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 ZINC000000001527 342669567 /nfs/dbraw/zinc/66/95/67/342669567.db2.gz MPYYVGIJHREDBO-XUJVJEKNSA-N 0 0 238.371 3.791 10 0 in-vitro BHAERN CC1(C)C=CN(C(=O)Nc2ccccc2)C=C1 ZINC000000002561 188271334 /nfs/dbraw/zinc/27/13/34/188271334.db2.gz KZZCSPWDFRPVBO-UHFFFAOYSA-N 0 0 228.295 3.588 10 0 BHAERN Clc1ccccc1Nc1nc2ccccc2[nH]1 ZINC000000003421 343371555 /nfs/dbraw/zinc/37/15/55/343371555.db2.gz YCZZPUSUALSVCO-UHFFFAOYSA-N 0 0 243.697 3.960 10 0 BHAERN Fc1ccc2c(/C=C/c3ccncc3)c[nH]c2c1 ZINC000000006369 180984645 /nfs/dbraw/zinc/98/46/45/180984645.db2.gz UJTBWNKRXRHIGU-OWOJBTEDSA-N 0 0 238.265 3.872 10 0 BHAERN c1ccc(CCNc2nccc3ccccc32)cc1 ZINC000000013167 183394571 /nfs/dbraw/zinc/39/45/71/183394571.db2.gz CLJQYDKIAPWZCK-UHFFFAOYSA-N 0 0 248.329 3.889 10 0 BHAERN Cc1sc(C)c2c1CCC[C@H]2c1c[nH]cn1 ZINC000000024133 180557037 /nfs/dbraw/zinc/55/70/37/180557037.db2.gz AOQYWVCOSJELMS-NSHDSACASA-N 0 0 232.352 3.556 10 0 BHAERN CCn1c(C)csc1=Nc1c(C)cccc1C ZINC000000073164 322809124 /nfs/dbraw/zinc/80/91/24/322809124.db2.gz NTZQTVXPHBTWOA-UHFFFAOYSA-O 0 0 247.387 3.724 10 0 BHAERN CCn1c(C)csc1=Nc1ccc(C)cc1C ZINC000000073243 342672789 /nfs/dbraw/zinc/67/27/89/342672789.db2.gz PTYUMQWCUAJPHG-UHFFFAOYSA-O 0 0 247.387 3.724 10 0 BHAERN Cc1cccc(Cl)c1NC1=NCCCS1 ZINC000000097571 179108461 /nfs/dbraw/zinc/10/84/61/179108461.db2.gz NNSHAKVORFANAO-UHFFFAOYSA-N 0 0 240.759 3.553 10 0 BHAERN COc1ccc2cc(-c3ccon3)ccc2c1 ZINC000000110338 175223946 /nfs/dbraw/zinc/22/39/46/175223946.db2.gz TYZXFXXKXPDBDS-UHFFFAOYSA-N 0 0 225.247 3.503 10 0 BHAERN O=[N+]([O-])/C(Cl)=C\c1cccc2ccccc12 ZINC000000162829 342678487 /nfs/dbraw/zinc/67/84/87/342678487.db2.gz MOLRZRMOKDVRCT-WQLSENKSSA-N 0 0 233.654 3.654 10 0 BHAERN O=[N+]([O-])/C(Cl)=C/c1cccc2ccccc12 ZINC000000162831 182918132 /nfs/dbraw/zinc/91/81/32/182918132.db2.gz MOLRZRMOKDVRCT-XYOKQWHBSA-N 0 0 233.654 3.654 10 0 BHAERN O=[N+]([O-])/C(Cl)=C\c1ccc2ccccc2c1 ZINC000000162835 342678413 /nfs/dbraw/zinc/67/84/13/342678413.db2.gz SLPAQKJHJMITCB-WQLSENKSSA-N 0 0 233.654 3.654 10 0 BHAERN O=[N+]([O-])/C(Cl)=C/c1ccc2ccccc2c1 ZINC000000162836 342678473 /nfs/dbraw/zinc/67/84/73/342678473.db2.gz SLPAQKJHJMITCB-XYOKQWHBSA-N 0 0 233.654 3.654 10 0 BHAERN Cc1ccccc1CC(=O)c1c[nH]c2ccccc12 ZINC000000163963 179260055 /nfs/dbraw/zinc/26/00/55/179260055.db2.gz BYXXHNKRXYNGTC-UHFFFAOYSA-N 0 0 249.313 3.902 10 0 BHAERN Cc1ccc(CC(=O)c2c[nH]c3ccccc23)cc1 ZINC000000163964 178523647 /nfs/dbraw/zinc/52/36/47/178523647.db2.gz VJNVUHKZEZLEFW-UHFFFAOYSA-N 0 0 249.313 3.902 10 0 BHAERN Cc1cccc(CC(=O)c2c[nH]c3ccccc23)c1 ZINC000000163965 179052850 /nfs/dbraw/zinc/05/28/50/179052850.db2.gz ZKLDGFWAOQJCAV-UHFFFAOYSA-N 0 0 249.313 3.902 10 0 BHAERN O=C(Sc1ccccc1)c1ccnc(Cl)c1 ZINC000000166753 344583590 /nfs/dbraw/zinc/58/35/90/344583590.db2.gz QWGGVXIHSWBEBK-UHFFFAOYSA-N 0 0 249.722 3.668 10 0 BHAERN CCn1c(=S)ccc2cc(C)ccc21 ZINC000000179460 172133189 /nfs/dbraw/zinc/13/31/89/172133189.db2.gz LDMVNONUSZSNAQ-UHFFFAOYSA-N 0 0 203.310 3.699 10 0 BHAERN Cc1cc2c(Cl)ccnc2cc1Cl ZINC000000179788 178278422 /nfs/dbraw/zinc/27/84/22/178278422.db2.gz UDZYKLVOEPUNBE-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Cc1ccc(/C=C2\c3cc(C)ccc3NC2=O)cc1 ZINC000000224464 178356674 /nfs/dbraw/zinc/35/66/74/178356674.db2.gz FLZXYOIZSWCWEK-XNTDXEJSSA-N 0 0 249.313 3.796 10 0 BHAERN CC(C)COc1ccc2[nH]c3c(c2c1)CCC3 ZINC000000299241 188272474 /nfs/dbraw/zinc/27/24/74/188272474.db2.gz KQTGVWUYLPPUJL-UHFFFAOYSA-N 0 0 229.323 3.691 10 0 BHAERN CC(=S)Nc1csc2ccccc12 ZINC000000320846 188099485 /nfs/dbraw/zinc/09/94/85/188099485.db2.gz DPRVMPVJSQMEBN-UHFFFAOYSA-N 0 0 207.323 3.661 10 0 BHAERN O=Cc1cc2c3ccccc3sc2s1 ZINC000000330067 384068722 /nfs/dbraw/zinc/06/87/22/384068722.db2.gz QUCLAZIZDCERPF-UHFFFAOYSA-N 0 0 218.302 3.929 10 0 BHAERN Oc1ccc(-c2cc3ccc(O)cc3o2)cc1 ZINC000000334865 183264780 /nfs/dbraw/zinc/26/47/80/183264780.db2.gz MBEIXIREHIPWPA-UHFFFAOYSA-N 0 0 226.231 3.511 10 0 BHAERN CC(=O)c1c(C)[nH]c(-c2ccccc2)c1C ZINC000000338587 187471969 /nfs/dbraw/zinc/47/19/69/187471969.db2.gz FICFGPGVKMGSFA-UHFFFAOYSA-N 0 0 213.280 3.501 10 0 BHAERN CC(C)(C)Nc1ccc(Br)cc1 ZINC000000345932 342684343 /nfs/dbraw/zinc/68/43/43/342684343.db2.gz XJQHZOAOQPUDOL-UHFFFAOYSA-N 0 0 228.133 3.660 10 0 BHAERN Cc1ccc(-c2cc(=O)c3ccccc3o2)s1 ZINC000000366991 178317230 /nfs/dbraw/zinc/31/72/30/178317230.db2.gz MBFNSWYSWVNKGZ-UHFFFAOYSA-N 0 0 242.299 3.830 10 0 BHAERN Cc1nc2ccc3sccc3c2s1 ZINC000000381257 180100723 /nfs/dbraw/zinc/10/07/23/180100723.db2.gz XQEBJSMVDWQORR-UHFFFAOYSA-N 0 0 205.307 3.819 10 0 BHAERN Cc1cc(Br)cc(C(C)(C)C)c1O ZINC000000391000 368546031 /nfs/dbraw/zinc/54/60/31/368546031.db2.gz DHUSVTCOXKDCAO-UHFFFAOYSA-N 0 0 243.144 3.761 10 0 BHAERN CC(=O)c1sccc1-c1ccccc1 ZINC000000480819 166492556 /nfs/dbraw/zinc/49/25/56/166492556.db2.gz KVNLGJFKFBLTAF-UHFFFAOYSA-N 0 0 202.278 3.618 10 0 BHAERN Cc1ccc(-c2n[nH]c(-c3ccccc3C)n2)cc1 ZINC000000505453 178331290 /nfs/dbraw/zinc/33/12/90/178331290.db2.gz QHLGMHWLIPIGPX-UHFFFAOYSA-N 0 0 249.317 3.756 10 0 BHAERN Cc1ccc(-c2n[nH]c(-c3ccc(C)cc3)n2)cc1 ZINC000000505462 178331283 /nfs/dbraw/zinc/33/12/83/178331283.db2.gz KYDWGGXKJMOOSM-UHFFFAOYSA-N 0 0 249.317 3.756 10 0 BHAERN Cc1ccc2c(c1)C=Nc1ccccc1O2 ZINC000000508564 346417244 /nfs/dbraw/zinc/41/72/44/346417244.db2.gz CFVCRVMKZQWJOB-UHFFFAOYSA-N 0 0 209.248 3.851 10 0 BHAERN Cc1ccc(Nc2[nH]c3ccccc3[nH+]2)c(C)c1 ZINC000000513018 385351837 /nfs/dbraw/zinc/35/18/37/385351837.db2.gz PVAOHYOCKSMFDC-UHFFFAOYSA-N 0 0 237.306 3.923 10 0 BHAERN CCCn1c2ccccc2nc1C(C)(C)C ZINC000000561414 169611372 /nfs/dbraw/zinc/61/13/72/169611372.db2.gz FCCMNIBAHJSWPQ-UHFFFAOYSA-N 0 0 216.328 3.744 10 0 BHAERN Cc1nc2cc(O)c3ccsc3c2s1 ZINC000000973771 180084306 /nfs/dbraw/zinc/08/43/06/180084306.db2.gz GUKGFKTXKHCRMQ-UHFFFAOYSA-N 0 0 221.306 3.525 10 0 BHAERN O=C1C[C@@H](c2ccccc2)Cc2ccccc21 ZINC000001006230 182777973 /nfs/dbraw/zinc/77/79/73/182777973.db2.gz HNDSZALVIVDDGH-AWEZNQCLSA-N 0 0 222.287 3.599 10 0 BHAERN O=C1C[C@H](c2ccccc2)Cc2ccccc21 ZINC000001006231 368607529 /nfs/dbraw/zinc/60/75/29/368607529.db2.gz HNDSZALVIVDDGH-CQSZACIVSA-N 0 0 222.287 3.599 10 0 BHAERN Cc1nc2sccc2c(Oc2ccccc2)n1 ZINC000001016374 180028642 /nfs/dbraw/zinc/02/86/42/180028642.db2.gz LAVLGTCEKZOBNX-UHFFFAOYSA-N 0 0 242.303 3.792 10 0 BHAERN CC(=O)CSCc1csc2ccccc12 ZINC000001046198 383889392 /nfs/dbraw/zinc/88/93/92/383889392.db2.gz OKYZHAGHBCPHES-UHFFFAOYSA-N 0 0 236.361 3.724 10 0 BHAERN CCc1cccc(-c2cccc(C=O)c2)c1 ZINC000001256627 592017745 /nfs/dbraw/zinc/01/77/45/592017745.db2.gz RYEGQYHHSKUFPM-UHFFFAOYSA-N 0 0 210.276 3.729 10 0 BHAERN CCc1ccccc1-c1cccc(C=O)c1 ZINC000001256646 537828900 /nfs/dbraw/zinc/82/89/00/537828900.db2.gz ZOOAAZIWLREDQR-UHFFFAOYSA-N 0 0 210.276 3.729 10 0 BHAERN CCc1ccc(-c2ccccc2C=O)cc1 ZINC000001256993 592018081 /nfs/dbraw/zinc/01/80/81/592018081.db2.gz ZRXWAYHFECPUIA-UHFFFAOYSA-N 0 0 210.276 3.729 10 0 BHAERN CCOc1ccc(-c2ccc(C=O)cc2)cc1 ZINC000001257398 342698447 /nfs/dbraw/zinc/69/84/47/342698447.db2.gz YRVPKFTZRRAJOG-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN CSc1ccc(-c2ccccc2CO)cc1 ZINC000001258397 360999420 /nfs/dbraw/zinc/99/94/20/360999420.db2.gz FXZYDEZLTDDZSA-UHFFFAOYSA-N 0 0 230.332 3.568 10 0 BHAERN CCc1cccc(-c2ccccc2C=O)c1 ZINC000001258562 592021205 /nfs/dbraw/zinc/02/12/05/592021205.db2.gz KLFIWYGJOYDDJG-UHFFFAOYSA-N 0 0 210.276 3.729 10 0 BHAERN CCc1ccccc1-c1ccccc1C=O ZINC000001259371 537829186 /nfs/dbraw/zinc/82/91/86/537829186.db2.gz GVFOYZFQCHLLDO-UHFFFAOYSA-N 0 0 210.276 3.729 10 0 BHAERN CCc1ccccc1-c1ccc(C=O)cc1 ZINC000001259572 537827785 /nfs/dbraw/zinc/82/77/85/537827785.db2.gz IHICWRCGBPSQBK-UHFFFAOYSA-N 0 0 210.276 3.729 10 0 BHAERN CCc1cccc(-c2ccc(C=O)cc2)c1 ZINC000001260009 592020533 /nfs/dbraw/zinc/02/05/33/592020533.db2.gz KBDPBZXXWXAPKY-UHFFFAOYSA-N 0 0 210.276 3.729 10 0 BHAERN CCOc1ccc(-c2cccc(C=O)c2)cc1 ZINC000001260335 541495829 /nfs/dbraw/zinc/49/58/29/541495829.db2.gz NJFZHUZSOOLIFA-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN CCc1ccc(-c2ccc(C(=O)OC)cc2)cc1 ZINC000001260631 353114032 /nfs/dbraw/zinc/11/40/32/353114032.db2.gz AFAQTHCQUZLSPN-UHFFFAOYSA-N 0 0 240.302 3.703 10 0 BHAERN Cc1cccc([C@H](O)C2CCCCC2)c1C ZINC000001436385 179201845 /nfs/dbraw/zinc/20/18/45/179201845.db2.gz GUPPQAKVFDZJLO-OAHLLOKOSA-N 0 0 218.340 3.917 10 0 BHAERN Cc1cccc([C@@H](O)C2CCCCC2)c1C ZINC000001436386 179187073 /nfs/dbraw/zinc/18/70/73/179187073.db2.gz GUPPQAKVFDZJLO-HNNXBMFYSA-N 0 0 218.340 3.917 10 0 BHAERN CCc1nc2ccccc2n1C[C@@H](C)CC ZINC000001473039 172014005 /nfs/dbraw/zinc/01/40/05/172014005.db2.gz YMMBUAWDLIGWLD-NSHDSACASA-N 0 0 216.328 3.645 10 0 BHAERN CCc1nc2ccccc2n1C[C@H](C)CC ZINC000001473040 172013154 /nfs/dbraw/zinc/01/31/54/172013154.db2.gz YMMBUAWDLIGWLD-LLVKDONJSA-N 0 0 216.328 3.645 10 0 BHAERN CC1=C[C@H]2[C@@H](CC1)[C@](C)(O)CCCC2(C)C ZINC000001482084 560180724 /nfs/dbraw/zinc/18/07/24/560180724.db2.gz BBAMLNIPVMLTSQ-VNHYZAJKSA-N 0 0 222.372 3.920 10 0 biogenic,in-vitro BHAERN O=Cc1ccc(Sc2cccs2)s1 ZINC000001500980 355900686 /nfs/dbraw/zinc/90/06/86/355900686.db2.gz OXJQIDBGTFZQGW-UHFFFAOYSA-N 0 0 226.347 3.773 10 0 BHAERN CC(C)(C)n1cc(-c2ccc(Cl)cc2)cn1 ZINC000001504615 187409127 /nfs/dbraw/zinc/40/91/27/187409127.db2.gz GLWBWMXECZIFDK-UHFFFAOYSA-N 0 0 234.730 3.959 10 0 BHAERN COc1ccc2c(ccn2Cc2ccccc2)c1 ZINC000001511953 175222921 /nfs/dbraw/zinc/22/29/21/175222921.db2.gz FVYMUZIXDYHMMM-UHFFFAOYSA-N 0 0 237.302 3.698 10 0 BHAERN Cc1cccc2oc(-c3cccc(N)c3C)nc21 ZINC000001514422 188273599 /nfs/dbraw/zinc/27/35/99/188273599.db2.gz KSESFZXKDMKXQQ-UHFFFAOYSA-N 0 0 238.290 3.694 10 0 BHAERN CC(C)(C)c1cc2cc(F)cc(F)c2[nH]1 ZINC000001516809 188159439 /nfs/dbraw/zinc/15/94/39/188159439.db2.gz WMNQDTBFOSOKTL-UHFFFAOYSA-N 0 0 209.239 3.744 10 0 BHAERN Fc1cccc2cc(-c3ccccc3)[nH]c21 ZINC000001517341 181008138 /nfs/dbraw/zinc/00/81/38/181008138.db2.gz XFAVHQMFAGPJLK-UHFFFAOYSA-N 0 0 211.239 3.974 10 0 BHAERN Clc1ccc2[nH]c(-c3cccnc3)cc2c1 ZINC000001518029 346448493 /nfs/dbraw/zinc/44/84/93/346448493.db2.gz SNPNAOWXXDCGET-UHFFFAOYSA-N 0 0 228.682 3.883 10 0 BHAERN COc1ccc2[nH]c(-c3cccs3)cc2c1 ZINC000001518825 342702479 /nfs/dbraw/zinc/70/24/79/342702479.db2.gz WAZHCCLTJCAOQG-UHFFFAOYSA-N 0 0 229.304 3.905 10 0 BHAERN Clc1ccc(-c2cscn2)s1 ZINC000001520227 180577429 /nfs/dbraw/zinc/57/74/29/180577429.db2.gz XFSYNABWXBNTFR-UHFFFAOYSA-N 0 0 201.703 3.525 10 0 BHAERN Brc1ccc(-c2cscn2)s1 ZINC000001520228 166098274 /nfs/dbraw/zinc/09/82/74/166098274.db2.gz SDNVZJOQVSBHQL-UHFFFAOYSA-N 0 0 246.154 3.634 10 0 BHAERN Cc1ccn2c(C=O)c(C3CCCCC3)nc2c1 ZINC000001527688 583477302 /nfs/dbraw/zinc/47/73/02/583477302.db2.gz PCLNIUJOJDIXMG-UHFFFAOYSA-N 0 0 242.322 3.503 10 0 BHAERN Cc1ccc2nc(C3CCCCC3)c(C=O)n2c1 ZINC000001527930 587689978 /nfs/dbraw/zinc/68/99/78/587689978.db2.gz MASAIMRZTVBBMJ-UHFFFAOYSA-N 0 0 242.322 3.503 10 0 BHAERN CCCC[C@](C)(C(=O)OCC)c1ccccc1 ZINC000001556051 356702478 /nfs/dbraw/zinc/70/24/78/356702478.db2.gz OSAYEMUXOCSQHR-HNNXBMFYSA-N 0 0 234.339 3.698 10 0 BHAERN CC(C)[C@H](O)c1ccc2ccccc2c1 ZINC000001557506 517475982 /nfs/dbraw/zinc/47/59/82/517475982.db2.gz TVQIYBXLEMWNBF-AWEZNQCLSA-N 0 0 200.281 3.529 10 0 BHAERN CCOP(=O)(Nc1ccc(C)cc1)OCC ZINC000001558415 368647349 /nfs/dbraw/zinc/64/73/49/368647349.db2.gz FIIBYAQZDZHGJM-UHFFFAOYSA-N 0 0 243.243 3.588 10 0 BHAERN c1ccc(-c2ncnc3c2Cc2ccccc2-3)cc1 ZINC000001564476 368648553 /nfs/dbraw/zinc/64/85/53/368648553.db2.gz IOAYYZTUGLZKJK-UHFFFAOYSA-N 0 0 244.297 3.715 10 0 BHAERN CC(C)C[C@](C)(O)CCCc1ccccc1 ZINC000001566573 187409253 /nfs/dbraw/zinc/40/92/53/187409253.db2.gz IJWOWSGFGGEZAE-OAHLLOKOSA-N 0 0 220.356 3.806 10 0 BHAERN CCOCc1ccc(OCc2ccccc2)cc1 ZINC000001572572 383905264 /nfs/dbraw/zinc/90/52/64/383905264.db2.gz MCQXUJXNSPRJNK-UHFFFAOYSA-N 0 0 242.318 3.802 10 0 BHAERN CCCC[C@](C)(O)c1ccc(Cl)cc1 ZINC000001597490 169015226 /nfs/dbraw/zinc/01/52/26/169015226.db2.gz HTMWKZDTUAJUCG-LBPRGKRZSA-N 0 0 212.720 3.738 10 0 BHAERN CC[C@@](C)(O)Cc1ccc(Cl)cc1Cl ZINC000001597491 171187250 /nfs/dbraw/zinc/18/72/50/171187250.db2.gz HDUZWRGYDLZOJU-LLVKDONJSA-N 0 0 233.138 3.697 10 0 BHAERN CC[C@@](C)(O)Cc1ccc(Cl)c(Cl)c1 ZINC000001597492 171187304 /nfs/dbraw/zinc/18/73/04/171187304.db2.gz FXZLWBOXRBJCKQ-LLVKDONJSA-N 0 0 233.138 3.697 10 0 BHAERN Cc1ccccc1-c1cc2ccccn2c1 ZINC000001598304 179235570 /nfs/dbraw/zinc/23/55/70/179235570.db2.gz XUKHEQMAYCHAGO-UHFFFAOYSA-N 0 0 207.276 3.915 10 0 BHAERN COc1ccc(COCc2ccc(C)cc2)cc1 ZINC000001600248 175114369 /nfs/dbraw/zinc/11/43/69/175114369.db2.gz HMGFRRJELSTTGM-UHFFFAOYSA-N 0 0 242.318 3.720 10 0 BHAERN Cc1c(Cl)cc(Cl)c2ncccc12 ZINC000001606205 177596781 /nfs/dbraw/zinc/59/67/81/177596781.db2.gz GRAUOVRJUHWLGC-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Cc1ccc([C@]2(C)CC[C@@H]3C[C@@]32C)c(O)c1 ZINC000001611823 560183015 /nfs/dbraw/zinc/18/30/15/560183015.db2.gz XQATUTRQDIODTL-UGFHNGPFSA-N 0 0 216.324 3.778 10 0 in-vitro BHAERN Nc1ccc(CSc2ccccc2)cc1F ZINC000001614801 181707424 /nfs/dbraw/zinc/70/74/24/181707424.db2.gz RWUZCXMBCFZMSD-UHFFFAOYSA-N 0 0 233.311 3.700 10 0 BHAERN COc1ccc2[nH]c3ccc(C)cc3c2c1 ZINC000001615143 175201984 /nfs/dbraw/zinc/20/19/84/175201984.db2.gz GQGQTPKMCGBOKG-UHFFFAOYSA-N 0 0 211.264 3.638 10 0 BHAERN Nc1c(Cl)cccc1-c1c[nH]cc1Cl ZINC000001625088 368662969 /nfs/dbraw/zinc/66/29/69/368662969.db2.gz RWAXAHFFXZKMPA-UHFFFAOYSA-N 0 0 227.094 3.571 10 0 in-vitro BHAERN C[C@H](O)c1c(Cl)ccc2ccccc21 ZINC000001628175 177016052 /nfs/dbraw/zinc/01/60/52/177016052.db2.gz RBMUFIBFLOCDCY-QMMMGPOBSA-N 0 0 206.672 3.547 10 0 BHAERN C[C@@]12CCCCC1=C(F)C(F)(F)S2 ZINC000001639468 176549724 /nfs/dbraw/zinc/54/97/24/176549724.db2.gz XUQQKAFRTLETGP-MRVPVSSYSA-N 0 0 208.248 3.882 10 0 BHAERN COc1ccc2[nH]c3c(c2c1)CCc1ccccc1-3 ZINC000001651446 175201563 /nfs/dbraw/zinc/20/15/63/175201563.db2.gz YMVQDBCEOLIEPZ-UHFFFAOYSA-N 0 0 249.313 3.942 10 0 BHAERN Nc1ccc(-c2nc3ccccc3s2)cc1F ZINC000001655289 368672950 /nfs/dbraw/zinc/67/29/50/368672950.db2.gz YPMSJWNNIBRQDS-UHFFFAOYSA-N 0 0 244.294 3.685 10 0 BHAERN OC1(c2cc3ccccc3s2)CCCC1 ZINC000001657607 342707254 /nfs/dbraw/zinc/70/72/54/342707254.db2.gz FATJSSJWAUUMFH-UHFFFAOYSA-N 0 0 218.321 3.663 10 0 BHAERN Nc1ccc(-c2nc3cc(F)ccc3s2)cc1 ZINC000001658263 342707394 /nfs/dbraw/zinc/70/73/94/342707394.db2.gz JRGMCDOYPGMMEE-UHFFFAOYSA-N 0 0 244.294 3.685 10 0 BHAERN CNc1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000001659651 388432416 /nfs/dbraw/zinc/43/24/16/388432416.db2.gz HAPZOPZONJFLJA-UHFFFAOYSA-N 0 0 238.290 3.845 10 0 BHAERN Cc1c2ccccc2c(=O)oc1-c1ccccc1 ZINC000001663194 188097329 /nfs/dbraw/zinc/09/73/29/188097329.db2.gz UMAAMPIWXTXNEU-UHFFFAOYSA-N 0 0 236.270 3.768 10 0 BHAERN Oc1ccc(-c2nc3ccc(F)cc3s2)cc1 ZINC000001663735 183266222 /nfs/dbraw/zinc/26/62/22/183266222.db2.gz UNIRBRVDTSZVDL-UHFFFAOYSA-N 0 0 245.278 3.808 10 0 BHAERN Cc1cccc2sc(-c3ccc(O)cc3)nc21 ZINC000001663742 179234680 /nfs/dbraw/zinc/23/46/80/179234680.db2.gz IUVRSKMCOARMJW-UHFFFAOYSA-N 0 0 241.315 3.977 10 0 BHAERN CCCCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000001664327 574411358 /nfs/dbraw/zinc/41/13/58/574411358.db2.gz ILUAVCBOWYHFAI-YWPYICTPSA-N 0 0 238.371 3.935 10 0 endogenous,in-man BHAERN CCC(=O)C(c1ccccc1)c1ccccc1 ZINC000001671408 168196760 /nfs/dbraw/zinc/19/67/60/168196760.db2.gz QVOFDZINRNBPOP-UHFFFAOYSA-N 0 0 224.303 3.798 10 0 BHAERN Fc1cccc2ccc(Br)cc12 ZINC000001673903 181008248 /nfs/dbraw/zinc/00/82/48/181008248.db2.gz WEEKQYGCPGZKSV-UHFFFAOYSA-N 0 0 225.060 3.741 10 0 BHAERN O=C(c1ccccc1)C1CCCCCC1 ZINC000001674009 182675449 /nfs/dbraw/zinc/67/54/49/182675449.db2.gz MYLYAKWBAWDOTR-UHFFFAOYSA-N 0 0 202.297 3.840 10 0 BHAERN CC[C@@H](CCCc1ccncc1)c1ccncc1 ZINC000001685163 383923786 /nfs/dbraw/zinc/92/37/86/383923786.db2.gz QRDFPOVBSQVVLU-HNNXBMFYSA-N 0 0 240.350 3.993 10 0 BHAERN CCCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000001685819 574411427 /nfs/dbraw/zinc/41/14/27/574411427.db2.gz VIPNQHBVIDJXJE-COPLHBTASA-N 0 0 224.344 3.545 10 0 endogenous,in-man BHAERN FC(F)(F)c1ccc(N2CCCCC2)cc1 ZINC000001688547 132308571 /nfs/dbraw/zinc/30/85/71/132308571.db2.gz URGBNJOCJKXBFP-UHFFFAOYSA-N 0 0 229.245 3.696 10 0 BHAERN CC(=O)[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001693838 187245502 /nfs/dbraw/zinc/24/55/02/187245502.db2.gz KRERHUQWKGOMOX-MRXNPFEDSA-N 0 0 224.303 3.602 10 0 BHAERN CC(C)c1c(Cl)nc(Cl)nc1Cl ZINC000001694095 342709736 /nfs/dbraw/zinc/70/97/36/342709736.db2.gz YVPSTWNQGHUOJP-UHFFFAOYSA-N 0 0 225.506 3.560 10 0 BHAERN CC(C)c1nc(Cl)c(Cl)c(Cl)n1 ZINC000001694099 167667611 /nfs/dbraw/zinc/66/76/11/167667611.db2.gz ATGYGVVUZSGNKF-UHFFFAOYSA-N 0 0 225.506 3.560 10 0 BHAERN CC(C)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000001694875 166775813 /nfs/dbraw/zinc/77/58/13/166775813.db2.gz MPYYVGIJHREDBO-SLEUVZQESA-N 0 0 238.371 3.791 10 0 endogenous,in-man BHAERN c1ccc2c(c1)[nH]c1c2Cc2ccccc2CC1 ZINC000001698835 368683429 /nfs/dbraw/zinc/68/34/29/368683429.db2.gz FOGISDRCHADTIM-UHFFFAOYSA-N 0 0 233.314 3.857 10 0 BHAERN Cc1ccc(C)c2c(C)cc(Cl)nc12 ZINC000001701654 357166020 /nfs/dbraw/zinc/16/60/20/357166020.db2.gz IPWYXJMZXVIHSF-UHFFFAOYSA-N 0 0 205.688 3.813 10 0 BHAERN Cc1ccc(C(C)C)c2cc(C=O)c(O)cc12 ZINC000001704557 560184093 /nfs/dbraw/zinc/18/40/93/560184093.db2.gz CHHSYJHKOZHOAY-UHFFFAOYSA-N 0 0 228.291 3.790 10 0 biogenic,in-vitro BHAERN Clc1ccc([C@@H]2ON2C2CCCCC2)cc1 ZINC000001705853 180586100 /nfs/dbraw/zinc/58/61/00/180586100.db2.gz PKELZJCVGQJKAN-CFMCSPIPSA-N 0 0 237.730 3.919 10 0 BHAERN Cc1cccc(OC(=O)Nc2ccccc2)c1 ZINC000001708343 179161761 /nfs/dbraw/zinc/16/17/61/179161761.db2.gz IUJLCICKONIXKE-UHFFFAOYSA-N 0 0 227.263 3.606 10 0 BHAERN CCN(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000001713940 560184343 /nfs/dbraw/zinc/18/43/43/560184343.db2.gz QHULOZHOGAMTGE-UHFFFAOYSA-N 0 0 246.741 3.762 10 0 in-vitro BHAERN CC1=CC(C)(C)Nc2ccc3cccnc3c21 ZINC000001723093 342711222 /nfs/dbraw/zinc/71/12/22/342711222.db2.gz ZYGMNYOQVUCXTK-UHFFFAOYSA-N 0 0 224.307 3.842 10 0 BHAERN c1ccc2c(c1)[nH]c1c2-c2ccccc2CC1 ZINC000001724664 183447744 /nfs/dbraw/zinc/44/77/44/183447744.db2.gz OQTPUPBFASAWRJ-UHFFFAOYSA-N 0 0 219.287 3.934 10 0 BHAERN CSc1ccc2c(c1)-c1ccccc1C2=O ZINC000001726006 342711331 /nfs/dbraw/zinc/71/13/31/342711331.db2.gz VNHJHPBFNUNLJB-UHFFFAOYSA-N 0 0 226.300 3.620 10 0 BHAERN ClC12CCC(Cl)(CC1)C2(Cl)Cl ZINC000001727601 342711474 /nfs/dbraw/zinc/71/14/74/342711474.db2.gz JDFMVJKUSUTYLJ-UHFFFAOYSA-N 0 0 233.953 3.703 10 0 BHAERN Clc1cccc(NCCc2ccccc2)c1 ZINC000001729256 582458823 /nfs/dbraw/zinc/45/88/23/582458823.db2.gz XDTMMCQOYPEAJM-UHFFFAOYSA-N 0 0 231.726 3.995 10 0 BHAERN CC1=CC[C@@]2(C)CC[C@H](C(C)C)[C@@]2(O)CC1 ZINC000001729384 168120945 /nfs/dbraw/zinc/12/09/45/168120945.db2.gz XZYQCFABZDVOPN-ILXRZTDVSA-N 0 0 222.372 3.920 10 0 biogenic,in-vitro BHAERN CCOC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000001730836 170243477 /nfs/dbraw/zinc/24/34/77/170243477.db2.gz KSKOOPBEVJPERT-LLVKDONJSA-N 0 0 243.306 3.647 10 0 BHAERN Nc1cccc(OCCCCc2ccccc2)c1 ZINC000001749512 181747680 /nfs/dbraw/zinc/74/76/80/181747680.db2.gz BKRFNKBPFZWDPA-UHFFFAOYSA-N 0 0 241.334 3.671 10 0 BHAERN C(=C/C1SCCCS1)\c1ccccc1 ZINC000001764079 166226101 /nfs/dbraw/zinc/22/61/01/166226101.db2.gz UOZNYAIYXGTVKD-BQYQJAHWSA-N 0 0 222.378 3.896 10 0 BHAERN OCCC=C(c1ccccc1)c1ccccc1 ZINC000001765754 342712542 /nfs/dbraw/zinc/71/25/42/342712542.db2.gz UBANMBZEKVAWEK-UHFFFAOYSA-N 0 0 224.303 3.501 10 0 BHAERN CC(=O)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000001766841 187245540 /nfs/dbraw/zinc/24/55/40/187245540.db2.gz HZIAUPWBCOWHDF-KGLIPLIRSA-N 0 0 202.297 3.549 10 0 BHAERN CC(=O)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000001766843 188274250 /nfs/dbraw/zinc/27/42/50/188274250.db2.gz HZIAUPWBCOWHDF-KBPBESRZSA-N 0 0 202.297 3.549 10 0 BHAERN CC(=O)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000001766845 188274045 /nfs/dbraw/zinc/27/40/45/188274045.db2.gz HZIAUPWBCOWHDF-ZIAGYGMSSA-N 0 0 202.297 3.549 10 0 BHAERN CC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000001766847 358448664 /nfs/dbraw/zinc/44/86/64/358448664.db2.gz HZIAUPWBCOWHDF-UONOGXRCSA-N 0 0 202.297 3.549 10 0 BHAERN CC(C)N1N=C(c2ccccc2)SC1(C)C ZINC000001828178 167035517 /nfs/dbraw/zinc/03/55/17/167035517.db2.gz XUVHSKXUHBXKON-UHFFFAOYSA-N 0 0 234.368 3.542 10 0 BHAERN C/C=C/C(=O)OCC[C@@H](C)CCC=C(C)C ZINC000001843684 187245506 /nfs/dbraw/zinc/24/55/06/187245506.db2.gz MYGZJMACIRJNPL-IYNGYCSASA-N 0 0 224.344 3.878 10 0 BHAERN CCOP(=O)(Nc1ccccc1C)OCC ZINC000001847253 342712807 /nfs/dbraw/zinc/71/28/07/342712807.db2.gz PJGXRQVGCGHZPY-UHFFFAOYSA-N 0 0 243.243 3.588 10 0 BHAERN CCCCOc1ccc(OCCCC)c(N)c1 ZINC000001847722 187584386 /nfs/dbraw/zinc/58/43/86/187584386.db2.gz KGHVJZBVGOZVPN-UHFFFAOYSA-N 0 0 237.343 3.627 10 0 BHAERN CC1(C)C[C@H]2[C@@H]1CC[C@]1(C)CCC[C@@]2(O)C1 ZINC000001850972 574411656 /nfs/dbraw/zinc/41/16/56/574411656.db2.gz FUQAYSQLAOJBBC-NZBPQXDJSA-N 0 0 222.372 3.754 10 0 endogenous,in-man BHAERN CC(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000001851053 342713116 /nfs/dbraw/zinc/71/31/16/342713116.db2.gz MPYYVGIJHREDBO-YWPYICTPSA-N 0 0 238.371 3.791 10 0 endogenous,in-man BHAERN Oc1ccc2c(c1)Sc1ccccc1N2 ZINC000001995104 183281617 /nfs/dbraw/zinc/28/16/17/183281617.db2.gz JAMWHXUWMDVHJF-UHFFFAOYSA-N 0 0 215.277 3.600 10 0 BHAERN Oc1ccc2cc(Cl)ccc2c1Cl ZINC000001998875 183284035 /nfs/dbraw/zinc/28/40/35/183284035.db2.gz YUCXHHWEDKATAI-UHFFFAOYSA-N 0 0 213.063 3.852 10 0 BHAERN O[C@@H](c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000002000466 183185953 /nfs/dbraw/zinc/18/59/53/183185953.db2.gz MQINXSLAFBQJMF-PMPSAXMXSA-N 0 0 224.303 3.524 10 0 BHAERN CCOC(=O)N(CC)c1cccc2ccccc21 ZINC000002000594 170238807 /nfs/dbraw/zinc/23/88/07/170238807.db2.gz WJJMHXJWKUMPKT-UHFFFAOYSA-N 0 0 243.306 3.823 10 0 BHAERN CC1(/C=C/c2ccccc2)SCCS1 ZINC000002002124 187241632 /nfs/dbraw/zinc/24/16/32/187241632.db2.gz QISXAAMXSFLABQ-BQYQJAHWSA-N 0 0 222.378 3.896 10 0 BHAERN Cc1cc(SC(=O)CC(C)C)c(C)o1 ZINC000002002623 178218133 /nfs/dbraw/zinc/21/81/33/178218133.db2.gz XFNLWIPNTYNNJX-UHFFFAOYSA-N 0 0 212.314 3.561 10 0 endogenous,in-man BHAERN COc1cc(Cl)c(Cl)c(Cl)c1 ZINC000002003298 359680957 /nfs/dbraw/zinc/68/09/57/359680957.db2.gz GUCFBWGWRCILHN-UHFFFAOYSA-N 0 0 211.475 3.655 10 0 BHAERN Cc1cccc(C)c1C(=O)c1ccccc1 ZINC000002004366 179033768 /nfs/dbraw/zinc/03/37/68/179033768.db2.gz HBPDHOUFKMTSHG-UHFFFAOYSA-N 0 0 210.276 3.534 10 0 BHAERN CC1=CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000002005228 168104408 /nfs/dbraw/zinc/10/44/08/168104408.db2.gz FCSRUSQUAVXUKK-VNHYZAJKSA-N 0 0 222.372 3.920 10 0 biogenic,in-vitro BHAERN Nc1ccc2sc(-c3ccccc3)nc2c1 ZINC000002006185 342714266 /nfs/dbraw/zinc/71/42/66/342714266.db2.gz GPBQVPZBUKXEJQ-UHFFFAOYSA-N 0 0 226.304 3.546 10 0 BHAERN Cc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002010335 178662513 /nfs/dbraw/zinc/66/25/13/178662513.db2.gz MEILSOQVXNYFTC-UHFFFAOYSA-N 0 0 230.694 3.879 10 0 BHAERN Cc1ccc(C(=O)c2ccc(C)c(C)c2)cc1 ZINC000002014285 187245458 /nfs/dbraw/zinc/24/54/58/187245458.db2.gz CTOQAPOYDHMANL-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN COc1ccc(C2SCCCS2)cc1 ZINC000002014537 175086032 /nfs/dbraw/zinc/08/60/32/175086032.db2.gz INEZXIFHJBJBRB-UHFFFAOYSA-N 0 0 226.366 3.564 10 0 BHAERN O=C(c1ccc2ccccc2c1)C(F)(F)Cl ZINC000002014813 359725107 /nfs/dbraw/zinc/72/51/07/359725107.db2.gz JMMRIMKVQGRGGO-UHFFFAOYSA-N 0 0 240.636 3.854 10 0 BHAERN C[C@]12CCCCC1=C(F)C(F)(F)S2 ZINC000002020817 177483045 /nfs/dbraw/zinc/48/30/45/177483045.db2.gz XUQQKAFRTLETGP-QMMMGPOBSA-N 0 0 208.248 3.882 10 0 BHAERN Clc1ccccc1C#Cc1ccccc1 ZINC000002023705 355777068 /nfs/dbraw/zinc/77/70/68/355777068.db2.gz IUGPZGPRLHJZAW-UHFFFAOYSA-N 0 0 212.679 3.740 10 0 BHAERN OCCCCCCCCCCc1ccncc1 ZINC000002028912 342714623 /nfs/dbraw/zinc/71/46/23/342714623.db2.gz XHPPNRHZGIBAKN-UHFFFAOYSA-N 0 0 235.371 3.737 10 0 BHAERN CC(C)[C@@H](O)c1ccc2ccccc2c1 ZINC000002031849 167460800 /nfs/dbraw/zinc/46/08/00/167460800.db2.gz TVQIYBXLEMWNBF-CQSZACIVSA-N 0 0 200.281 3.529 10 0 BHAERN C(=C/C1SCCS1)\c1ccccc1 ZINC000002037136 166225399 /nfs/dbraw/zinc/22/53/99/166225399.db2.gz ITTGPONHZMGPAN-VOTSOKGWSA-N 0 0 208.351 3.506 10 0 BHAERN Nc1cccc2c(Cl)ccc(Cl)c12 ZINC000002038620 342715062 /nfs/dbraw/zinc/71/50/62/342715062.db2.gz XRUHWPCWXZKWDO-UHFFFAOYSA-N 0 0 212.079 3.729 10 0 BHAERN CCCCCCS(=O)CCCCCC ZINC000002038817 360435226 /nfs/dbraw/zinc/43/52/26/360435226.db2.gz DLEXINLCPPEMMI-UHFFFAOYSA-N 0 0 218.406 3.896 10 0 BHAERN Clc1cc(Cl)c(Cl)c2nsnc21 ZINC000002039033 180574626 /nfs/dbraw/zinc/57/46/26/180574626.db2.gz SZYWFOPNFNROQB-UHFFFAOYSA-N 0 0 239.514 3.652 10 0 BHAERN CC(C)(C)c1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000002039093 187584481 /nfs/dbraw/zinc/58/44/81/187584481.db2.gz FTIXUILRMBSXNS-CABCVRRESA-N 0 0 248.366 3.666 10 0 BHAERN CC(C)(C)c1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000002039094 342715092 /nfs/dbraw/zinc/71/50/92/342715092.db2.gz FTIXUILRMBSXNS-HUUCEWRRSA-N 0 0 248.366 3.666 10 0 BHAERN CC(C)(C)c1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000002039095 342715160 /nfs/dbraw/zinc/71/51/60/342715160.db2.gz FTIXUILRMBSXNS-GJZGRUSLSA-N 0 0 248.366 3.666 10 0 BHAERN CC(C)(C)c1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000002039096 187245408 /nfs/dbraw/zinc/24/54/08/187245408.db2.gz FTIXUILRMBSXNS-LSDHHAIUSA-N 0 0 248.366 3.666 10 0 BHAERN C[C@@H](O)c1c(Cl)ccc2ccccc21 ZINC000002041976 342715101 /nfs/dbraw/zinc/71/51/01/342715101.db2.gz RBMUFIBFLOCDCY-MRVPVSSYSA-N 0 0 206.672 3.547 10 0 BHAERN CCC(CC)[C@@H](O)Cc1ccc(Cl)cc1 ZINC000002042056 168401784 /nfs/dbraw/zinc/40/17/84/168401784.db2.gz RRNAZICCXJBKND-ZDUSSCGKSA-N 0 0 226.747 3.680 10 0 BHAERN CC(=O)[C@H](Cc1ccccc1)c1ccccc1 ZINC000002043683 360487738 /nfs/dbraw/zinc/48/77/38/360487738.db2.gz KRERHUQWKGOMOX-INIZCTEOSA-N 0 0 224.303 3.602 10 0 BHAERN CCCOc1ccc(-c2ccccc2C=O)cc1 ZINC000002127735 169316493 /nfs/dbraw/zinc/31/64/93/169316493.db2.gz UFZWZSJNSUBRCF-UHFFFAOYSA-N 0 0 240.302 3.955 10 0 BHAERN CCCOc1ccc(-c2cccc(C=O)c2)cc1 ZINC000002127770 169316740 /nfs/dbraw/zinc/31/67/40/169316740.db2.gz IDHAROBSEYLIAM-UHFFFAOYSA-N 0 0 240.302 3.955 10 0 BHAERN CCCOc1ccc(-c2ccc(C=O)cc2)cc1 ZINC000002136164 169316109 /nfs/dbraw/zinc/31/61/09/169316109.db2.gz CKJCEVYXIFNFMV-UHFFFAOYSA-N 0 0 240.302 3.955 10 0 BHAERN CC(C)OC(=O)Nc1ccccc1C(F)(F)F ZINC000002147292 167166574 /nfs/dbraw/zinc/16/65/74/167166574.db2.gz JEHIXFNSTZXNAY-UHFFFAOYSA-N 0 0 247.216 3.662 10 0 BHAERN CC(=O)c1sc(C(C)(C)C)cc1Cl ZINC000002243761 383955494 /nfs/dbraw/zinc/95/54/94/383955494.db2.gz FUDJKPCRJNFIIP-UHFFFAOYSA-N 0 0 216.733 3.902 10 0 BHAERN Cc1c(C)c(C)c(C(=O)C(F)(F)F)c(C)c1C ZINC000002378568 370276236 /nfs/dbraw/zinc/27/62/36/370276236.db2.gz SMEOMNQIONZAKD-UHFFFAOYSA-N 0 0 244.256 3.974 10 0 BHAERN CC(=O)O[C@@H](C)/C=C/[C@H]1C(C)=CCCC1(C)C ZINC000002384596 187756537 /nfs/dbraw/zinc/75/65/37/187756537.db2.gz WHHAWKIPTSGTNC-DENSBJQYSA-N 0 0 236.355 3.877 10 0 BHAERN CC[C@@H](O)/C=C/[C@H]1C(C)=CCCC1(C)C ZINC000002384602 342719467 /nfs/dbraw/zinc/71/94/67/342719467.db2.gz WALHLZRJZMVZCZ-VSONXHSHSA-N 0 0 208.345 3.696 10 0 BHAERN Fc1ccccc1C1SCCCS1 ZINC000002385288 181010355 /nfs/dbraw/zinc/01/03/55/181010355.db2.gz NSBGJIWOKGWANC-UHFFFAOYSA-N 0 0 214.330 3.694 10 0 BHAERN CC(=O)c1ccc(-c2ccc(C)cc2)s1 ZINC000002385696 166449808 /nfs/dbraw/zinc/44/98/08/166449808.db2.gz GYAJRBAUAZXLLC-UHFFFAOYSA-N 0 0 216.305 3.926 10 0 BHAERN CCOc1ccccc1Cc1ccsc1 ZINC000002392489 170593857 /nfs/dbraw/zinc/59/38/57/170593857.db2.gz BCCGVBGGUDXADF-UHFFFAOYSA-N 0 0 218.321 3.738 10 0 BHAERN CCOc1ccc(Cc2ccsc2)cc1 ZINC000002392491 342720112 /nfs/dbraw/zinc/72/01/12/342720112.db2.gz MLROQYRWKXQUOD-UHFFFAOYSA-N 0 0 218.321 3.738 10 0 BHAERN CCCC(CCC)c1nc2cc[nH]cc-2n1 ZINC000002470268 538116782 /nfs/dbraw/zinc/11/67/82/538116782.db2.gz NZTLBFPSWOIWIT-UHFFFAOYSA-N 0 0 217.316 3.642 10 0 BHAERN S=C1NC2(Cc3ccccc31)CCCCCC2 ZINC000002491373 183312917 /nfs/dbraw/zinc/31/29/17/183312917.db2.gz DJLPTLXXKOXHJC-UHFFFAOYSA-N 0 0 245.391 3.601 10 0 BHAERN FC(F)(F)c1nc2cccc3cccc([nH]1)c32 ZINC000002491925 188245185 /nfs/dbraw/zinc/24/51/85/188245185.db2.gz HVARHVMCZYYPQJ-UHFFFAOYSA-N 0 0 236.196 3.735 10 0 BHAERN CSC1Sc2ccccc2S1 ZINC000002507552 175455908 /nfs/dbraw/zinc/45/59/08/175455908.db2.gz VDSKGWPFPTXXAK-UHFFFAOYSA-N 0 0 200.353 3.531 10 0 BHAERN Cc1cccc([C@H]2CCCC(=O)C2)c1C ZINC000002514121 179204115 /nfs/dbraw/zinc/20/41/15/179204115.db2.gz JDJBAJKBBWPWCG-LBPRGKRZSA-N 0 0 202.297 3.530 10 0 BHAERN Cc1ccc(C)c([C@H]2CCCC(=O)C2)c1 ZINC000002514123 178502808 /nfs/dbraw/zinc/50/28/08/178502808.db2.gz SZZFPVWWQFPKQX-LBPRGKRZSA-N 0 0 202.297 3.530 10 0 BHAERN Cc1cc(C)cc([C@H]2CCCC(=O)C2)c1 ZINC000002514124 371567227 /nfs/dbraw/zinc/56/72/27/371567227.db2.gz WIZIYFZZCAITQV-LBPRGKRZSA-N 0 0 202.297 3.530 10 0 BHAERN CC(=O)Cc1ccc(Oc2ccccc2)cc1 ZINC000002518687 388840984 /nfs/dbraw/zinc/84/09/84/388840984.db2.gz FVTISCGUVQSAKM-UHFFFAOYSA-N 0 0 226.275 3.610 10 0 BHAERN Oc1ccc(-c2ccccc2)c(Cl)c1 ZINC000002521518 183264896 /nfs/dbraw/zinc/26/48/96/183264896.db2.gz MXORDJXBRHNWBE-UHFFFAOYSA-N 0 0 204.656 3.713 10 0 in-vitro BHAERN c1ccc(-c2ccc(-c3ccccn3)nc2)cc1 ZINC000002525160 183379655 /nfs/dbraw/zinc/37/96/55/183379655.db2.gz OPPMNBYHIZCEGC-UHFFFAOYSA-N 0 0 232.286 3.811 10 0 BHAERN CC(=O)c1cccc(-c2ccccc2C)c1 ZINC000002525661 398280590 /nfs/dbraw/zinc/28/05/90/398280590.db2.gz ZWLLCSNTAFEQRC-UHFFFAOYSA-N 0 0 210.276 3.865 10 0 BHAERN Cc1ccsc1-c1sc(C=O)cc1C ZINC000002528626 371568517 /nfs/dbraw/zinc/56/85/17/371568517.db2.gz DDZAAXVYZHTAHO-UHFFFAOYSA-N 0 0 222.334 3.906 10 0 BHAERN Brc1cscc1-c1ccncc1 ZINC000002538944 166106781 /nfs/dbraw/zinc/10/67/81/166106781.db2.gz PGKKAMMAUKZLIK-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN ClC(Cl)=C(Cl)C1(Cl)CC1 ZINC000002539591 180568818 /nfs/dbraw/zinc/56/88/18/180568818.db2.gz HJQLCRTUOWAVBS-UHFFFAOYSA-N 0 0 205.899 3.643 10 0 BHAERN Oc1ccc2c(c1)CCc1ccc(Cl)cc1N2 ZINC000002540034 183280326 /nfs/dbraw/zinc/28/03/26/183280326.db2.gz BEUOXJAYIRYSAR-UHFFFAOYSA-N 0 0 245.709 3.888 10 0 BHAERN Clc1nc2ccccc2n1-c1ccccc1 ZINC000002541033 368846096 /nfs/dbraw/zinc/84/60/96/368846096.db2.gz JZMUUDCDJJOJSW-UHFFFAOYSA-N 0 0 228.682 3.679 10 0 BHAERN Cc1nc2ccccc2c(-c2ccccc2)n1 ZINC000002541131 179865727 /nfs/dbraw/zinc/86/57/27/179865727.db2.gz HTGDGYIDLFBJOP-UHFFFAOYSA-N 0 0 220.275 3.605 10 0 BHAERN Cc1cc(C)cc(OCc2csc(C=O)c2)c1 ZINC000002554627 177913165 /nfs/dbraw/zinc/91/31/65/177913165.db2.gz WBRNZVXTSYFPPW-UHFFFAOYSA-N 0 0 246.331 3.756 10 0 BHAERN CCc1ccc(OCc2csc(C=O)c2)cc1 ZINC000002554631 187246223 /nfs/dbraw/zinc/24/62/23/187246223.db2.gz OBQKSLKERSLHDM-UHFFFAOYSA-N 0 0 246.331 3.702 10 0 BHAERN Cc1sc(C=O)cc1COc1ccc(C)cc1 ZINC000002554690 178815089 /nfs/dbraw/zinc/81/50/89/178815089.db2.gz NOVDUWLIWCMLIT-UHFFFAOYSA-N 0 0 246.331 3.756 10 0 BHAERN O=C(Cc1cccs1)c1ccc(Cl)cc1 ZINC000002554910 182052767 /nfs/dbraw/zinc/05/27/67/182052767.db2.gz SDDXYPOTNAUZGU-UHFFFAOYSA-N 0 0 236.723 3.827 10 0 BHAERN CCCCOP(=O)(CC)OCCCC ZINC000002560595 368846148 /nfs/dbraw/zinc/84/61/48/368846148.db2.gz SBRBXWIDHBSVPD-UHFFFAOYSA-N 0 0 222.265 3.833 10 0 BHAERN CCP(=O)(CC)CCP(=O)(CC)CC ZINC000002560613 368846448 /nfs/dbraw/zinc/84/64/48/368846448.db2.gz GWTHXBKWWDYAQS-UHFFFAOYSA-N 0 0 238.248 3.792 10 0 BHAERN CC1=CC[C@H]([C@@]2(C)CCC(=O)C(C)(C)O2)CC1 ZINC000002562500 168121536 /nfs/dbraw/zinc/12/15/36/168121536.db2.gz MJWZYBQLHJQQJJ-SWLSCSKDSA-N 0 0 236.355 3.650 10 0 BHAERN CC(C)(c1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000002564800 187245861 /nfs/dbraw/zinc/24/58/61/187245861.db2.gz CTYOSJAXQPHWCK-KGLIPLIRSA-N 0 0 218.340 3.515 10 0 BHAERN CC(C)(c1ccccc1)[C@H]1CCCC[C@H]1O ZINC000002564801 342724596 /nfs/dbraw/zinc/72/45/96/342724596.db2.gz CTYOSJAXQPHWCK-UONOGXRCSA-N 0 0 218.340 3.515 10 0 BHAERN Nn1c(-c2ccccc2)ccc1-c1ccccc1 ZINC000002566962 342724507 /nfs/dbraw/zinc/72/45/07/342724507.db2.gz QXGIEALBOGPCMJ-UHFFFAOYSA-N 0 0 234.302 3.536 10 0 BHAERN Cc1cc(C)c(O)c(-c2cc(C)cc(C)c2O)c1 ZINC000002570787 371597570 /nfs/dbraw/zinc/59/75/70/371597570.db2.gz XBDTZNMRTRPDKH-UHFFFAOYSA-N 0 0 242.318 3.998 10 0 BHAERN CCOC(CCCCC(C)C)OCC ZINC000002573788 170314498 /nfs/dbraw/zinc/31/44/98/170314498.db2.gz UGEOLDGWHXDZBP-UHFFFAOYSA-N 0 0 202.338 3.602 10 0 BHAERN Oc1ccc(Cl)cc1OCc1ccccc1 ZINC000002576293 368369389 /nfs/dbraw/zinc/36/93/89/368369389.db2.gz HAXUWXPBXVMAKK-UHFFFAOYSA-N 0 0 234.682 3.625 10 0 BHAERN Clc1cc(Cl)nc(Nc2ccccc2)n1 ZINC000002576618 360485764 /nfs/dbraw/zinc/48/57/64/360485764.db2.gz QMVNQNGMZAIUMI-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN CC(=O)Cc1cccc(Oc2ccccc2)c1 ZINC000002579270 385047065 /nfs/dbraw/zinc/04/70/65/385047065.db2.gz UDZYEVLIZLVBEH-UHFFFAOYSA-N 0 0 226.275 3.610 10 0 BHAERN Cc1cc(C(=O)C(F)(F)F)c(C)c(C)c1C ZINC000002579843 187245825 /nfs/dbraw/zinc/24/58/25/187245825.db2.gz UFDHGEQYTVLOSG-UHFFFAOYSA-N 0 0 230.229 3.665 10 0 BHAERN CC(C)Cc1ccccc1Br ZINC000002580753 363206344 /nfs/dbraw/zinc/20/63/44/363206344.db2.gz HJQLGKFRJIWWAT-UHFFFAOYSA-N 0 0 213.118 3.648 10 0 BHAERN CCC(=O)c1cccc(Cl)c1Cl ZINC000002580759 168257304 /nfs/dbraw/zinc/25/73/04/168257304.db2.gz RMIJMXPBQBQCHQ-UHFFFAOYSA-N 0 0 203.068 3.586 10 0 BHAERN c1csc2sccsc=2s1 ZINC000002585416 342725984 /nfs/dbraw/zinc/72/59/84/342725984.db2.gz KCSQYWMGBADUMG-UHFFFAOYSA-N 0 0 204.366 3.782 10 0 BHAERN CCCCCCn1c(C)nc2ccccc21 ZINC000002695408 371632567 /nfs/dbraw/zinc/63/25/67/371632567.db2.gz IUWGLUKQBXEESX-UHFFFAOYSA-N 0 0 216.328 3.925 10 0 BHAERN Cc1ccc(C(=O)Sc2ccccc2)cc1 ZINC000003012596 178444599 /nfs/dbraw/zinc/44/45/99/178444599.db2.gz TVXKFVNVEQJGFM-UHFFFAOYSA-N 0 0 228.316 3.928 10 0 BHAERN Clc1ccc(Oc2cc(Cl)ncn2)cc1 ZINC000003047848 359643100 /nfs/dbraw/zinc/64/31/00/359643100.db2.gz OFUNGGXKORELSZ-UHFFFAOYSA-N 0 0 241.077 3.576 10 0 BHAERN Fc1c2c(c(F)c(F)c1F)[C@H]1C=CC13C=C[C@H]23 ZINC000003096916 342730381 /nfs/dbraw/zinc/73/03/81/342730381.db2.gz GJLRELBBFMANDE-VLPQENBJSA-N 0 0 238.183 3.550 10 0 BHAERN Fc1c2c(c(F)c(F)c1F)[C@@H]1C=CC13C=C[C@@H]23 ZINC000003096917 180946575 /nfs/dbraw/zinc/94/65/75/180946575.db2.gz GJLRELBBFMANDE-ZNZPFKPVSA-N 0 0 238.183 3.550 10 0 BHAERN CNc1[nH]c2ccccc2c1-c1ccccc1 ZINC000003097362 383999585 /nfs/dbraw/zinc/99/95/85/383999585.db2.gz LWUCWQBILKUAHP-UHFFFAOYSA-N 0 0 222.291 3.877 10 0 BHAERN Cc1c(-c2ccccc2)nc2n1Cc1ccccc1-2 ZINC000003125036 371881294 /nfs/dbraw/zinc/88/12/94/371881294.db2.gz KEIOZNBKDXTOTN-UHFFFAOYSA-N 0 0 246.313 3.887 10 0 BHAERN C/C(=C/c1ccccc1)C(=O)NC1CCCCC1 ZINC000003160103 188275410 /nfs/dbraw/zinc/27/54/10/188275410.db2.gz FBPFDOGMSXJEQL-SEYXRHQNSA-N 0 0 243.350 3.539 10 0 BHAERN COc1ccc([C@H]2C[C@H]2c2ccccc2)cc1 ZINC000003161115 175197959 /nfs/dbraw/zinc/19/79/59/175197959.db2.gz GLURZDVUJCOVBV-JKSUJKDBSA-N 0 0 224.303 3.966 10 0 BHAERN COc1ccc([C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000003161116 175185683 /nfs/dbraw/zinc/18/56/83/175185683.db2.gz GLURZDVUJCOVBV-HOTGVXAUSA-N 0 0 224.303 3.966 10 0 BHAERN COc1ccc([C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000003161117 175197722 /nfs/dbraw/zinc/19/77/22/175197722.db2.gz GLURZDVUJCOVBV-HZPDHXFCSA-N 0 0 224.303 3.966 10 0 BHAERN COc1ccc([C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000003161118 175185565 /nfs/dbraw/zinc/18/55/65/175185565.db2.gz GLURZDVUJCOVBV-CVEARBPZSA-N 0 0 224.303 3.966 10 0 BHAERN c1c(Cc2ccccc2)onc1-c1ccccc1 ZINC000003161237 183410984 /nfs/dbraw/zinc/41/09/84/183410984.db2.gz OYLPWPUOHCMCOK-UHFFFAOYSA-N 0 0 235.286 3.932 10 0 BHAERN Cc1ccc(P(=O)(C(C)C)C(C)C)cc1 ZINC000003161277 356471980 /nfs/dbraw/zinc/47/19/80/356471980.db2.gz IJYQMSWDFOWWNW-UHFFFAOYSA-N 0 0 224.284 3.800 10 0 BHAERN CCCCCC[C@H]1CSCCS1 ZINC000003165196 342731202 /nfs/dbraw/zinc/73/12/02/342731202.db2.gz VQAKQRSRRZAUKZ-JTQLQIEISA-N 0 0 204.404 3.805 10 0 BHAERN CC(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000003165699 371898952 /nfs/dbraw/zinc/89/89/52/371898952.db2.gz HUJNWDLTGILEDJ-UHFFFAOYSA-N 0 0 238.501 3.605 10 0 BHAERN CC(=O)CCc1ccc([C@@H](C)c2ccco2)o1 ZINC000003171519 187928115 /nfs/dbraw/zinc/92/81/15/187928115.db2.gz LMKMNWRYPTWVGO-NSHDSACASA-N 0 0 232.279 3.546 10 0 BHAERN CC(=O)CCc1ccc([C@H](C)c2ccco2)o1 ZINC000003171521 342731123 /nfs/dbraw/zinc/73/11/23/342731123.db2.gz LMKMNWRYPTWVGO-LLVKDONJSA-N 0 0 232.279 3.546 10 0 BHAERN CC1=C[C@@H]2[C@@H](C(C)C)CC[C@@](C)(O)[C@@H]2CC1 ZINC000003171679 168126024 /nfs/dbraw/zinc/12/60/24/168126024.db2.gz LHYHMMRYTDARSZ-KBUPBQIOSA-N 0 0 222.372 3.776 10 0 in-man BHAERN C/C=C/C(=O)Nc1cccc(Cl)c1Cl ZINC000003195597 388368132 /nfs/dbraw/zinc/36/81/32/388368132.db2.gz VQGCFBZZPNFOTQ-DUXPYHPUSA-N 0 0 230.094 3.508 10 0 BHAERN CCN(CC)C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000003195974 342731337 /nfs/dbraw/zinc/73/13/37/342731337.db2.gz DIRGUZCNQBSSPU-FMIVXFBMSA-N 0 0 245.366 3.692 10 0 BHAERN COc1ccccc1Oc1ccccc1C(C)=O ZINC000003199230 175342909 /nfs/dbraw/zinc/34/29/09/175342909.db2.gz PJBAJZJWMXYLJL-UHFFFAOYSA-N 0 0 242.274 3.690 10 0 BHAERN Cc1ccc(-c2ccc(C)c(N)c2C)c(C)c1N ZINC000003199841 178324168 /nfs/dbraw/zinc/32/41/68/178324168.db2.gz XSZRDPTUXSHQFP-UHFFFAOYSA-N 0 0 240.350 3.752 10 0 BHAERN O=C(Nc1ccc2c(c1)-c1ccccc1C2)C1CC1 ZINC000003444536 182363191 /nfs/dbraw/zinc/36/31/91/182363191.db2.gz MXMFYNXHBWAMGC-UHFFFAOYSA-N 0 0 249.313 3.606 10 0 BHAERN CC(=O)c1ccc2c(c1)Cc1ccccc1O2 ZINC000003600275 358233076 /nfs/dbraw/zinc/23/30/76/358233076.db2.gz QKOZJKFAYMWQDE-UHFFFAOYSA-N 0 0 224.259 3.586 10 0 BHAERN C[C@H](O)c1ccc2c(c1)Sc1ccccc1O2 ZINC000003600298 177017132 /nfs/dbraw/zinc/01/71/32/177017132.db2.gz UHWHRXQKVFAJTA-VIFPVBQESA-N 0 0 244.315 3.997 10 0 BHAERN C[C@@H](O)c1ccc2c(c1)Sc1ccccc1O2 ZINC000003600299 342734896 /nfs/dbraw/zinc/73/48/96/342734896.db2.gz UHWHRXQKVFAJTA-SECBINFHSA-N 0 0 244.315 3.997 10 0 BHAERN CCn1ccn2cc(-c3ccc(C)cc3)cc21 ZINC000003603151 172211352 /nfs/dbraw/zinc/21/13/52/172211352.db2.gz IELREHAHXJCILU-UHFFFAOYSA-N 0 0 224.307 3.736 10 0 BHAERN Cn1ccn2cc(-c3ccc(Cl)cc3)cc12 ZINC000003603462 342735061 /nfs/dbraw/zinc/73/50/61/342735061.db2.gz IEIIWEQORZBHHJ-UHFFFAOYSA-N 0 0 230.698 3.598 10 0 BHAERN CC/C=C(\C)Cc1ccc(C(C)=O)cc1 ZINC000003604078 384019768 /nfs/dbraw/zinc/01/97/68/384019768.db2.gz JYKPODDVWQNCRG-VZUCSPMQSA-N 0 0 202.297 3.788 10 0 BHAERN CC/C=C(/C)Cc1ccc(C(C)=O)cc1 ZINC000003604079 384020310 /nfs/dbraw/zinc/02/03/10/384020310.db2.gz JYKPODDVWQNCRG-WZUFQYTHSA-N 0 0 202.297 3.788 10 0 BHAERN c1ccc2c(c1)N[C@@H]1CCCC[C@H]1S2 ZINC000003604738 183450939 /nfs/dbraw/zinc/45/09/39/183450939.db2.gz GCAFFHUTHFEBEP-ZYHUDNBSSA-N 0 0 205.326 3.515 10 0 BHAERN Cc1sc(Cl)nc1-c1ccccc1 ZINC000003624599 342735231 /nfs/dbraw/zinc/73/52/31/342735231.db2.gz VSKVTXRYYVUURK-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN CCN(CC)C(=O)Oc1cccc(C(C)(C)C)c1 ZINC000003628564 342735330 /nfs/dbraw/zinc/73/53/30/342735330.db2.gz QCGYBLHTAZWHQO-UHFFFAOYSA-N 0 0 249.354 3.825 10 0 BHAERN CCN(CC)C(=O)Oc1ccc(C(C)(C)C)cc1 ZINC000003628618 169755891 /nfs/dbraw/zinc/75/58/91/169755891.db2.gz WUOYUUHGJZHLCZ-UHFFFAOYSA-N 0 0 249.354 3.825 10 0 BHAERN c1ccc([C@H]2CN=NN2c2ccccc2)cc1 ZINC000003635778 183433605 /nfs/dbraw/zinc/43/36/05/183433605.db2.gz TVXXZJVKGCPEGS-CQSZACIVSA-N 0 0 223.279 3.615 10 0 BHAERN c1ccc([C@@H]2CN=NN2c2ccccc2)cc1 ZINC000003635780 384021998 /nfs/dbraw/zinc/02/19/98/384021998.db2.gz TVXXZJVKGCPEGS-AWEZNQCLSA-N 0 0 223.279 3.615 10 0 BHAERN Nc1ccc(/C=C/c2ccc(F)cc2)cc1 ZINC000003636129 346577868 /nfs/dbraw/zinc/57/78/68/346577868.db2.gz AAVIHGPUAGOTOM-OWOJBTEDSA-N 0 0 213.255 3.578 10 0 BHAERN Cc1ncn(Nc2ccccc2)c1-c1ccccc1 ZINC000003641461 180289980 /nfs/dbraw/zinc/28/99/80/180289980.db2.gz ZQAQKDWDKQLXGK-UHFFFAOYSA-N 0 0 249.317 3.734 10 0 BHAERN CC1=CC[P@](=O)(OC2CCCCC2)C1 ZINC000003642631 358558897 /nfs/dbraw/zinc/55/88/97/358558897.db2.gz AYMHKAGSVQHKOU-AWEZNQCLSA-N 0 0 214.245 3.574 10 0 BHAERN CC1=CC[P@@](=O)(OC2CCCCC2)C1 ZINC000003642633 358559031 /nfs/dbraw/zinc/55/90/31/358559031.db2.gz AYMHKAGSVQHKOU-CQSZACIVSA-N 0 0 214.245 3.574 10 0 BHAERN CCCCCC1(OC(C)=O)CCCCC1 ZINC000003643325 187246163 /nfs/dbraw/zinc/24/61/63/187246163.db2.gz PXKHJCMKWLCRFQ-UHFFFAOYSA-N 0 0 212.333 3.833 10 0 BHAERN Cc1cc(/C=C/c2ccccc2)ccc1N ZINC000003643402 177698894 /nfs/dbraw/zinc/69/88/94/177698894.db2.gz DIUWMHRBWCFTSX-BQYQJAHWSA-N 0 0 209.292 3.748 10 0 BHAERN Cc1cc(N)ccc1/C=C/c1ccccc1 ZINC000003643405 188275536 /nfs/dbraw/zinc/27/55/36/188275536.db2.gz YPJOIMSTZPAMAP-BQYQJAHWSA-N 0 0 209.292 3.748 10 0 BHAERN O=Cc1c(Cl)[nH]c2c1ccc1ccccc21 ZINC000003672831 368878875 /nfs/dbraw/zinc/87/88/75/368878875.db2.gz HGZFBKHNTUAWQA-UHFFFAOYSA-N 0 0 229.666 3.787 10 0 BHAERN Cc1ccc2[nH]c(-c3ccccc3)c(C=O)c2c1 ZINC000003675690 188275243 /nfs/dbraw/zinc/27/52/43/188275243.db2.gz QLSNHLNKKURCMN-UHFFFAOYSA-N 0 0 235.286 3.956 10 0 BHAERN Cc1cc(C)c(-c2csc(C=O)n2)c(C)c1 ZINC000003676333 177835309 /nfs/dbraw/zinc/83/53/09/177835309.db2.gz WVYDZLFTKUZOAJ-UHFFFAOYSA-N 0 0 231.320 3.548 10 0 BHAERN CC(C)c1ccc(-c2csc(C=O)n2)cc1 ZINC000003676334 167580132 /nfs/dbraw/zinc/58/01/32/167580132.db2.gz SYFYSXICRVXILB-UHFFFAOYSA-N 0 0 231.320 3.746 10 0 BHAERN CC(C)(C)c1ccc(-c2csc(C=O)n2)cc1 ZINC000003676335 187246185 /nfs/dbraw/zinc/24/61/85/187246185.db2.gz PDCDWDIRKOGDTE-UHFFFAOYSA-N 0 0 245.347 3.920 10 0 BHAERN Cc1ccccc1[C@H]1Cc2ccccc2N1 ZINC000003714977 179350104 /nfs/dbraw/zinc/35/01/04/179350104.db2.gz PJVXSVZAXFLDKU-OAHLLOKOSA-N 0 0 209.292 3.704 10 0 BHAERN CCOc1ccccc1[C@H]1Cc2ccccc2N1 ZINC000003714989 170599880 /nfs/dbraw/zinc/59/98/80/170599880.db2.gz DAINDZNZEQEOAP-OAHLLOKOSA-N 0 0 239.318 3.795 10 0 BHAERN CCOc1cccc([C@H]2Cc3ccccc3N2)c1 ZINC000003714991 170586744 /nfs/dbraw/zinc/58/67/44/170586744.db2.gz HBFXEGWYSVRURF-MRXNPFEDSA-N 0 0 239.318 3.795 10 0 BHAERN CCOc1ccc([C@H]2Cc3ccccc3N2)cc1 ZINC000003714993 170565389 /nfs/dbraw/zinc/56/53/89/170565389.db2.gz XELPKJFXADQYPZ-MRXNPFEDSA-N 0 0 239.318 3.795 10 0 BHAERN Cc1ccc([C@@H]2Cc3ccccc3N2)s1 ZINC000003715015 178876610 /nfs/dbraw/zinc/87/66/10/178876610.db2.gz AHKAHZMLJHXPEM-LBPRGKRZSA-N 0 0 215.321 3.766 10 0 BHAERN Fc1ccc([C@@H]2Cc3ccccc3N2)cc1F ZINC000003715027 180983286 /nfs/dbraw/zinc/98/32/86/180983286.db2.gz IKTNPZAOCBZXAH-AWEZNQCLSA-N 0 0 231.245 3.674 10 0 BHAERN COc1ccc([C@H]2Cc3ccccc3N2)cc1F ZINC000003715053 175198135 /nfs/dbraw/zinc/19/81/35/175198135.db2.gz MLHUEGSUXALCHJ-CQSZACIVSA-N 0 0 243.281 3.544 10 0 BHAERN COc1ccc([C@@H]2Cc3ccccc3N2)cc1F ZINC000003715054 175185151 /nfs/dbraw/zinc/18/51/51/175185151.db2.gz MLHUEGSUXALCHJ-AWEZNQCLSA-N 0 0 243.281 3.544 10 0 BHAERN COc1ccc([C@H]2Cc3ccccc3N2)c(C)c1 ZINC000003715057 175198008 /nfs/dbraw/zinc/19/80/08/175198008.db2.gz RZOOYIJFJSMRRE-MRXNPFEDSA-N 0 0 239.318 3.713 10 0 BHAERN COc1ccc([C@@H]2Cc3ccccc3N2)c(C)c1 ZINC000003715058 175185276 /nfs/dbraw/zinc/18/52/76/175185276.db2.gz RZOOYIJFJSMRRE-INIZCTEOSA-N 0 0 239.318 3.713 10 0 BHAERN COc1ccc(F)cc1[C@H]1Cc2ccccc2N1 ZINC000003715061 175134345 /nfs/dbraw/zinc/13/43/45/175134345.db2.gz QRFBFBZNNAOOGK-CQSZACIVSA-N 0 0 243.281 3.544 10 0 BHAERN COc1ccc(F)cc1[C@@H]1Cc2ccccc2N1 ZINC000003715062 175133710 /nfs/dbraw/zinc/13/37/10/175133710.db2.gz QRFBFBZNNAOOGK-AWEZNQCLSA-N 0 0 243.281 3.544 10 0 BHAERN c1ccc2c(c1)C[C@@H](C1CCCCC1)N2 ZINC000003715065 183448866 /nfs/dbraw/zinc/44/88/66/183448866.db2.gz LEXQPYMCTMZRQM-AWEZNQCLSA-N 0 0 201.313 3.604 10 0 BHAERN COc1ccc(C(C)C)cc1-c1csc(N)n1 ZINC000003722616 175068670 /nfs/dbraw/zinc/06/86/70/175068670.db2.gz LFIVGLVTCXVJRZ-UHFFFAOYSA-N 0 0 248.351 3.524 10 0 BHAERN CSc1ccc2c(c1)ncn2-c1ccccc1 ZINC000003815798 342737878 /nfs/dbraw/zinc/73/78/78/342737878.db2.gz ZAFMFDKGUGVXFS-UHFFFAOYSA-N 0 0 240.331 3.747 10 0 BHAERN Oc1ccc(-c2cc3cc(O)ccc3o2)cc1 ZINC000003816519 183264031 /nfs/dbraw/zinc/26/40/31/183264031.db2.gz SNNNDCMXZYWCCI-UHFFFAOYSA-N 0 0 226.231 3.511 10 0 in-vivo BHAERN COc1ccccc1-c1ccc2[nH]ccc2c1 ZINC000003817623 175309938 /nfs/dbraw/zinc/30/99/38/175309938.db2.gz KRAVCWUHRVGOGK-UHFFFAOYSA-N 0 0 223.275 3.844 10 0 BHAERN CC(=O)c1cc2c(c(C(C)(C)C)c1)OCC2(C)C ZINC000003824840 388588316 /nfs/dbraw/zinc/58/83/16/388588316.db2.gz DVWOBLQZSIYRCC-UHFFFAOYSA-N 0 0 246.350 3.857 10 0 BHAERN COc1ccc2ncc(-c3ccsc3)cc2c1 ZINC000003832230 175230348 /nfs/dbraw/zinc/23/03/48/175230348.db2.gz SQHKULNLQJHPDX-UHFFFAOYSA-N 0 0 241.315 3.972 10 0 in-vivo BHAERN Cc1ccc([C@H](O)[C@H]2C=CCCCC2)cc1 ZINC000003851169 178916510 /nfs/dbraw/zinc/91/65/10/178916510.db2.gz YMURIQGXBNFLRG-DZGCQCFKSA-N 0 0 216.324 3.775 10 0 BHAERN Cc1ccc([C@@H](O)[C@H]2C=CCCCC2)cc1 ZINC000003851171 178869070 /nfs/dbraw/zinc/86/90/70/178869070.db2.gz YMURIQGXBNFLRG-ZFWWWQNUSA-N 0 0 216.324 3.775 10 0 BHAERN Cc1ccc([C@H](O)[C@@H]2C=CCCCC2)cc1 ZINC000003851172 178915398 /nfs/dbraw/zinc/91/53/98/178915398.db2.gz YMURIQGXBNFLRG-UKRRQHHQSA-N 0 0 216.324 3.775 10 0 BHAERN Cc1ccc([C@@H](O)[C@@H]2C=CCCCC2)cc1 ZINC000003851174 178867772 /nfs/dbraw/zinc/86/77/72/178867772.db2.gz YMURIQGXBNFLRG-HIFRSBDPSA-N 0 0 216.324 3.775 10 0 BHAERN Cc1sc(C)c2c1CCC[C@@H]2c1c[nH]cn1 ZINC000003923487 368889046 /nfs/dbraw/zinc/88/90/46/368889046.db2.gz AOQYWVCOSJELMS-LLVKDONJSA-N 0 0 232.352 3.556 10 0 BHAERN CC1=C[C@H]2[C@@H](CC1)[C@](C)(O)CC[C@H]2C(C)C ZINC000003978564 168125971 /nfs/dbraw/zinc/12/59/71/168125971.db2.gz LHYHMMRYTDARSZ-GBJTYRQASA-N 0 0 222.372 3.776 10 0 endogenous,in-man BHAERN O[C@@H]1CCCC[C@H]1c1cccc2ccccc21 ZINC000004071855 534411369 /nfs/dbraw/zinc/41/13/69/534411369.db2.gz GLPLBZSYNMNCEQ-JKSUJKDBSA-N 0 0 226.319 3.858 10 0 BHAERN CC[C@H](O)CCc1cccc2ccccc21 ZINC000004071985 411498716 /nfs/dbraw/zinc/49/87/16/411498716.db2.gz BLDSZEHRXNSSGF-AWEZNQCLSA-N 0 0 214.308 3.543 10 0 BHAERN CC[C@@H](O)CCc1cccc2ccccc21 ZINC000004071987 411499315 /nfs/dbraw/zinc/49/93/15/411499315.db2.gz BLDSZEHRXNSSGF-CQSZACIVSA-N 0 0 214.308 3.543 10 0 BHAERN C[C@H]1CCC[C@]2(C)CC[C@@]3(C(C)(C)O)C[C@]132 ZINC000004098253 560195403 /nfs/dbraw/zinc/19/54/03/560195403.db2.gz JUXDFQMZOFALSA-PMOUVXMZSA-N 0 0 222.372 3.754 10 0 in-vitro BHAERN C[C@@H]1CC(=O)[C@@]2(C)[C@H](C)c3ccoc3C[C@@]12C ZINC000004098291 290790743 /nfs/dbraw/zinc/79/07/43/290790743.db2.gz LJFIDWTVIFBAAF-ZMRCNFHJSA-N 0 0 232.323 3.561 10 0 biogenic,in-vitro BHAERN O=C(Nc1ccc2sccc2c1)c1ccco1 ZINC000004134733 182367236 /nfs/dbraw/zinc/36/72/36/182367236.db2.gz YPUUQZYJVDOZFC-UHFFFAOYSA-N 0 0 243.287 3.747 10 0 BHAERN Cc1cc(-c2ccc(CO)cc2)ccc1Cl ZINC000004204205 342744112 /nfs/dbraw/zinc/74/41/12/342744112.db2.gz QQSXOKRPQYCDQX-UHFFFAOYSA-N 0 0 232.710 3.808 10 0 BHAERN Cc1ccc(-c2ccc(CO)cc2)cc1Cl ZINC000004204211 178324475 /nfs/dbraw/zinc/32/44/75/178324475.db2.gz FTWGMAWSUAURET-UHFFFAOYSA-N 0 0 232.710 3.808 10 0 BHAERN Cc1ccc(-c2cccc(CO)c2)cc1Cl ZINC000004204214 178326983 /nfs/dbraw/zinc/32/69/83/178326983.db2.gz PMSRCMLSESZNMK-UHFFFAOYSA-N 0 0 232.710 3.808 10 0 BHAERN Cc1cc(C)cc(-c2ccc(C=O)cc2)c1 ZINC000004204246 384045285 /nfs/dbraw/zinc/04/52/85/384045285.db2.gz DIEZRQJNMZQYGV-UHFFFAOYSA-N 0 0 210.276 3.783 10 0 BHAERN CSc1cccc(-c2ccc(C=O)cc2)c1 ZINC000004204284 342743955 /nfs/dbraw/zinc/74/39/55/342743955.db2.gz LOABASGTVKEQOX-UHFFFAOYSA-N 0 0 228.316 3.888 10 0 BHAERN c1n[nH]c2cc(NC3CCCCCC3)ccc12 ZINC000004210810 183374908 /nfs/dbraw/zinc/37/49/08/183374908.db2.gz FQVOTPQJHZEYQL-UHFFFAOYSA-N 0 0 229.327 3.698 10 0 BHAERN COc1ccc2cc(SC)ccc2c1 ZINC000004228201 175224575 /nfs/dbraw/zinc/22/45/75/175224575.db2.gz LHYZRDBKJZTPQJ-UHFFFAOYSA-N 0 0 204.294 3.570 10 0 BHAERN Cc1c(C)c(C)c(-c2csc(N)n2)c(C)c1C ZINC000004245281 177575133 /nfs/dbraw/zinc/57/51/33/177575133.db2.gz WOAOVRODDDNVCB-UHFFFAOYSA-N 0 0 246.379 3.934 10 0 BHAERN CCCCc1cc(O)c(CCCC)c(O)c1 ZINC000004388828 169017971 /nfs/dbraw/zinc/01/79/71/169017971.db2.gz VUBZUQZZZGGPNX-UHFFFAOYSA-N 0 0 222.328 3.783 10 0 BHAERN C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@]12CC[C@]3(C)O ZINC000004389107 176237499 /nfs/dbraw/zinc/23/74/99/176237499.db2.gz SVURIXNDRWRAFU-FUQNVFFISA-N 0 0 222.372 3.610 10 0 BHAERN C[C@@H]1CC[C@H](C(C)(C)c2ccccc2)[C@H](O)C1 ZINC000004521780 176222375 /nfs/dbraw/zinc/22/23/75/176222375.db2.gz WTQIZFCJMGWUGZ-VHDGCEQUSA-N 0 0 232.367 3.761 10 0 BHAERN C[C@H]1CC[C@H](C(C)(C)c2ccccc2)[C@H](O)C1 ZINC000004521781 177197432 /nfs/dbraw/zinc/19/74/32/177197432.db2.gz WTQIZFCJMGWUGZ-AEGPPILISA-N 0 0 232.367 3.761 10 0 BHAERN C/C(=C\c1ccc(O)cc1)c1ccc(O)cc1 ZINC000004654868 560199282 /nfs/dbraw/zinc/19/92/82/560199282.db2.gz PMNXCGMIMVLCRP-ZHACJKMWSA-N 0 0 226.275 3.658 10 0 in-vitro BHAERN Cc1cc2nc(/C=C/c3cccnc3)[nH]c2cc1C ZINC000004661287 178299701 /nfs/dbraw/zinc/29/97/01/178299701.db2.gz HBVOFLLJSMHEQA-AATRIKPKSA-N 0 0 249.317 3.745 10 0 BHAERN c1ccc2c(c1)Cc1nc3ccccc3cc1-2 ZINC000004774753 384080552 /nfs/dbraw/zinc/08/05/52/384080552.db2.gz JXOPFQISJSPGAA-UHFFFAOYSA-N 0 0 217.271 3.806 10 0 BHAERN C(=C\c1ccnc2ccccc12)\c1cccnc1 ZINC000004823095 166228710 /nfs/dbraw/zinc/22/87/10/166228710.db2.gz YWFGPIWOFHMULO-FPLPWBNLSA-N 0 0 232.286 3.800 10 0 BHAERN CCCCCCOc1ccc(OC(C)=O)cc1 ZINC000004851909 344742605 /nfs/dbraw/zinc/74/26/05/344742605.db2.gz VBUNKGBEASXYHP-UHFFFAOYSA-N 0 0 236.311 3.571 10 0 BHAERN O=C(c1n[nH]c2ccccc21)c1ccccc1 ZINC000004880156 342753888 /nfs/dbraw/zinc/75/38/88/342753888.db2.gz VNRJXFCYHKNPEA-CYBMUJFWSA-N 0 0 222.247 3.708 10 0 BHAERN CCCC[C@@](C)(C(=O)OCC)c1ccccc1 ZINC000004900408 344800898 /nfs/dbraw/zinc/80/08/98/344800898.db2.gz OSAYEMUXOCSQHR-OAHLLOKOSA-N 0 0 234.339 3.698 10 0 BHAERN Nc1cc2c(c(Cl)c1)-c1ccc(F)cc1C2 ZINC000004918730 346858170 /nfs/dbraw/zinc/85/81/70/346858170.db2.gz BMKCJFSPSAUJDS-UHFFFAOYSA-N 0 0 233.673 3.633 10 0 BHAERN Cc1nc2ccc(Cl)cc2n1-c1ccccc1 ZINC000004993388 180090323 /nfs/dbraw/zinc/09/03/23/180090323.db2.gz VKGDGKQNXNKCJU-UHFFFAOYSA-N 0 0 242.709 3.987 10 0 BHAERN Clc1ccc([C@H]2ON2C2CCCCC2)cc1 ZINC000005004805 368995327 /nfs/dbraw/zinc/99/53/27/368995327.db2.gz PKELZJCVGQJKAN-AFYYWNPRSA-N 0 0 237.730 3.919 10 0 BHAERN S=c1[nH]cc(C23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000005006064 526386388 /nfs/dbraw/zinc/38/63/88/526386388.db2.gz HFFGVKXYGSRHAE-UHFFFAOYSA-N 0 0 234.368 3.540 10 0 BHAERN C/C=C/C(=O)OCc1ccc(Cl)cc1Cl ZINC000005020745 342756814 /nfs/dbraw/zinc/75/68/14/342756814.db2.gz OXRMQCCRXHYCBB-NSCUHMNNSA-N 0 0 245.105 3.613 10 0 BHAERN FC(F)(F)SC(=S)SC(F)(F)F ZINC000005112676 342758377 /nfs/dbraw/zinc/75/83/77/342758377.db2.gz BHLMOIFXVOEGPU-UHFFFAOYSA-N 0 0 246.222 3.777 10 0 BHAERN C[C@H](c1c[nH]cn1)c1cccc2ccccc21 ZINC000005115882 177031656 /nfs/dbraw/zinc/03/16/56/177031656.db2.gz DZSQSLQSMKNVBV-NSHDSACASA-N 0 0 222.291 3.715 10 0 in-vivo BHAERN c1c(-c2ccccc2)nc2n1CCc1ccccc1-2 ZINC000005117443 350085956 /nfs/dbraw/zinc/08/59/56/350085956.db2.gz CPBGAKDACNKZIE-UHFFFAOYSA-N 0 0 246.313 3.773 10 0 BHAERN CCN1c2ccccc2[C@H](C)CC1(C)C ZINC000005139678 132308827 /nfs/dbraw/zinc/30/88/27/132308827.db2.gz OPZGKIBDFSQFOG-LLVKDONJSA-N 0 0 203.329 3.799 10 0 BHAERN CCN1c2ccccc2[C@@H](C)CC1(C)C ZINC000005139679 132308842 /nfs/dbraw/zinc/30/88/42/132308842.db2.gz OPZGKIBDFSQFOG-NSHDSACASA-N 0 0 203.329 3.799 10 0 BHAERN CN1c2ccccc2C=Cc2ccccc21 ZINC000005140917 342759052 /nfs/dbraw/zinc/75/90/52/342759052.db2.gz WKMPLZAFPNQAMR-UHFFFAOYSA-N 0 0 207.276 3.938 10 0 BHAERN CSc1c2c(ccc1N)-c1ccc(F)cc1C2 ZINC000005141424 369005788 /nfs/dbraw/zinc/00/57/88/369005788.db2.gz BYLBGZWBDGJIQJ-UHFFFAOYSA-N 0 0 245.322 3.701 10 0 BHAERN Cc1cc(N)c(C)c2c3ccccc3[nH]c21 ZINC000005159887 178103285 /nfs/dbraw/zinc/10/32/85/178103285.db2.gz KZQZOUXUEGIOQD-UHFFFAOYSA-N 0 0 210.280 3.520 10 0 BHAERN Cc1ccc(/C=C/c2ccc(N)cc2)cc1 ZINC000005160531 345233381 /nfs/dbraw/zinc/23/33/81/345233381.db2.gz IYLUPPNUGBEWFI-VOTSOKGWSA-N 0 0 209.292 3.748 10 0 BHAERN Fc1ccc2[nH]cc(/C=C/c3ccncc3)c2c1 ZINC000005162062 384104596 /nfs/dbraw/zinc/10/45/96/384104596.db2.gz RXOULJUHAPQWKF-OWOJBTEDSA-N 0 0 238.265 3.872 10 0 BHAERN Clc1ccccc1CCCc1ccccn1 ZINC000005162246 384102793 /nfs/dbraw/zinc/10/27/93/384102793.db2.gz JCXMZCZNFXDTRS-UHFFFAOYSA-N 0 0 231.726 3.910 10 0 BHAERN c1ccc(Cc2cnc3ccccc3c2)cc1 ZINC000005162368 384104564 /nfs/dbraw/zinc/10/45/64/384104564.db2.gz QVMSGEZMPYTLKN-UHFFFAOYSA-N 0 0 219.287 3.826 10 0 BHAERN c1ccc(Cc2ccc3ncccc3c2)cc1 ZINC000005162372 384103273 /nfs/dbraw/zinc/10/32/73/384103273.db2.gz GMGJJCVVIGBOAJ-UHFFFAOYSA-N 0 0 219.287 3.826 10 0 BHAERN FC(F)(F)N(c1ccccc1)C(F)(F)F ZINC000005162378 384103086 /nfs/dbraw/zinc/10/30/86/384103086.db2.gz JBGNFLUETJDDBA-UHFFFAOYSA-N 0 0 229.123 3.533 10 0 BHAERN c1ccc2nc3c(cc2c1)COc1ccccc1-3 ZINC000005162836 342759328 /nfs/dbraw/zinc/75/93/28/342759328.db2.gz FBFLIZGARFAIRP-UHFFFAOYSA-N 0 0 233.270 3.794 10 0 BHAERN Clc1ccc(CCCc2ccccn2)cc1 ZINC000005162952 180579015 /nfs/dbraw/zinc/57/90/15/180579015.db2.gz MAHVJLZBFMCXCD-UHFFFAOYSA-N 0 0 231.726 3.910 10 0 BHAERN CC(=O)Oc1cc(Cl)c(Cl)c(Cl)c1 ZINC000005166791 345781113 /nfs/dbraw/zinc/78/11/13/345781113.db2.gz XVARLELSNCXVLM-UHFFFAOYSA-N 0 0 239.485 3.572 10 0 BHAERN CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1 ZINC000005166838 342759375 /nfs/dbraw/zinc/75/93/75/342759375.db2.gz XJRFDJWJMQOWDU-UHFFFAOYSA-N 0 0 248.228 3.557 10 0 BHAERN CC(=O)n1c(-c2ccccc2)cc2ccccc21 ZINC000005167651 166492893 /nfs/dbraw/zinc/49/28/93/166492893.db2.gz WXKQMCXQOXPSKQ-UHFFFAOYSA-N 0 0 235.286 3.968 10 0 BHAERN OCCOC1CCCCCCCCCCC1 ZINC000005189310 342759928 /nfs/dbraw/zinc/75/99/28/342759928.db2.gz NZQUZAKYFCRWDR-UHFFFAOYSA-N 0 0 228.376 3.669 10 0 BHAERN Oc1ccccc1C12CC3CC(CC(C3)C1)C2 ZINC000005278163 183301926 /nfs/dbraw/zinc/30/19/26/183301926.db2.gz ODJPWXGMNLXNCU-UHFFFAOYSA-N 0 0 228.335 3.860 10 0 BHAERN C/C(=C1\C(=O)Nc2ccccc21)c1ccccc1 ZINC000005282340 369013943 /nfs/dbraw/zinc/01/39/43/369013943.db2.gz XEOXRIFPLVRRAS-RVDMUPIBSA-N 0 0 235.286 3.569 10 0 BHAERN CC(=O)[C@@H](c1cn(C)c2ccccc12)C(C)(C)C ZINC000005283725 187411847 /nfs/dbraw/zinc/41/18/47/187411847.db2.gz ADRFYWOALDYBQC-HNNXBMFYSA-N 0 0 243.350 3.897 10 0 BHAERN CC(C)OCc1cccc(C(C)(C)C)c1O ZINC000005284756 167271219 /nfs/dbraw/zinc/27/12/19/167271219.db2.gz YFZAMUVQZUVOLK-UHFFFAOYSA-N 0 0 222.328 3.615 10 0 BHAERN CC(C)O[C@H](Cc1ccccc1)C(C)C ZINC000005284867 167282705 /nfs/dbraw/zinc/28/27/05/167282705.db2.gz GAYFKFRBNDKRNB-CQSZACIVSA-N 0 0 206.329 3.679 10 0 BHAERN CC(C)O[C@@H](Cc1ccccc1)C(C)C ZINC000005285025 167281068 /nfs/dbraw/zinc/28/10/68/167281068.db2.gz GAYFKFRBNDKRNB-AWEZNQCLSA-N 0 0 206.329 3.679 10 0 BHAERN Cc1ncn(-c2ccccc2)c1-c1ccccc1 ZINC000005285804 180284871 /nfs/dbraw/zinc/28/48/71/180284871.db2.gz WBUUBKRRBKVWBW-UHFFFAOYSA-N 0 0 234.302 3.848 10 0 BHAERN c1ccc(Sc2nc3ccccc3[nH]2)cc1 ZINC000005286400 183422890 /nfs/dbraw/zinc/42/28/90/183422890.db2.gz IHOFRNVUIOVDJP-UHFFFAOYSA-N 0 0 226.304 3.714 10 0 BHAERN c1ncn(-c2ccccc2)c1-c1ccccc1 ZINC000005286445 183381189 /nfs/dbraw/zinc/38/11/89/183381189.db2.gz JBLLBGIUSCXVSG-UHFFFAOYSA-N 0 0 220.275 3.539 10 0 BHAERN CCCCCC[C@@H]1CSCCS1 ZINC000005297701 342761602 /nfs/dbraw/zinc/76/16/02/342761602.db2.gz VQAKQRSRRZAUKZ-SNVBAGLBSA-N 0 0 204.404 3.805 10 0 BHAERN CCCCC(=O)CCc1ccc(C)cc1 ZINC000005308214 346182855 /nfs/dbraw/zinc/18/28/55/346182855.db2.gz JJEHJFLVXJLIRH-UHFFFAOYSA-N 0 0 204.313 3.687 10 0 BHAERN CCCC[C@@H](Cc1ccccn1)c1ccccn1 ZINC000005309672 168966828 /nfs/dbraw/zinc/96/68/28/168966828.db2.gz BVDLRNCNDDYZCX-AWEZNQCLSA-N 0 0 240.350 3.993 10 0 BHAERN CCCC[C@@H]1CCN(C)c2ccccc21 ZINC000005309794 132317345 /nfs/dbraw/zinc/31/73/45/132317345.db2.gz RUEFPEXHMPRTAX-GFCCVEGCSA-N 0 0 203.329 3.800 10 0 BHAERN CCCC[C@H](Cc1ccccn1)c1ccccn1 ZINC000005310005 169005455 /nfs/dbraw/zinc/00/54/55/169005455.db2.gz BVDLRNCNDDYZCX-CQSZACIVSA-N 0 0 240.350 3.993 10 0 BHAERN CCCC[C@H]1CCN(C)c2ccccc21 ZINC000005310131 132317355 /nfs/dbraw/zinc/31/73/55/132317355.db2.gz RUEFPEXHMPRTAX-LBPRGKRZSA-N 0 0 203.329 3.800 10 0 BHAERN CCCCn1c(C)nc2cc(Cl)ccc21 ZINC000005310453 169033402 /nfs/dbraw/zinc/03/34/02/169033402.db2.gz RMGYAFGWXIGLIT-UHFFFAOYSA-N 0 0 222.719 3.798 10 0 BHAERN CCOc1ccc(N(C)c2ccccc2)cc1 ZINC000005316860 342761896 /nfs/dbraw/zinc/76/18/96/342761896.db2.gz GXTYWFWNCDJBDP-UHFFFAOYSA-N 0 0 227.307 3.853 10 0 BHAERN CN1C[C@H](Cc2ccccc2)Cc2ccccc21 ZINC000005328891 132317803 /nfs/dbraw/zinc/31/78/03/132317803.db2.gz HKPBXQXDTUBDOZ-OAHLLOKOSA-N 0 0 237.346 3.538 10 0 BHAERN CN1C[C@@H](Cc2ccccc2)Cc2ccccc21 ZINC000005328906 132317586 /nfs/dbraw/zinc/31/75/86/132317586.db2.gz HKPBXQXDTUBDOZ-HNNXBMFYSA-N 0 0 237.346 3.538 10 0 BHAERN C[C@@H](c1ccccc1)c1ccc(N(C)C)cc1 ZINC000005330325 176023983 /nfs/dbraw/zinc/02/39/83/176023983.db2.gz PCZZEOGNRZGGBK-ZDUSSCGKSA-N 0 0 225.335 3.904 10 0 BHAERN C[C@@H]1CCCC(=O)[C@@H]1c1cn(C)c2ccccc12 ZINC000005330335 176062422 /nfs/dbraw/zinc/06/24/22/176062422.db2.gz WVRYTMUVVALTPF-BZNIZROVSA-N 0 0 241.334 3.651 10 0 BHAERN C[C@@H]1CCCC(=O)[C@H]1c1cn(C)c2ccccc12 ZINC000005330336 176062350 /nfs/dbraw/zinc/06/23/50/176062350.db2.gz WVRYTMUVVALTPF-BDJLRTHQSA-N 0 0 241.334 3.651 10 0 BHAERN C[C@H](c1ccccc1)c1ccc(N(C)C)cc1 ZINC000005330408 188277310 /nfs/dbraw/zinc/27/73/10/188277310.db2.gz PCZZEOGNRZGGBK-CYBMUJFWSA-N 0 0 225.335 3.904 10 0 BHAERN C[C@H]1CCCC(=O)[C@@H]1c1cn(C)c2ccccc12 ZINC000005330418 177069619 /nfs/dbraw/zinc/06/96/19/177069619.db2.gz WVRYTMUVVALTPF-ZBEGNZNMSA-N 0 0 241.334 3.651 10 0 BHAERN C[C@H]1CCCC(=O)[C@H]1c1cn(C)c2ccccc12 ZINC000005330419 177069682 /nfs/dbraw/zinc/06/96/82/177069682.db2.gz WVRYTMUVVALTPF-MEDUHNTESA-N 0 0 241.334 3.651 10 0 BHAERN C[C@H]1CN(C)c2ccccc2[C@H]1c1ccccc1 ZINC000005330430 132317808 /nfs/dbraw/zinc/31/78/08/132317808.db2.gz GIFNDCZFKWTDLQ-SUMWQHHRSA-N 0 0 237.346 3.904 10 0 BHAERN Cc1cc(Cc2cc3ccccc3n2C)oc1C ZINC000005330642 178059374 /nfs/dbraw/zinc/05/93/74/178059374.db2.gz NLYNAQLBBGWMMB-UHFFFAOYSA-N 0 0 239.318 3.979 10 0 BHAERN Cn1cc([C@@H]2CCCCCC2=O)c2ccccc21 ZINC000005331240 180665076 /nfs/dbraw/zinc/66/50/76/180665076.db2.gz JNFUATXAGBKKIU-ZDUSSCGKSA-N 0 0 241.334 3.795 10 0 BHAERN Cn1cc([C@H]2CCCCCC2=O)c2ccccc21 ZINC000005331242 180672150 /nfs/dbraw/zinc/67/21/50/180672150.db2.gz JNFUATXAGBKKIU-CYBMUJFWSA-N 0 0 241.334 3.795 10 0 BHAERN S=C1N=NC2(CCCCC2)N1c1ccccc1 ZINC000005331765 183312109 /nfs/dbraw/zinc/31/21/09/183312109.db2.gz LZMWLTXXQVINEX-UHFFFAOYSA-N 0 0 245.351 3.904 10 0 BHAERN c1ccc([C@@H]2Cc3cccc4c3N(CCC4)C2)cc1 ZINC000005331948 132317732 /nfs/dbraw/zinc/31/77/32/132317732.db2.gz OVQVSYKVBRPAQT-QGZVFWFLSA-N 0 0 249.357 3.779 10 0 BHAERN c1ccc([C@H]2CCN3CCCc4cccc2c43)cc1 ZINC000005332001 132317611 /nfs/dbraw/zinc/31/76/11/132317611.db2.gz VCYSDKWGFHSXLO-MRXNPFEDSA-N 0 0 249.357 3.975 10 0 BHAERN c1ccc([C@H]2Cc3cccc4c3N(CCC4)C2)cc1 ZINC000005332018 132317591 /nfs/dbraw/zinc/31/75/91/132317591.db2.gz OVQVSYKVBRPAQT-KRWDZBQOSA-N 0 0 249.357 3.779 10 0 BHAERN c1cc(-c2ccncc2)c(-c2ccccc2)[nH]1 ZINC000005332037 183378458 /nfs/dbraw/zinc/37/84/58/183378458.db2.gz BURWKCGARQIDHY-UHFFFAOYSA-N 0 0 220.275 3.744 10 0 BHAERN CC[C@H](O)C(c1ccccc1)c1ccccc1 ZINC000005336939 171553640 /nfs/dbraw/zinc/55/36/40/171553640.db2.gz TYDVVIYAUOVBSU-HNNXBMFYSA-N 0 0 226.319 3.589 10 0 BHAERN Oc1ccc(Nc2nc3ccccc3s2)cc1 ZINC000005338686 183276603 /nfs/dbraw/zinc/27/66/03/183276603.db2.gz UDMCMTZJPDRNDO-UHFFFAOYSA-N 0 0 242.303 3.746 10 0 BHAERN Oc1ccccc1Nc1nc2ccccc2s1 ZINC000005338688 183303249 /nfs/dbraw/zinc/30/32/49/183303249.db2.gz CANWXCCURXVOTP-UHFFFAOYSA-N 0 0 242.303 3.746 10 0 BHAERN CCn1c(-c2ccccc2)csc1=S ZINC000005341875 172131418 /nfs/dbraw/zinc/13/14/18/172131418.db2.gz PZHPVNNBZFFIQF-UHFFFAOYSA-N 0 0 221.350 3.966 10 0 BHAERN CC(C)(c1ccccc1)c1ccccc1O ZINC000005358059 342762489 /nfs/dbraw/zinc/76/24/89/342762489.db2.gz CJWNFAKWHDOUKL-UHFFFAOYSA-N 0 0 212.292 3.718 10 0 BHAERN CC(=O)NC1CCCCCCCCCCC1 ZINC000005378205 187757841 /nfs/dbraw/zinc/75/78/41/187757841.db2.gz BCXBTLDWXHHRPN-UHFFFAOYSA-N 0 0 225.376 3.796 10 0 BHAERN Cn1cc(-c2ccccc2)c2ccccc21 ZINC000005394716 342763377 /nfs/dbraw/zinc/76/33/77/342763377.db2.gz CXQGBMJSAAFWDF-UHFFFAOYSA-N 0 0 207.276 3.845 10 0 BHAERN Cc1ccc(C(=O)[C@@H](C)Oc2ccccc2)cc1 ZINC000005413596 178443985 /nfs/dbraw/zinc/44/39/85/178443985.db2.gz MWUPCVGNAQAIQK-CYBMUJFWSA-N 0 0 240.302 3.645 10 0 BHAERN COC1=C[C@H](c2ccc(C)cc2)CCC1 ZINC000005416444 174013828 /nfs/dbraw/zinc/01/38/28/174013828.db2.gz UWHJUIAUWNRREQ-CYBMUJFWSA-N 0 0 202.297 3.793 10 0 BHAERN COC1=C[C@@H](c2ccc(C)cc2)CCC1 ZINC000005416800 174014623 /nfs/dbraw/zinc/01/46/23/174014623.db2.gz UWHJUIAUWNRREQ-ZDUSSCGKSA-N 0 0 202.297 3.793 10 0 BHAERN CCC(O)(CC)CCCCC(O)(CC)CC ZINC000005417126 168417109 /nfs/dbraw/zinc/41/71/09/168417109.db2.gz NWUNOOIKTBKSCL-UHFFFAOYSA-N 0 0 230.392 3.649 10 0 BHAERN Cc1ccc(Cc2cc(C)c(C)o2)s1 ZINC000005417709 178654585 /nfs/dbraw/zinc/65/45/85/178654585.db2.gz NABMZDAETYNZES-UHFFFAOYSA-N 0 0 206.310 3.857 10 0 BHAERN Cc1ccc([C@@H]2CCCCCC2=O)s1 ZINC000005417766 397735840 /nfs/dbraw/zinc/73/58/40/397735840.db2.gz DFFHKPWOEZHIDA-SNVBAGLBSA-N 0 0 208.326 3.673 10 0 BHAERN Cc1ccc([C@@H]2CCCC[C@H](C)C2=O)s1 ZINC000005417770 178871775 /nfs/dbraw/zinc/87/17/75/178871775.db2.gz GTBRQHORWDSFHV-ONGXEEELSA-N 0 0 222.353 3.919 10 0 BHAERN Cc1ccc([C@H]2CCCCCC2=O)s1 ZINC000005417833 346215402 /nfs/dbraw/zinc/21/54/02/346215402.db2.gz DFFHKPWOEZHIDA-JTQLQIEISA-N 0 0 208.326 3.673 10 0 BHAERN Cc1ccc([C@H]2CCCC[C@@H](C)C2=O)s1 ZINC000005417839 178918479 /nfs/dbraw/zinc/91/84/79/178918479.db2.gz GTBRQHORWDSFHV-MWLCHTKSSA-N 0 0 222.353 3.919 10 0 BHAERN Cc1ccc([C@@H]2C(=O)CCC[C@@H]2C)s1 ZINC000005417854 178869981 /nfs/dbraw/zinc/86/99/81/178869981.db2.gz MODGQNVYTIOLCC-UFBFGSQYSA-N 0 0 208.326 3.529 10 0 BHAERN Cc1cccc(CC(=O)Cc2cccc(C)c2)c1 ZINC000005418435 187929576 /nfs/dbraw/zinc/92/95/76/187929576.db2.gz WGDOQXLDQCLKHA-UHFFFAOYSA-N 0 0 238.330 3.658 10 0 BHAERN Cc1cccc(-c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000005425057 342763927 /nfs/dbraw/zinc/76/39/27/342763927.db2.gz DIFHNJNBZCBMEY-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN CC(C)COC(CC(C)C)OCC(C)C ZINC000005440682 167023736 /nfs/dbraw/zinc/02/37/36/167023736.db2.gz XQJQKXSIFKNEPF-UHFFFAOYSA-N 0 0 216.365 3.704 10 0 BHAERN CC[C@@H](C)c1ccc(NC(=O)C(C)C)cc1 ZINC000005467947 384118946 /nfs/dbraw/zinc/11/89/46/384118946.db2.gz MDAVBJXRAVQHIB-LLVKDONJSA-N 0 0 219.328 3.795 10 0 BHAERN CCCCc1ccc(NC(=O)OCC)cc1 ZINC000005468030 169020243 /nfs/dbraw/zinc/02/02/43/169020243.db2.gz HQVJGPLUDMQJOD-UHFFFAOYSA-N 0 0 221.300 3.598 10 0 BHAERN CC[C@H](C)c1ccc(NC(=O)C(C)C)cc1 ZINC000005468775 384118900 /nfs/dbraw/zinc/11/89/00/384118900.db2.gz MDAVBJXRAVQHIB-NSHDSACASA-N 0 0 219.328 3.795 10 0 BHAERN COc1ccc(Nc2ccccc2C(C)=O)cc1 ZINC000005481299 187247959 /nfs/dbraw/zinc/24/79/59/187247959.db2.gz AZOUKPUIPPGGHQ-UHFFFAOYSA-N 0 0 241.290 3.641 10 0 BHAERN CC(=O)c1ccccc1Nc1ccccc1 ZINC000005481303 384118915 /nfs/dbraw/zinc/11/89/15/384118915.db2.gz SHYRNAJCPIECFE-UHFFFAOYSA-N 0 0 211.264 3.633 10 0 BHAERN Oc1ccccc1CSc1ccccc1 ZINC000005485687 183302968 /nfs/dbraw/zinc/30/29/68/183302968.db2.gz ZCXPUQBKCXGWFP-UHFFFAOYSA-N 0 0 216.305 3.685 10 0 BHAERN O[C@H](c1cc2ccccc2s1)c1ccccc1 ZINC000005487522 183186135 /nfs/dbraw/zinc/18/61/35/183186135.db2.gz ILMXGRVAPAQFTQ-HNNXBMFYSA-N 0 0 240.327 3.983 10 0 BHAERN c1ccc([C@@H]2CCOc3ccccc32)cc1 ZINC000005488299 560202267 /nfs/dbraw/zinc/20/22/67/560202267.db2.gz PFEQKJXHQOTTKE-ZDUSSCGKSA-N 0 0 210.276 3.601 10 0 in-vitro BHAERN O[C@@H](c1cc2ccccc2s1)c1ccccc1 ZINC000005489539 183229491 /nfs/dbraw/zinc/22/94/91/183229491.db2.gz ILMXGRVAPAQFTQ-OAHLLOKOSA-N 0 0 240.327 3.983 10 0 BHAERN c1ccc([C@H]2CCOc3ccccc32)cc1 ZINC000005489821 560202243 /nfs/dbraw/zinc/20/22/43/560202243.db2.gz PFEQKJXHQOTTKE-CYBMUJFWSA-N 0 0 210.276 3.601 10 0 in-vitro BHAERN CCCCCCP(=O)(OCC)OCC ZINC000005512275 168673219 /nfs/dbraw/zinc/67/32/19/168673219.db2.gz VVUJWLDQIIFQHI-UHFFFAOYSA-N 0 0 222.265 3.833 10 0 BHAERN CCCCCCC(=O)[C@@H](O)CCCCCC ZINC000005512309 342765255 /nfs/dbraw/zinc/76/52/55/342765255.db2.gz PQESRTWBQJRGON-ZDUSSCGKSA-N 0 0 228.376 3.857 10 0 BHAERN CCCCCC[C@@H](O)[C@@H](O)CCCCCC ZINC000005512422 342765230 /nfs/dbraw/zinc/76/52/30/342765230.db2.gz XKZGHFFSJSBUFA-OKILXGFUSA-N 0 0 230.392 3.649 10 0 BHAERN CCCCCC[C@H](O)[C@@H](O)CCCCCC ZINC000005512432 168679246 /nfs/dbraw/zinc/67/92/46/168679246.db2.gz XKZGHFFSJSBUFA-KBPBESRZSA-N 0 0 230.392 3.649 10 0 BHAERN CCCCCCC(=O)[C@H](O)CCCCCC ZINC000005512474 342765112 /nfs/dbraw/zinc/76/51/12/342765112.db2.gz PQESRTWBQJRGON-CYBMUJFWSA-N 0 0 228.376 3.857 10 0 BHAERN CCCCCC[C@@H](O)[C@H](O)CCCCCC ZINC000005512583 342765116 /nfs/dbraw/zinc/76/51/16/342765116.db2.gz XKZGHFFSJSBUFA-ZIAGYGMSSA-N 0 0 230.392 3.649 10 0 BHAERN CCCCC[C@@H](CC)OC(=O)CCC ZINC000005513256 571689550 /nfs/dbraw/zinc/68/95/50/571689550.db2.gz USSKZVIXWTWCGK-LLVKDONJSA-N 0 0 200.322 3.689 10 0 endogenous,in-man BHAERN CCCCC[C@H](CC)OC(=O)CCC ZINC000005513417 168744724 /nfs/dbraw/zinc/74/47/24/168744724.db2.gz USSKZVIXWTWCGK-NSHDSACASA-N 0 0 200.322 3.689 10 0 endogenous,in-man BHAERN Cc1cccc(C(=O)Oc2cc(C)cc(C)c2)c1 ZINC000005548010 177911501 /nfs/dbraw/zinc/91/15/01/177911501.db2.gz KOXGVGQBHWUCCS-UHFFFAOYSA-N 0 0 240.302 3.831 10 0 BHAERN Cc1ccccc1C(=O)Oc1c(C)cccc1C ZINC000005549107 179254309 /nfs/dbraw/zinc/25/43/09/179254309.db2.gz XAMLNQCUJUZQEI-UHFFFAOYSA-N 0 0 240.302 3.831 10 0 BHAERN Cc1cc(C)cc(OC(=O)c2ccccc2C)c1 ZINC000005549108 177910593 /nfs/dbraw/zinc/91/05/93/177910593.db2.gz KQHWCEXXLBPFQU-UHFFFAOYSA-N 0 0 240.302 3.831 10 0 BHAERN COC(=O)c1ccccc1Nc1ccc(C)cc1 ZINC000005588000 342766731 /nfs/dbraw/zinc/76/67/31/342766731.db2.gz ZOMPXSOAWQYBGP-UHFFFAOYSA-N 0 0 241.290 3.525 10 0 BHAERN COC(=O)c1ccccc1Nc1ccccc1C ZINC000005588612 342766750 /nfs/dbraw/zinc/76/67/50/342766750.db2.gz QFTCUEDXEQPNHF-UHFFFAOYSA-N 0 0 241.290 3.525 10 0 BHAERN Nc1ccccc1/C=C/c1ccc2ccccc2n1 ZINC000005590254 342766715 /nfs/dbraw/zinc/76/67/15/342766715.db2.gz HDQDVWGCPWICJD-PKNBQFBNSA-N 0 0 246.313 3.987 10 0 BHAERN Clc1cccc(Oc2cccnc2)c1 ZINC000005590494 180591983 /nfs/dbraw/zinc/59/19/83/180591983.db2.gz BENAOXJXCWCSKO-UHFFFAOYSA-N 0 0 205.644 3.527 10 0 BHAERN c1coc(-c2cccn2-c2ccccc2)c1 ZINC000005595467 183386446 /nfs/dbraw/zinc/38/64/46/183386446.db2.gz KCMOGWILCKJMIR-UHFFFAOYSA-N 0 0 209.248 3.737 10 0 BHAERN Oc1ccc(Sc2ccccc2)cc1 ZINC000005604184 384122065 /nfs/dbraw/zinc/12/20/65/384122065.db2.gz XAYCNCYFKLSMGR-UHFFFAOYSA-N 0 0 202.278 3.543 10 0 BHAERN CCCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005614656 168554393 /nfs/dbraw/zinc/55/43/93/168554393.db2.gz BPENQSFBAIOBDA-IKMFHRHGSA-N 0 0 249.398 3.508 10 0 BHAERN Cc1ccc(/C=C/C(=O)Nc2cccc(C)c2)o1 ZINC000005619583 179124425 /nfs/dbraw/zinc/12/44/25/179124425.db2.gz DCCDXSAGPRWOJH-CMDGGOBGSA-N 0 0 241.290 3.548 10 0 BHAERN Cc1c(=O)[nH]c2ccccc2c1-c1ccccc1 ZINC000005634678 369028803 /nfs/dbraw/zinc/02/88/03/369028803.db2.gz WRXGEZLZGNKKGJ-UHFFFAOYSA-N 0 0 235.286 3.504 10 0 BHAERN c1ccc2[nH]c(CC3CCCCC3)nc2c1 ZINC000005635518 183434364 /nfs/dbraw/zinc/43/43/64/183434364.db2.gz SZJSSIDSLVUEES-UHFFFAOYSA-N 0 0 214.312 3.686 10 0 BHAERN C=Cn1c2ccccc2nc1Cc1ccccc1 ZINC000005639158 187412740 /nfs/dbraw/zinc/41/27/40/187412740.db2.gz HZJCRLVRMFAGEK-UHFFFAOYSA-N 0 0 234.302 3.728 10 0 BHAERN CCCCOC(=O)Nc1ccc(Cl)cc1C ZINC000005707669 168886125 /nfs/dbraw/zinc/88/61/25/168886125.db2.gz XVBIYRPQVZGJPM-UHFFFAOYSA-N 0 0 241.718 3.997 10 0 BHAERN CCCOC(=O)Nc1c(C)cc(C)cc1Cl ZINC000005708049 169298713 /nfs/dbraw/zinc/29/87/13/169298713.db2.gz UEAGTOOXLGZIMM-UHFFFAOYSA-N 0 0 241.718 3.915 10 0 BHAERN CCC(=O)CCCCC(=O)CCC(C)C ZINC000005710597 168198006 /nfs/dbraw/zinc/19/80/06/168198006.db2.gz OLEHOHZDNJFDBY-UHFFFAOYSA-N 0 0 212.333 3.531 10 0 BHAERN Cc1nc2ccc(C(F)(F)F)cc2s1 ZINC000005712589 180091509 /nfs/dbraw/zinc/09/15/09/180091509.db2.gz CBGMIMSUXKQTOL-UHFFFAOYSA-N 0 0 217.215 3.624 10 0 BHAERN ON(/C=C1\C=Nc2ccccc21)c1ccccc1 ZINC000005731446 397869314 /nfs/dbraw/zinc/86/93/14/397869314.db2.gz YIWOFXAYADWJRK-VAWYXSNFSA-N 0 0 236.274 3.639 10 0 BHAERN CSc1ccc2ccc(C(F)(F)F)nc2c1 ZINC000005738994 346627269 /nfs/dbraw/zinc/62/72/69/346627269.db2.gz DLSZAHUNYBYGLL-UHFFFAOYSA-N 0 0 243.253 3.976 10 0 BHAERN Cc1ccc2ccc(C(F)(F)F)nc2c1 ZINC000005740528 347223678 /nfs/dbraw/zinc/22/36/78/347223678.db2.gz PHLJKUAHHBRYOG-UHFFFAOYSA-N 0 0 211.186 3.562 10 0 BHAERN Cc1ccccc1-c1n[nH]c(-c2ccccc2C)n1 ZINC000005748595 179236988 /nfs/dbraw/zinc/23/69/88/179236988.db2.gz CJJLZZUJURYVAA-UHFFFAOYSA-N 0 0 249.317 3.756 10 0 BHAERN C[C@H]1[C@H]2C(=O)C[C@@H]3[C@H]2C(C)(C)CCC[C@@]31C ZINC000005752293 290719653 /nfs/dbraw/zinc/71/96/53/290719653.db2.gz XROGGPRBZBLTOH-DPXGPQMFSA-N 0 0 220.356 3.674 10 0 biogenic BHAERN Cc1ccc(Oc2ncnc3ccccc32)cc1 ZINC000005752700 369030691 /nfs/dbraw/zinc/03/06/91/369030691.db2.gz RYQRFBXNPRWIHD-UHFFFAOYSA-N 0 0 236.274 3.731 10 0 BHAERN CC(C)Cc1cccc(CC(C)C)c1O ZINC000005760170 369030386 /nfs/dbraw/zinc/03/03/86/369030386.db2.gz JRPBSTGRRSTANR-UHFFFAOYSA-N 0 0 206.329 3.789 10 0 BHAERN COc1ccc2cc(C(C)C)ccc2c1 ZINC000005761661 175223910 /nfs/dbraw/zinc/22/39/10/175223910.db2.gz AAKRTZRMVMTCPV-UHFFFAOYSA-N 0 0 200.281 3.972 10 0 BHAERN CC(OCc1ccccc1)OCc1ccccc1 ZINC000005761733 384130417 /nfs/dbraw/zinc/13/04/17/384130417.db2.gz RFRXYOZZAPXFFD-UHFFFAOYSA-N 0 0 242.318 3.766 10 0 BHAERN CC1(C)[C@H]2CC(=O)CC(C)(C)[C@]23CC[C@H]1C3 ZINC000005762104 342765887 /nfs/dbraw/zinc/76/58/87/342765887.db2.gz MWPBNGVYOHBVGM-NVBFEUDRSA-N 0 0 220.356 3.818 10 0 BHAERN CC1(C)C[C@H]2[C@@H](CCCC2(C)C)CC1=O ZINC000005762248 349273061 /nfs/dbraw/zinc/27/30/61/349273061.db2.gz DGPIAHAFWKJURE-QWRGUYRKSA-N 0 0 208.345 3.818 10 0 BHAERN CC1(C)C[C@@H]2[C@@H](CCCC2(C)C)CC1=O ZINC000005762249 349272946 /nfs/dbraw/zinc/27/29/46/349272946.db2.gz DGPIAHAFWKJURE-WDEREUQCSA-N 0 0 208.345 3.818 10 0 BHAERN CC1(C)C[C@H]2[C@H](CCCC2(C)C)CC1=O ZINC000005762271 398045413 /nfs/dbraw/zinc/04/54/13/398045413.db2.gz DGPIAHAFWKJURE-MNOVXSKESA-N 0 0 208.345 3.818 10 0 BHAERN CC1(C)C[C@@H]2[C@H](CCCC2(C)C)CC1=O ZINC000005762272 349273264 /nfs/dbraw/zinc/27/32/64/349273264.db2.gz DGPIAHAFWKJURE-GHMZBOCLSA-N 0 0 208.345 3.818 10 0 BHAERN CC1(C)C[C@@]23[C@H]1CC[C@@]2(C)CCC[C@@]3(C)O ZINC000005762483 571689303 /nfs/dbraw/zinc/68/93/03/571689303.db2.gz ZEQZCZRDJPTCHI-ZGKBOVNRSA-N 0 0 222.372 3.754 10 0 endogenous,in-man BHAERN CC1(C)C[C@@]23[C@H]1CC[C@@]2(C)CCC[C@]3(C)O ZINC000005762484 571689601 /nfs/dbraw/zinc/68/96/01/571689601.db2.gz ZEQZCZRDJPTCHI-PMOUVXMZSA-N 0 0 222.372 3.754 10 0 endogenous,in-man BHAERN CC1(C)C[C@]23[C@H]1CC[C@@]2(C)CCC[C@@]3(C)O ZINC000005762558 571689168 /nfs/dbraw/zinc/68/91/68/571689168.db2.gz ZEQZCZRDJPTCHI-MYPMTAMASA-N 0 0 222.372 3.754 10 0 endogenous,in-man BHAERN CC1(C)C[C@]23[C@H]1CC[C@@]2(C)CCC[C@]3(C)O ZINC000005762559 571689584 /nfs/dbraw/zinc/68/95/84/571689584.db2.gz ZEQZCZRDJPTCHI-ATGSNQNLSA-N 0 0 222.372 3.754 10 0 endogenous,in-man BHAERN Cc1ccc(O)c(C2(C)CCCCC2)c1 ZINC000005765305 178788768 /nfs/dbraw/zinc/78/87/68/178788768.db2.gz MQVDCVRWVSDQNN-UHFFFAOYSA-N 0 0 204.313 3.922 10 0 BHAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([C@@H]1CCC[C@H](O)C1)C2 ZINC000005765410 168003696 /nfs/dbraw/zinc/00/36/96/168003696.db2.gz IGEVVMFDMLDFFU-NJURLYQPSA-N 0 0 236.399 4.000 10 0 BHAERN CC1(C)[C@H]2CC[C@]1(C)[C@H]([C@@H]1CCC[C@H](O)C1)C2 ZINC000005765776 168010531 /nfs/dbraw/zinc/01/05/31/168010531.db2.gz IGEVVMFDMLDFFU-XSEXMBABSA-N 0 0 236.399 4.000 10 0 BHAERN CC1=C(/C=C/[C@@H](C)C=O)C(C)(C)CCC1 ZINC000005766309 342769751 /nfs/dbraw/zinc/76/97/51/342769751.db2.gz HVDGAAPQCCUWDO-WSKFYRRCSA-N 0 0 206.329 3.904 10 0 BHAERN CC1=C(/C=C/[C@H](C)C=O)C(C)(C)CCC1 ZINC000005766313 342769783 /nfs/dbraw/zinc/76/97/83/342769783.db2.gz HVDGAAPQCCUWDO-AEZGRPFRSA-N 0 0 206.329 3.904 10 0 BHAERN CC(C)=CC[C@@H]1C(C)=CCC[C@@H]1C(C)=O ZINC000005767030 187566725 /nfs/dbraw/zinc/56/67/25/187566725.db2.gz ZHYAKXDSFODDQC-ZIAGYGMSSA-N 0 0 206.329 3.904 10 0 BHAERN CC(C)=CC[C@H]1C(C)=CCC[C@@H]1C(C)=O ZINC000005767033 188277797 /nfs/dbraw/zinc/27/77/97/188277797.db2.gz ZHYAKXDSFODDQC-UONOGXRCSA-N 0 0 206.329 3.904 10 0 BHAERN CC(C)=CC[C@@H]1C(C)=CCC[C@H]1C(C)=O ZINC000005767040 358428701 /nfs/dbraw/zinc/42/87/01/358428701.db2.gz ZHYAKXDSFODDQC-KGLIPLIRSA-N 0 0 206.329 3.904 10 0 BHAERN CC(C)=CC[C@H]1C(C)=CCC[C@H]1C(C)=O ZINC000005767044 342769694 /nfs/dbraw/zinc/76/96/94/342769694.db2.gz ZHYAKXDSFODDQC-KBPBESRZSA-N 0 0 206.329 3.904 10 0 BHAERN CC1=CCC[C@@]2(C)C1=CC(=O)O[C@@H]2c1ccoc1 ZINC000005767047 168101212 /nfs/dbraw/zinc/10/12/12/168101212.db2.gz PFXGEOGHUCCQPU-CABCVRRESA-N 0 0 244.290 3.550 10 0 BHAERN CC1=C(COC(=O)[C@H]2CC=C(C)CC2)CCC1 ZINC000005767119 168120639 /nfs/dbraw/zinc/12/06/39/168120639.db2.gz QVMDOXGXVOCCHI-ZDUSSCGKSA-N 0 0 234.339 3.776 10 0 BHAERN CC1=CC[C@H]([C@]2(C)CCC(=O)C(C)(C)O2)CC1 ZINC000005767129 168121780 /nfs/dbraw/zinc/12/17/80/168121780.db2.gz MJWZYBQLHJQQJJ-WFASDCNBSA-N 0 0 236.355 3.650 10 0 BHAERN CC(C)=CC[C@H]1C[C@@H](C(C)=O)CC=C1C ZINC000005767147 187249046 /nfs/dbraw/zinc/24/90/46/187249046.db2.gz AAKUUHILWZWNCL-KBPBESRZSA-N 0 0 206.329 3.904 10 0 BHAERN CC(C)=CC[C@@H]1C[C@@H](C(C)=O)CC=C1C ZINC000005767159 188387627 /nfs/dbraw/zinc/38/76/27/188387627.db2.gz AAKUUHILWZWNCL-KGLIPLIRSA-N 0 0 206.329 3.904 10 0 BHAERN CC1=CC[C@]2(C)CC[C@H](C(C)C)[C@@]2(O)CC1 ZINC000005767209 168122224 /nfs/dbraw/zinc/12/22/24/168122224.db2.gz XZYQCFABZDVOPN-KFWWJZLASA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN CC1=CC[C@@H](CC[C@@H](C)[C@@H](C)O)C1(C)C ZINC000005767239 168116996 /nfs/dbraw/zinc/11/69/96/168116996.db2.gz NGYMOTOXXHCHOC-RAIGVLPGSA-N 0 0 210.361 3.776 10 0 BHAERN CC1=CC[C@@H](CC[C@H](C)[C@@H](C)O)C1(C)C ZINC000005767242 168117151 /nfs/dbraw/zinc/11/71/51/168117151.db2.gz NGYMOTOXXHCHOC-CYZMBNFOSA-N 0 0 210.361 3.776 10 0 BHAERN CC1=C(COC(=O)[C@@H]2CC=C(C)CC2)CCC1 ZINC000005767252 168117132 /nfs/dbraw/zinc/11/71/32/168117132.db2.gz QVMDOXGXVOCCHI-CYBMUJFWSA-N 0 0 234.339 3.776 10 0 BHAERN CC1=CC[C@@H]([C@]2(C)CCC(=O)C(C)(C)O2)CC1 ZINC000005767265 168119849 /nfs/dbraw/zinc/11/98/49/168119849.db2.gz MJWZYBQLHJQQJJ-DOMZBBRYSA-N 0 0 236.355 3.650 10 0 BHAERN CC1=CC[C@@H]([C@@]2(C)CCC(=O)C(C)(C)O2)CC1 ZINC000005767274 168118803 /nfs/dbraw/zinc/11/88/03/168118803.db2.gz MJWZYBQLHJQQJJ-IUODEOHRSA-N 0 0 236.355 3.650 10 0 BHAERN CC(C)=CC[C@H]1C[C@H](C(C)=O)CC=C1C ZINC000005767280 187248700 /nfs/dbraw/zinc/24/87/00/187248700.db2.gz AAKUUHILWZWNCL-UONOGXRCSA-N 0 0 206.329 3.904 10 0 BHAERN CC(C)=CC[C@@H]1C[C@H](C(C)=O)CC=C1C ZINC000005767288 387515503 /nfs/dbraw/zinc/51/55/03/387515503.db2.gz AAKUUHILWZWNCL-ZIAGYGMSSA-N 0 0 206.329 3.904 10 0 BHAERN CC1=C[C@@H]2[C@@H](CC1)[C@@](C)(O)CC[C@H]2C(C)C ZINC000005767672 168131719 /nfs/dbraw/zinc/13/17/19/168131719.db2.gz LHYHMMRYTDARSZ-XQLPTFJDSA-N 0 0 222.372 3.776 10 0 endogenous,in-man BHAERN CCC(=O)C/C=C/[C@H]1CC=C(C)C1(C)C ZINC000005768039 168196771 /nfs/dbraw/zinc/19/67/71/168196771.db2.gz YZZSBPWKVIUTHA-SYTKJHMZSA-N 0 0 206.329 3.904 10 0 BHAERN CCC(=O)OCCCCCCC(C)C ZINC000005768258 168249361 /nfs/dbraw/zinc/24/93/61/168249361.db2.gz KOODESFNSDRUNJ-UHFFFAOYSA-N 0 0 200.322 3.546 10 0 BHAERN O=C1CCCC[C@H]1Oc1cccc2ccccc21 ZINC000005777417 342769774 /nfs/dbraw/zinc/76/97/74/342769774.db2.gz XXGVNKBVPMFYFE-MRXNPFEDSA-N 0 0 240.302 3.730 10 0 BHAERN O=C1CCCC[C@@H]1Oc1cccc2ccccc21 ZINC000005777420 342769804 /nfs/dbraw/zinc/76/98/04/342769804.db2.gz XXGVNKBVPMFYFE-INIZCTEOSA-N 0 0 240.302 3.730 10 0 BHAERN c1ncc2c(n1)CCCCCCCCCC2 ZINC000005784239 342769983 /nfs/dbraw/zinc/76/99/83/342769983.db2.gz CXLMQNDFKHWBOQ-UHFFFAOYSA-N 0 0 218.344 3.696 10 0 BHAERN CCCC(CCC)C(OCC)OCC ZINC000005819720 346632259 /nfs/dbraw/zinc/63/22/59/346632259.db2.gz TWXSZPRZLKECAG-UHFFFAOYSA-N 0 0 202.338 3.602 10 0 BHAERN CCCC1=CN2C[C@H](c3ccccc3)N=C2S1 ZINC000005819832 168603458 /nfs/dbraw/zinc/60/34/58/168603458.db2.gz LHHLJNRWPSNBRY-CYBMUJFWSA-N 0 0 244.363 3.788 10 0 BHAERN CCCC1=CN2C[C@@H](c3ccccc3)N=C2S1 ZINC000005819833 168602975 /nfs/dbraw/zinc/60/29/75/168602975.db2.gz LHHLJNRWPSNBRY-ZDUSSCGKSA-N 0 0 244.363 3.788 10 0 BHAERN CCCCC/C=C/C(OCC)OCC ZINC000005819955 188277327 /nfs/dbraw/zinc/27/73/27/188277327.db2.gz VTQPINQQQFJLGG-ZHACJKMWSA-N 0 0 200.322 3.522 10 0 BHAERN CCCCC/C=C/C=C/C(=O)OCCC ZINC000005820001 574412625 /nfs/dbraw/zinc/41/26/25/574412625.db2.gz RKDOXCGYGLYOBV-BNFZFUHLSA-N 0 0 210.317 3.632 10 0 endogenous,in-man BHAERN CCCCCCC(C)(C)C(=O)OCC ZINC000005820247 346632432 /nfs/dbraw/zinc/63/24/32/346632432.db2.gz SDPOPABRGIAPNC-UHFFFAOYSA-N 0 0 200.322 3.546 10 0 BHAERN CCCCCC[C@@](C)(CC)OC(C)=O ZINC000005820506 384131970 /nfs/dbraw/zinc/13/19/70/384131970.db2.gz HVPKIOUHNVOKDK-GFCCVEGCSA-N 0 0 200.322 3.689 10 0 BHAERN CCCCCC[C@](C)(CC)OC(C)=O ZINC000005820609 384132030 /nfs/dbraw/zinc/13/20/30/384132030.db2.gz HVPKIOUHNVOKDK-LBPRGKRZSA-N 0 0 200.322 3.689 10 0 BHAERN CCCCC[C@@H]1[C@H](C)CC[C@@H]1OC(C)=O ZINC000005820919 168746007 /nfs/dbraw/zinc/74/60/07/168746007.db2.gz QPFLWOSNOVCWND-RTXFEEFZSA-N 0 0 212.333 3.545 10 0 BHAERN CCCCC[C@@H]1[C@@H](C)CC[C@@H]1OC(C)=O ZINC000005820928 384132487 /nfs/dbraw/zinc/13/24/87/384132487.db2.gz QPFLWOSNOVCWND-UHTWSYAYSA-N 0 0 212.333 3.545 10 0 BHAERN C/C=C\C(=O)Nc1cc(Cl)ccc1Cl ZINC000005826259 386174803 /nfs/dbraw/zinc/17/48/03/386174803.db2.gz HXXKJUAGZWEWLK-IHWYPQMZSA-N 0 0 230.094 3.508 10 0 BHAERN CCCCc1cc(OC)c2sccc2c1O ZINC000005831895 169018332 /nfs/dbraw/zinc/01/83/32/169018332.db2.gz NIYUQHLFECQAAU-UHFFFAOYSA-N 0 0 236.336 3.958 10 0 BHAERN CCCCc1cc(OC)c2ccccc2c1O ZINC000005831952 169017709 /nfs/dbraw/zinc/01/77/09/169017709.db2.gz AXXSITVSEZLWHJ-UHFFFAOYSA-N 0 0 230.307 3.897 10 0 BHAERN Cc1cccc(C(=O)c2ccccc2)c1C ZINC000005834771 179026822 /nfs/dbraw/zinc/02/68/22/179026822.db2.gz ZSQCNVWYBBKUHS-UHFFFAOYSA-N 0 0 210.276 3.534 10 0 BHAERN CCC[C@@H](C)C1OCC(C)(CCC)CO1 ZINC000005837685 169353886 /nfs/dbraw/zinc/35/38/86/169353886.db2.gz LODLFUCEWWWXPR-PNESKVBLSA-N 0 0 214.349 3.602 10 0 BHAERN CCC[C@@H]1Oc2c(c(C)c(O)c(C)c2C)S1 ZINC000005839919 169444325 /nfs/dbraw/zinc/44/43/25/169444325.db2.gz IGGIBRSAGVJGQR-SNVBAGLBSA-N 0 0 238.352 3.928 10 0 BHAERN CCC[C@H](C)C1OCC(C)(CCC)CO1 ZINC000005841066 384133437 /nfs/dbraw/zinc/13/34/37/384133437.db2.gz LODLFUCEWWWXPR-HIFPTAJRSA-N 0 0 214.349 3.602 10 0 BHAERN CCN1Cc2ccccc2Oc2ccccc21 ZINC000005841276 170040476 /nfs/dbraw/zinc/04/04/76/170040476.db2.gz FGTLOLUVRMGQLG-UHFFFAOYSA-N 0 0 225.291 3.819 10 0 BHAERN CCC[C@H]1Oc2c(c(C)c(O)c(C)c2C)S1 ZINC000005843244 359662194 /nfs/dbraw/zinc/66/21/94/359662194.db2.gz IGGIBRSAGVJGQR-JTQLQIEISA-N 0 0 238.352 3.928 10 0 BHAERN CCOC(=O)O[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000005856381 170244780 /nfs/dbraw/zinc/24/47/80/170244780.db2.gz ZHWLEUGSDGROJS-WDEREUQCSA-N 0 0 228.332 3.764 10 0 BHAERN CCOC(=O)O[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000005856385 170244659 /nfs/dbraw/zinc/24/46/59/170244659.db2.gz ZHWLEUGSDGROJS-GHMZBOCLSA-N 0 0 228.332 3.764 10 0 BHAERN CCOC(=O)O[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000005856396 170244715 /nfs/dbraw/zinc/24/47/15/170244715.db2.gz ZHWLEUGSDGROJS-QWRGUYRKSA-N 0 0 228.332 3.764 10 0 BHAERN CCOC(=O)O[C@H]1CCCC[C@H]1C(C)(C)C ZINC000005856402 170244567 /nfs/dbraw/zinc/24/45/67/170244567.db2.gz ZHWLEUGSDGROJS-MNOVXSKESA-N 0 0 228.332 3.764 10 0 BHAERN CCOC(Cc1ccc(C(C)C)cc1)OCC ZINC000005858591 342770936 /nfs/dbraw/zinc/77/09/36/342770936.db2.gz OBKPLJKFWGCMTP-UHFFFAOYSA-N 0 0 236.355 3.752 10 0 BHAERN CCOc1c(Cl)cc(C)cc1Cl ZINC000005863000 351275906 /nfs/dbraw/zinc/27/59/06/351275906.db2.gz RJPFGDAVUZZKMS-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN CCOc1cc2c(c(C)c1OC)C=CC(C)(C)O2 ZINC000005863210 170528783 /nfs/dbraw/zinc/52/87/83/170528783.db2.gz DNCKBISYXNDIQS-UHFFFAOYSA-N 0 0 248.322 3.587 10 0 BHAERN O=C1CCCC[C@H]1C/C=C/c1ccccc1 ZINC000005870211 369029730 /nfs/dbraw/zinc/02/97/30/369029730.db2.gz FSTALRCSLSFKOP-MRZGDXHCSA-N 0 0 214.308 3.849 10 0 BHAERN O=C1CCCC[C@@H]1C/C=C/c1ccccc1 ZINC000005870216 369029599 /nfs/dbraw/zinc/02/95/99/369029599.db2.gz FSTALRCSLSFKOP-VIIAAUOXSA-N 0 0 214.308 3.849 10 0 BHAERN Cc1cccn2c(N=O)c(-c3ccccc3)nc12 ZINC000005892824 179354073 /nfs/dbraw/zinc/35/40/73/179354073.db2.gz SBHIZJZPZKBXMO-UHFFFAOYSA-N 0 0 237.262 3.708 10 0 BHAERN CCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000005916086 342771663 /nfs/dbraw/zinc/77/16/63/342771663.db2.gz HUTDHWXNOSDRBN-UHFFFAOYSA-N 0 0 237.387 3.890 10 0 BHAERN CC[C@@](O)(c1ccccc1)c1cc(C)ccc1C ZINC000005923843 171194705 /nfs/dbraw/zinc/19/47/05/171194705.db2.gz JQFJSZYEXCMIHI-QGZVFWFLSA-N 0 0 240.346 3.949 10 0 BHAERN Cc1ccc(C)c(Sc2ccncc2)c1 ZINC000005930857 398281110 /nfs/dbraw/zinc/28/11/10/398281110.db2.gz KBGFBIJVLVIURK-UHFFFAOYSA-N 0 0 215.321 3.850 10 0 BHAERN Cc1cccc(Sc2ccccc2N)c1 ZINC000005931256 179176635 /nfs/dbraw/zinc/17/66/35/179176635.db2.gz KZVLGATWJQOWNX-UHFFFAOYSA-N 0 0 215.321 3.728 10 0 BHAERN Cc1cccc(Sc2ccncc2)c1 ZINC000005931257 179176994 /nfs/dbraw/zinc/17/69/94/179176994.db2.gz MIBCHYIMODVJPR-UHFFFAOYSA-N 0 0 201.294 3.541 10 0 BHAERN Cc1ccccc1Sc1ccncc1 ZINC000005931408 179316638 /nfs/dbraw/zinc/31/66/38/179316638.db2.gz MHGYFJLYLBATHB-UHFFFAOYSA-N 0 0 201.294 3.541 10 0 BHAERN O[C@H](c1ccccc1)[C@H]1C[C@H]1c1ccccc1 ZINC000005934274 183229290 /nfs/dbraw/zinc/22/92/90/183229290.db2.gz MQINXSLAFBQJMF-HRCADAONSA-N 0 0 224.303 3.524 10 0 BHAERN O[C@H](c1ccccc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000005934285 183229656 /nfs/dbraw/zinc/22/96/56/183229656.db2.gz MQINXSLAFBQJMF-ARFHVFGLSA-N 0 0 224.303 3.524 10 0 BHAERN O[C@H](c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 ZINC000005934452 183229638 /nfs/dbraw/zinc/22/96/38/183229638.db2.gz MQINXSLAFBQJMF-OWCLPIDISA-N 0 0 224.303 3.524 10 0 BHAERN O[C@H](c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000005934453 183229722 /nfs/dbraw/zinc/22/97/22/183229722.db2.gz MQINXSLAFBQJMF-BZUAXINKSA-N 0 0 224.303 3.524 10 0 BHAERN c1ccc(Oc2cccc3c2CCCN3)cc1 ZINC000005939144 369030871 /nfs/dbraw/zinc/03/08/71/369030871.db2.gz NHKMZUGBCUFWQJ-UHFFFAOYSA-N 0 0 225.291 3.837 10 0 BHAERN Cc1nc2cc(-c3ccccc3)[nH]c2c(Cl)n1 ZINC000005943298 342771856 /nfs/dbraw/zinc/77/18/56/342771856.db2.gz VUPUFJJKPBOWEJ-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN Oc1cc(O)cc(C23CC4CC(CC(C4)C2)C3)c1 ZINC000005943670 369031275 /nfs/dbraw/zinc/03/12/75/369031275.db2.gz JGVWWKMGFNTMRC-UHFFFAOYSA-N 0 0 244.334 3.566 10 0 BHAERN Clc1ccc2oc(-c3ccco3)nc2c1 ZINC000005945264 359662428 /nfs/dbraw/zinc/66/24/28/359662428.db2.gz WIRPQNBGAHXHGX-UHFFFAOYSA-N 0 0 219.627 3.741 10 0 BHAERN Oc1cccc2sc3ccccc3c21 ZINC000005948908 183298980 /nfs/dbraw/zinc/29/89/80/183298980.db2.gz WMULKBIXKMJJBM-UHFFFAOYSA-N 0 0 200.262 3.760 10 0 BHAERN CCCCc1ccc(NC(=O)OCCC)cc1 ZINC000005951827 169020368 /nfs/dbraw/zinc/02/03/68/169020368.db2.gz FDXYTMGXLILIFM-UHFFFAOYSA-N 0 0 235.327 3.988 10 0 BHAERN CCCOC(=O)Nc1cc(Cl)ccc1C ZINC000005951946 169298732 /nfs/dbraw/zinc/29/87/32/169298732.db2.gz DCZOFONUMBUHAB-UHFFFAOYSA-N 0 0 227.691 3.607 10 0 BHAERN CCCOC(=O)Nc1ccc(C(C)C)cc1 ZINC000005951955 169299138 /nfs/dbraw/zinc/29/91/38/169299138.db2.gz LXMHQRFLPKAYAH-UHFFFAOYSA-N 0 0 221.300 3.769 10 0 BHAERN CCCOC(=O)Nc1ccc2ccccc2c1 ZINC000005951962 169299129 /nfs/dbraw/zinc/29/91/29/169299129.db2.gz FMRSYNDYEWBDNJ-UHFFFAOYSA-N 0 0 229.279 3.798 10 0 BHAERN CCCOC(=O)Nc1cccc(Cl)c1C ZINC000005951966 169298664 /nfs/dbraw/zinc/29/86/64/169298664.db2.gz KNTKXIBYKYFMKL-UHFFFAOYSA-N 0 0 227.691 3.607 10 0 BHAERN CCCOC(=O)Nc1ccccc1C(C)C ZINC000005951969 169298369 /nfs/dbraw/zinc/29/83/69/169298369.db2.gz LTYQOLARZPAHCQ-UHFFFAOYSA-N 0 0 221.300 3.769 10 0 BHAERN CCc1ccc(C(=O)c2cccs2)cc1 ZINC000005956354 353561908 /nfs/dbraw/zinc/56/19/08/353561908.db2.gz GODQIIKZEJTEPS-UHFFFAOYSA-N 0 0 216.305 3.542 10 0 in-vitro BHAERN CCc1ccccc1-c1nnc(-c2ccccc2)[nH]1 ZINC000005956811 398281140 /nfs/dbraw/zinc/28/11/40/398281140.db2.gz BQKLBSZNFCZZQE-UHFFFAOYSA-N 0 0 249.317 3.701 10 0 BHAERN CCC1(CC)OC(=O)Nc2ccc(Cl)cc21 ZINC000005964889 168464979 /nfs/dbraw/zinc/46/49/79/168464979.db2.gz BNXXCRBEXYUZLX-UHFFFAOYSA-N 0 0 239.702 3.917 10 0 BHAERN Clc1cn2cc(-c3ccccc3)nc2s1 ZINC000005974825 384140133 /nfs/dbraw/zinc/14/01/33/384140133.db2.gz XIUKNISDRYUCGN-UHFFFAOYSA-N 0 0 234.711 3.716 10 0 BHAERN CC[C@](C)(O)Cc1ccc(Cl)c(Cl)c1 ZINC000006002432 351370041 /nfs/dbraw/zinc/37/00/41/351370041.db2.gz FXZLWBOXRBJCKQ-NSHDSACASA-N 0 0 233.138 3.697 10 0 BHAERN CC[C@](C)(O)Cc1ccc(Cl)cc1Cl ZINC000006002435 351369842 /nfs/dbraw/zinc/36/98/42/351369842.db2.gz HDUZWRGYDLZOJU-NSHDSACASA-N 0 0 233.138 3.697 10 0 BHAERN COc1cccc(Sc2ccccc2)c1 ZINC000006019065 175285966 /nfs/dbraw/zinc/28/59/66/175285966.db2.gz WILHOCDBZCXLPC-UHFFFAOYSA-N 0 0 216.305 3.846 10 0 BHAERN COc1ccccc1[C@@H](C)c1ccccc1 ZINC000006030430 175345911 /nfs/dbraw/zinc/34/59/11/175345911.db2.gz PNIZXQAEXRQZJU-LBPRGKRZSA-N 0 0 212.292 3.847 10 0 BHAERN C[C@@H](CO)c1ccc2c(c1)C(C)(C)[C@H](C)C2(C)C ZINC000006030530 175761855 /nfs/dbraw/zinc/76/18/55/175761855.db2.gz FADUOCSCUWPALK-NWDGAFQWSA-N 0 0 246.394 3.987 10 0 BHAERN C[C@H](CO)c1ccc2c(c1)C(C)(C)[C@H](C)C2(C)C ZINC000006030531 176714333 /nfs/dbraw/zinc/71/43/33/176714333.db2.gz FADUOCSCUWPALK-VXGBXAGGSA-N 0 0 246.394 3.987 10 0 BHAERN C[C@@H]1CCC=C2CC[C@@H](C(C)(C)O)C[C@@]21C ZINC000006030793 176062480 /nfs/dbraw/zinc/06/24/80/176062480.db2.gz MQWIFDHBNGIVPO-UXIGCNINSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN C[C@@H]1CCC=C2CC[C@@H](C(C)(C)O)C[C@]21C ZINC000006030794 176062488 /nfs/dbraw/zinc/06/24/88/176062488.db2.gz MQWIFDHBNGIVPO-KYOSRNDESA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN C[C@@H]1CCCC2=CC[C@@H](C(C)(C)O)C[C@]21C ZINC000006030837 560204575 /nfs/dbraw/zinc/20/45/75/560204575.db2.gz KEBVXBNFLKYWDP-KYOSRNDESA-N 0 0 222.372 3.920 10 0 biogenic,in-vitro BHAERN COc1ccccc1[C@H](C)c1ccccc1 ZINC000006037196 175353148 /nfs/dbraw/zinc/35/31/48/175353148.db2.gz PNIZXQAEXRQZJU-GFCCVEGCSA-N 0 0 212.292 3.847 10 0 BHAERN C[C@@H](CO)c1ccc2c(c1)C(C)(C)[C@@H](C)C2(C)C ZINC000006037275 177060283 /nfs/dbraw/zinc/06/02/83/177060283.db2.gz FADUOCSCUWPALK-RYUDHWBXSA-N 0 0 246.394 3.987 10 0 BHAERN C[C@H](CO)c1ccc2c(c1)C(C)(C)[C@@H](C)C2(C)C ZINC000006037276 342772863 /nfs/dbraw/zinc/77/28/63/342772863.db2.gz FADUOCSCUWPALK-NEPJUHHUSA-N 0 0 246.394 3.987 10 0 BHAERN CC1=C2CC[C@H](C)[C@@H]2C[C@@H](C(C)(C)O)CC1 ZINC000006037458 168090742 /nfs/dbraw/zinc/09/07/42/168090742.db2.gz LGOFSGDSFQNIAT-OBJOEFQTSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN CC1=C2CC[C@H](C)[C@@H]2C[C@H](C(C)(C)O)CC1 ZINC000006037459 168091459 /nfs/dbraw/zinc/09/14/59/168091459.db2.gz LGOFSGDSFQNIAT-SCRDCRAPSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN CC(C)=C1C[C@H]2[C@H](C1)C(C)=C[C@H](OC=O)C[C@@H]2C ZINC000006066596 168131672 /nfs/dbraw/zinc/13/16/72/168131672.db2.gz DMDRCZJUQQXMNF-ARLBYUKCSA-N 0 0 248.366 3.877 10 0 BHAERN COc1c(C)c(C)c2[nH]c3ccccc3c2c1O ZINC000006068754 560204999 /nfs/dbraw/zinc/20/49/99/560204999.db2.gz OBMFXFPFPDTBHG-UHFFFAOYSA-N 0 0 241.290 3.652 10 0 in-vitro BHAERN Cc1cc(C(=O)c2ccc(F)cc2)ccc1F ZINC000006070089 177826606 /nfs/dbraw/zinc/82/66/06/177826606.db2.gz OLLWPGBBYZXGIB-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN Cc1cc(Cl)n(C)c2nc3ccccc3c1-2 ZINC000006070173 178071954 /nfs/dbraw/zinc/07/19/54/178071954.db2.gz ICWNRDMFSWIEDB-UHFFFAOYSA-N 0 0 230.698 3.640 10 0 BHAERN COc1ccc2[nH]c3cc(OC)c(C)cc3c2c1 ZINC000006070469 175202136 /nfs/dbraw/zinc/20/21/36/175202136.db2.gz MKQKWPIESXSKSS-UHFFFAOYSA-N 0 0 241.290 3.647 10 0 BHAERN Cc1ccc(-c2n[nH]c(-c3ccccc3)n2)c(C)c1 ZINC000006070608 178332046 /nfs/dbraw/zinc/33/20/46/178332046.db2.gz LXVXIEDVPDPIGJ-UHFFFAOYSA-N 0 0 249.317 3.756 10 0 BHAERN Cc1ccc(C)c(-c2nnc(-c3ccccc3)[nH]2)c1 ZINC000006070714 398280972 /nfs/dbraw/zinc/28/09/72/398280972.db2.gz ARXYGSGAEPXPFF-UHFFFAOYSA-N 0 0 249.317 3.756 10 0 BHAERN CC(C)=CCC[C@](C)(O)c1ccc(C)cc1 ZINC000006071119 188039736 /nfs/dbraw/zinc/03/97/36/188039736.db2.gz WQIRCLDVWQIBLO-HNNXBMFYSA-N 0 0 218.340 3.949 10 0 BHAERN Cc1cccc(-c2nnc(-c3ccccc3C)[nH]2)c1 ZINC000006071627 359663768 /nfs/dbraw/zinc/66/37/68/359663768.db2.gz IYAFRQXASXFWNX-UHFFFAOYSA-N 0 0 249.317 3.756 10 0 BHAERN Cc1ccccc1-c1ccc(NO)c(C)c1 ZINC000006071968 369031884 /nfs/dbraw/zinc/03/18/84/369031884.db2.gz UTWFEHCOAXSLRA-UHFFFAOYSA-N 0 0 213.280 3.772 10 0 BHAERN O[C@H](c1ccco1)c1c(Cl)cccc1Cl ZINC000006091688 183230225 /nfs/dbraw/zinc/23/02/25/183230225.db2.gz FZGMVOSHWNKUKJ-LLVKDONJSA-N 0 0 243.089 3.668 10 0 BHAERN O[C@@H](c1ccco1)c1c(Cl)cccc1Cl ZINC000006091691 183187143 /nfs/dbraw/zinc/18/71/43/183187143.db2.gz FZGMVOSHWNKUKJ-NSHDSACASA-N 0 0 243.089 3.668 10 0 BHAERN OCc1cccc2c1-c1cccc3cccc-2c13 ZINC000006094928 188278108 /nfs/dbraw/zinc/27/81/08/188278108.db2.gz CECVCSWUFYELCP-UHFFFAOYSA-N 0 0 232.282 3.980 10 0 BHAERN ONc1ccc(/C=C/c2ccccc2)cc1 ZINC000006095630 183172767 /nfs/dbraw/zinc/17/27/67/183172767.db2.gz NERSJRGIHYMPEP-VOTSOKGWSA-N 0 0 211.264 3.658 10 0 BHAERN O=C(c1ccccc1)c1ccc(F)cc1Cl ZINC000006095873 363032921 /nfs/dbraw/zinc/03/29/21/363032921.db2.gz DIUCEDHZWIRJDI-UHFFFAOYSA-N 0 0 234.657 3.710 10 0 BHAERN O=c1cc(/C=C\c2ccccc2)oc2ccccc12 ZINC000006103743 182991650 /nfs/dbraw/zinc/99/16/50/182991650.db2.gz LSTAHPMLLDYWKN-KHPPLWFESA-N 0 0 248.281 3.963 10 0 BHAERN CC[C@@H](C)NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000006115929 342773749 /nfs/dbraw/zinc/77/37/49/342773749.db2.gz CENJGCHVVYWLEU-RUNBWSAHSA-N 0 0 245.366 3.738 10 0 BHAERN c1ccc([C@H]2Cc3ccccc3CO2)cc1 ZINC000006116486 183433985 /nfs/dbraw/zinc/43/39/85/183433985.db2.gz JNZIOMKVVDAIMB-OAHLLOKOSA-N 0 0 210.276 3.501 10 0 BHAERN c1ccc(-c2nc3c4ccccc4ccn3n2)cc1 ZINC000006116817 183383337 /nfs/dbraw/zinc/38/33/37/183383337.db2.gz HXAVJPUGRHYHRD-UHFFFAOYSA-N 0 0 245.285 3.550 10 0 BHAERN OCc1ccc2cccc3c2c1-c1ccccc1-3 ZINC000006116865 357406550 /nfs/dbraw/zinc/40/65/50/357406550.db2.gz LYNLFKVZHLIKRI-UHFFFAOYSA-N 0 0 232.282 3.980 10 0 BHAERN CC[C@H](C)NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000006120808 171321400 /nfs/dbraw/zinc/32/14/00/171321400.db2.gz CENJGCHVVYWLEU-YKWSONSWSA-N 0 0 245.366 3.738 10 0 BHAERN CC(=O)c1ccc(-c2cccc(F)c2)s1 ZINC000006159118 166451425 /nfs/dbraw/zinc/45/14/25/166451425.db2.gz XBGDMCHHTGOOFL-UHFFFAOYSA-N 0 0 220.268 3.757 10 0 BHAERN COc1cccc(-c2ccc(C(C)=O)s2)c1 ZINC000006159119 175234157 /nfs/dbraw/zinc/23/41/57/175234157.db2.gz PGGOCTPKGHBAED-UHFFFAOYSA-N 0 0 232.304 3.626 10 0 BHAERN COc1ccccc1-c1ccc(C(C)=O)s1 ZINC000006159121 175309092 /nfs/dbraw/zinc/30/90/92/175309092.db2.gz QXIHXMDXASHNSE-UHFFFAOYSA-N 0 0 232.304 3.626 10 0 BHAERN c1ccc(CCCc2nc3ccccc3[nH]2)cc1 ZINC000006161304 183392428 /nfs/dbraw/zinc/39/24/28/183392428.db2.gz UNFZYVZRIDSAOD-UHFFFAOYSA-N 0 0 236.318 3.738 10 0 BHAERN Cc1cc(=S)[nH]c2ccc(Cl)cc12 ZINC000006188561 346512015 /nfs/dbraw/zinc/51/20/15/346512015.db2.gz ZSFVHFXLXLUSQF-UHFFFAOYSA-N 0 0 209.701 3.859 10 0 BHAERN O=Cc1ccc(-c2cc3ccccc3s2)o1 ZINC000006252828 592568942 /nfs/dbraw/zinc/56/89/42/592568942.db2.gz IPBRDLJFHQZKFQ-UHFFFAOYSA-N 0 0 228.272 3.974 10 0 BHAERN C(=C/c1ccc2ccccc2n1)\c1ccccn1 ZINC000006270035 166226651 /nfs/dbraw/zinc/22/66/51/166226651.db2.gz NDBWSSQRPIYASP-ZHACJKMWSA-N 0 0 232.286 3.800 10 0 BHAERN CCCCN(CC)C(=O)/C(C)=C\c1ccccc1 ZINC000006310329 357354976 /nfs/dbraw/zinc/35/49/76/357354976.db2.gz KIRNUQNUQFPGSJ-YPKPFQOOSA-N 0 0 245.366 3.739 10 0 BHAERN CC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000006313109 342776465 /nfs/dbraw/zinc/77/64/65/342776465.db2.gz BUQNXVFDNVSQBI-UHFFFAOYSA-N 0 0 224.303 3.582 10 0 BHAERN Clc1cnc(Nc2cccnc2)c(Cl)c1 ZINC000006345619 180598293 /nfs/dbraw/zinc/59/82/93/180598293.db2.gz KFZMNWJNUWARNO-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN CCOC(c1ccccc1)c1ccccc1 ZINC000006403854 369046833 /nfs/dbraw/zinc/04/68/33/369046833.db2.gz LYWASOZKZYKPQR-UHFFFAOYSA-N 0 0 212.292 3.813 10 0 BHAERN COc1ccc(/C=C/c2ccccc2)cc1O ZINC000006484593 342691495 /nfs/dbraw/zinc/69/14/95/342691495.db2.gz QVPJESIABXRENB-BQYQJAHWSA-N 0 0 226.275 3.571 10 0 BHAERN Cc1ccc2nc(-c3ccccc3F)oc2c1 ZINC000006523010 188159837 /nfs/dbraw/zinc/15/98/37/188159837.db2.gz BGUXXZXQWKJTAG-UHFFFAOYSA-N 0 0 227.238 3.942 10 0 BHAERN Nc1cc(-c2cccs2)nc2ccccc12 ZINC000006583773 342779877 /nfs/dbraw/zinc/77/98/77/342779877.db2.gz UUSGLQSMBGQHMR-UHFFFAOYSA-N 0 0 226.304 3.546 10 0 BHAERN CCCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000006655476 342780235 /nfs/dbraw/zinc/78/02/35/342780235.db2.gz BPENQSFBAIOBDA-UWJCENJNSA-N 0 0 249.398 3.508 10 0 BHAERN Cc1cccc2oc(-c3ccc(N)c(C)c3)nc21 ZINC000006688201 177693807 /nfs/dbraw/zinc/69/38/07/177693807.db2.gz VVJMDTUYTDHUDV-UHFFFAOYSA-N 0 0 238.290 3.694 10 0 BHAERN Clc1cccc(Cn2ncc3ccccc32)c1 ZINC000006743465 360709905 /nfs/dbraw/zinc/70/99/05/360709905.db2.gz GHSHWJWUCHILRT-UHFFFAOYSA-N 0 0 242.709 3.738 10 0 BHAERN Cc1ccc(-c2nc3ccc(N)cc3s2)cc1 ZINC000006755280 178336610 /nfs/dbraw/zinc/33/66/10/178336610.db2.gz CCEODIQWRVPKAD-UHFFFAOYSA-N 0 0 240.331 3.854 10 0 BHAERN O=Cc1cccc(-c2ccc3ncccc3c2)c1 ZINC000006756497 592727266 /nfs/dbraw/zinc/72/72/66/592727266.db2.gz XEAPJBKRXWGPMQ-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1ccc(-c2ccc3ncccc3c2)cc1 ZINC000006756746 588455183 /nfs/dbraw/zinc/45/51/83/588455183.db2.gz AELUIIHSYTVENQ-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1ccccc1-c1ccc2ncccc2c1 ZINC000006756778 592727265 /nfs/dbraw/zinc/72/72/65/592727265.db2.gz BEUFSDKZHOEMLU-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1cccc(-c2cnc3ccccc3c2)c1 ZINC000006757489 592727264 /nfs/dbraw/zinc/72/72/64/592727264.db2.gz KHYKNQBXEHSARJ-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1ccccc1-c1cnc2ccccc2c1 ZINC000006757495 592727268 /nfs/dbraw/zinc/72/72/68/592727268.db2.gz PACQFARSRXKBNW-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1ccc(-c2cncc3ccccc32)cc1 ZINC000006757537 588456274 /nfs/dbraw/zinc/45/62/74/588456274.db2.gz LVZXTSCKFQWQSI-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1cccc(-c2cncc3ccccc32)c1 ZINC000006757544 592727269 /nfs/dbraw/zinc/72/72/69/592727269.db2.gz NZYXFDGWNKTOBW-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1ccccc1-c1cncc2ccccc21 ZINC000006757546 592727256 /nfs/dbraw/zinc/72/72/56/592727256.db2.gz KBAPXRMNPPICPR-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN CCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000006773717 170175164 /nfs/dbraw/zinc/17/51/64/170175164.db2.gz LRGPHBUEODYNAW-UHFFFAOYSA-N 0 0 249.317 3.729 10 0 BHAERN Cc1ccc2oc(-c3cc(C)ccc3O)nc2c1 ZINC000006777285 360773026 /nfs/dbraw/zinc/77/30/26/360773026.db2.gz VYUMXLGHZKVBTC-UHFFFAOYSA-N 0 0 239.274 3.817 10 0 BHAERN Cc1ccc(C(=O)c2cn(C)c3ccccc23)cc1 ZINC000006788157 188102813 /nfs/dbraw/zinc/10/28/13/188102813.db2.gz MMCNUNMTVMSWGT-UHFFFAOYSA-N 0 0 249.313 3.718 10 0 BHAERN COc1cccc(-c2ccc3[nH]ccc3c2)c1 ZINC000006794133 175234169 /nfs/dbraw/zinc/23/41/69/175234169.db2.gz HZETVXODQTVKSX-UHFFFAOYSA-N 0 0 223.275 3.844 10 0 BHAERN Cc1cccc(-c2ccc3[nH]cc(C=O)c3c2)c1 ZINC000006815972 360913959 /nfs/dbraw/zinc/91/39/59/360913959.db2.gz MVANRYWUHCINSU-UHFFFAOYSA-N 0 0 235.286 3.956 10 0 BHAERN c1ccc(-c2cccc(-c3ccccn3)n2)cc1 ZINC000006816505 183380063 /nfs/dbraw/zinc/38/00/63/183380063.db2.gz POIHGNUQPJHDTP-UHFFFAOYSA-N 0 0 232.286 3.811 10 0 BHAERN CC(C)c1n[nH]c(=S)n1C1CCCCC1 ZINC000006837962 541441306 /nfs/dbraw/zinc/44/13/06/541441306.db2.gz UONNFSSMGQDWEU-UHFFFAOYSA-N 0 0 225.361 3.569 10 0 BHAERN CC(C)CNc1ccccc1C(F)(F)F ZINC000006858911 167018202 /nfs/dbraw/zinc/01/82/02/167018202.db2.gz ZXWMYCKSSHUMKV-UHFFFAOYSA-N 0 0 217.234 3.773 10 0 BHAERN CC(C)Oc1cc2c(cn1)[nH]c1ccccc12 ZINC000006858948 167287922 /nfs/dbraw/zinc/28/79/22/167287922.db2.gz AKHQVIZELNFWSQ-UHFFFAOYSA-N 0 0 226.279 3.503 10 0 BHAERN O=Cc1cccc(-c2ccc3[nH]ccc3c2)c1 ZINC000006863130 592727773 /nfs/dbraw/zinc/72/77/73/592727773.db2.gz QKEKUZYEHOVYSN-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN O=Cc1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000006863228 384169075 /nfs/dbraw/zinc/16/90/75/384169075.db2.gz FXVOOELONYJOEU-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN O=Cc1ccc(-c2ccc3[nH]ccc3c2)s1 ZINC000006863627 384168957 /nfs/dbraw/zinc/16/89/57/384168957.db2.gz RMNLYIAZLOQTSE-UHFFFAOYSA-N 0 0 227.288 3.709 10 0 BHAERN O=Cc1ccc(-c2cccc3cccnc32)cc1 ZINC000006863641 182865364 /nfs/dbraw/zinc/86/53/64/182865364.db2.gz FNDHXVSLQZNIHR-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1cccc(-c2cccc3cccnc32)c1 ZINC000006863646 592727766 /nfs/dbraw/zinc/72/77/66/592727766.db2.gz HLROKOMLNXYMBC-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1ccccc1-c1ccc2[nH]ccc2c1 ZINC000006863744 384169268 /nfs/dbraw/zinc/16/92/68/384169268.db2.gz YKAVCMRZVYYMIR-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN O=Cc1c[nH]c2ccc(-c3ccccc3)cc12 ZINC000006864597 388528625 /nfs/dbraw/zinc/52/86/25/388528625.db2.gz PCRRCKNLNAJPHQ-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN CCCCOc1cc2c(cn1)[nH]c1ccccc12 ZINC000006869004 342770312 /nfs/dbraw/zinc/77/03/12/342770312.db2.gz UARMCWOWRLFTFP-UHFFFAOYSA-N 0 0 240.306 3.895 10 0 in-vivo BHAERN CCCOc1cc2c(cn1)[nH]c1ccccc12 ZINC000006869122 169315623 /nfs/dbraw/zinc/31/56/23/169315623.db2.gz LPAODQAWVMEXKR-UHFFFAOYSA-N 0 0 226.279 3.505 10 0 in-vivo BHAERN O[C@@H]1c2ccccc2C=Cc2ccc(Cl)cc21 ZINC000006928063 342779624 /nfs/dbraw/zinc/77/96/24/342779624.db2.gz JEXANVWHPNTNJF-OAHLLOKOSA-N 0 0 242.705 3.906 10 0 BHAERN O[C@H]1c2ccccc2C=Cc2ccc(Cl)cc21 ZINC000006928099 342779637 /nfs/dbraw/zinc/77/96/37/342779637.db2.gz JEXANVWHPNTNJF-HNNXBMFYSA-N 0 0 242.705 3.906 10 0 BHAERN O=C1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000006928227 342779641 /nfs/dbraw/zinc/77/96/41/342779641.db2.gz MFJXRFHFNGOBKY-UHFFFAOYSA-N 0 0 244.677 3.871 10 0 BHAERN O=C1c2ccccc2CCc2cc(Cl)ccc21 ZINC000006929023 342779664 /nfs/dbraw/zinc/77/96/64/342779664.db2.gz NOXZOHAVIZPPCW-UHFFFAOYSA-N 0 0 242.705 3.670 10 0 BHAERN CCCC(=O)c1cc2c(cn1)[nH]c1ccccc12 ZINC000007260873 168571745 /nfs/dbraw/zinc/57/17/45/168571745.db2.gz QIZPCEVRKTWHIE-UHFFFAOYSA-N 0 0 238.290 3.699 10 0 BHAERN CCCCSC(=S)C(F)(F)C(F)F ZINC000007262005 342790610 /nfs/dbraw/zinc/79/06/10/342790610.db2.gz GJCNWSVBIYHCHO-UHFFFAOYSA-N 0 0 234.283 3.748 10 0 BHAERN C(=C/c1ccnc2ccccc12)\c1cccnc1 ZINC000007366931 187412928 /nfs/dbraw/zinc/41/29/28/187412928.db2.gz YWFGPIWOFHMULO-BQYQJAHWSA-N 0 0 232.286 3.800 10 0 BHAERN c1cn(CCOc2ccccc2)c2ccccc12 ZINC000007463257 183421458 /nfs/dbraw/zinc/42/14/58/183421458.db2.gz OLQLMELXAQOIGO-UHFFFAOYSA-N 0 0 237.302 3.720 10 0 BHAERN Cc1ccccc1/C=C/C(=O)Nc1ccccc1 ZINC000007609434 342792208 /nfs/dbraw/zinc/79/22/08/342792208.db2.gz CVBHAHLMYKDBRD-VAWYXSNFSA-N 0 0 237.302 3.647 10 0 BHAERN Cc1cc(C)c(NC(=O)OC(C)(C)C)c(C)c1 ZINC000007610491 188103972 /nfs/dbraw/zinc/10/39/72/188103972.db2.gz PEGKAUOAYVQXMP-UHFFFAOYSA-N 0 0 235.327 3.959 10 0 BHAERN Cc1ccc(NC(=O)OC(C)(C)C)cc1Cl ZINC000007610503 342792307 /nfs/dbraw/zinc/79/23/07/342792307.db2.gz VPYCRWKAAFUDHE-UHFFFAOYSA-N 0 0 241.718 3.995 10 0 BHAERN CC(=NNc1ccc(F)cc1)c1cccs1 ZINC000007949110 342799550 /nfs/dbraw/zinc/79/95/50/342799550.db2.gz QOKGXKKRBAAGOY-NTEUORMPSA-N 0 0 234.299 3.723 10 0 BHAERN CC(=O)Oc1ccc(-c2cccc(C)c2)cc1 ZINC000008039544 187413423 /nfs/dbraw/zinc/41/34/23/187413423.db2.gz UBOGBRHSOSTOAK-UHFFFAOYSA-N 0 0 226.275 3.587 10 0 BHAERN CC(C)[C@@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000008114831 344120289 /nfs/dbraw/zinc/12/02/89/344120289.db2.gz ZIYZRDUSUOLYBN-GFCCVEGCSA-N 0 0 241.334 3.614 10 0 BHAERN CC(C)[C@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000008114835 349906161 /nfs/dbraw/zinc/90/61/61/349906161.db2.gz ZIYZRDUSUOLYBN-LBPRGKRZSA-N 0 0 241.334 3.614 10 0 BHAERN COc1cccc(-c2nc3ccc(C)cc3o2)c1 ZINC000008190442 175236248 /nfs/dbraw/zinc/23/62/48/175236248.db2.gz LWHYXEDVRQNHTN-UHFFFAOYSA-N 0 0 239.274 3.812 10 0 BHAERN CCNc1nc(-c2c(F)cccc2F)cs1 ZINC000008295181 170175241 /nfs/dbraw/zinc/17/52/41/170175241.db2.gz ROSOUPIKGZKDLO-UHFFFAOYSA-N 0 0 240.278 3.520 10 0 BHAERN O=Cc1ccc(-c2ccc(Cl)c(F)c2)o1 ZINC000008377695 372595676 /nfs/dbraw/zinc/59/56/76/372595676.db2.gz VGANEYYOHCSHSX-UHFFFAOYSA-N 0 0 224.618 3.552 10 0 BHAERN C/C(Cl)=C\Cc1c(C)[nH]c2ccccc2c1=O ZINC000008574693 187296754 /nfs/dbraw/zinc/29/67/54/187296754.db2.gz HOFQUAXNPCMCQM-VQHVLOKHSA-N 0 0 247.725 3.522 10 0 BHAERN Cc1ccc(-c2cc(=O)c3ccccc3[nH]2)cc1 ZINC000008680054 178318190 /nfs/dbraw/zinc/31/81/90/178318190.db2.gz NVCGFYHQUFDVMO-UHFFFAOYSA-N 0 0 235.286 3.504 10 0 BHAERN Clc1ccc(CNc2ncco2)cc1Cl ZINC000008699332 342802586 /nfs/dbraw/zinc/80/25/86/342802586.db2.gz FTELBZOXMDSBOD-UHFFFAOYSA-N 0 0 243.093 3.594 10 0 BHAERN Clc1ccc(CNc2ncco2)c(Cl)c1 ZINC000008699333 342802642 /nfs/dbraw/zinc/80/26/42/342802642.db2.gz YJYASDFNLRQBCZ-UHFFFAOYSA-N 0 0 243.093 3.594 10 0 BHAERN CC(C)=C1CC[C@H](C)[C@H]1NC(=O)OC(C)(C)C ZINC000008699957 188104427 /nfs/dbraw/zinc/10/44/27/188104427.db2.gz BYRALDPKBKWCGP-CMPLNLGQSA-N 0 0 239.359 3.646 10 0 BHAERN CC(C)c1ccc(NC2=NCCCS2)cc1 ZINC000008702130 344747744 /nfs/dbraw/zinc/74/77/44/344747744.db2.gz SULCJNLLADBBBK-UHFFFAOYSA-N 0 0 234.368 3.715 10 0 BHAERN CCOC(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000008737724 256576877 /nfs/dbraw/zinc/57/68/77/256576877.db2.gz SYCXJIPGDBATKA-QJPTWQEYSA-N 0 0 228.332 3.620 10 0 BHAERN C(=C/c1ccc2ccccc2n1)\c1ccncc1 ZINC000008745054 166226914 /nfs/dbraw/zinc/22/69/14/166226914.db2.gz AJXFQEBRXDBEAV-FNORWQNLSA-N 0 0 232.286 3.800 10 0 BHAERN Cc1cccc2c(-c3ccccc3)cc(=O)[nH]c12 ZINC000008829020 179208569 /nfs/dbraw/zinc/20/85/69/179208569.db2.gz SVACTKZQDNRSIM-UHFFFAOYSA-N 0 0 235.286 3.504 10 0 BHAERN CCc1ccc(C(=O)C2CCCC2)cc1 ZINC000009237724 388424963 /nfs/dbraw/zinc/42/49/63/388424963.db2.gz RIJDZZVGFDUHNP-UHFFFAOYSA-N 0 0 202.297 3.622 10 0 BHAERN CCOc1ccc(C(=O)C2CCCCC2)cc1 ZINC000009237763 373642869 /nfs/dbraw/zinc/64/28/69/373642869.db2.gz DQIGYKHNNYKEME-UHFFFAOYSA-N 0 0 232.323 3.848 10 0 BHAERN Nc1ccccc1OCc1ccc(Cl)cc1 ZINC000009239509 181757047 /nfs/dbraw/zinc/75/70/47/181757047.db2.gz LNVYLSLLLCCZMM-UHFFFAOYSA-N 0 0 233.698 3.501 10 0 BHAERN Cc1cc(C=O)c(C)n1Cc1cccc(Cl)c1 ZINC000009246034 177951396 /nfs/dbraw/zinc/95/13/96/177951396.db2.gz FPFZPVYLIVLVJX-UHFFFAOYSA-N 0 0 247.725 3.619 10 0 BHAERN Cc1cc(C=O)c(C)n1Cc1ccc(Cl)cc1 ZINC000009246035 177951867 /nfs/dbraw/zinc/95/18/67/177951867.db2.gz LKPHRVZOBDQPAK-UHFFFAOYSA-N 0 0 247.725 3.619 10 0 BHAERN CC(=O)c1cc(C)n(Cc2ccc(C)cc2)c1C ZINC000009246050 166443068 /nfs/dbraw/zinc/44/30/68/166443068.db2.gz CMQNXHJXCKGGTK-UHFFFAOYSA-N 0 0 241.334 3.664 10 0 BHAERN O=C1CCc2c1cccc2Oc1ccccc1 ZINC000009691704 342911028 /nfs/dbraw/zinc/91/10/28/342911028.db2.gz XUAFOJPRPWYVAM-UHFFFAOYSA-N 0 0 224.259 3.608 10 0 BHAERN Cc1ccc(-c2nc3ncccc3o2)cc1C ZINC000009694255 178338551 /nfs/dbraw/zinc/33/85/51/178338551.db2.gz HWFGKIDBPXBUPR-UHFFFAOYSA-N 0 0 224.263 3.507 10 0 BHAERN CC(C)COC(=O)Nc1cccc(Cl)c1 ZINC000010151641 187302832 /nfs/dbraw/zinc/30/28/32/187302832.db2.gz NKMKOFKGHVPMLE-UHFFFAOYSA-N 0 0 227.691 3.545 10 0 BHAERN CC1(C)C[C@H](O)c2cc(Cl)cc(Cl)c2O1 ZINC000011568118 188163306 /nfs/dbraw/zinc/16/33/06/188163306.db2.gz FTJGQWPWHNGFHU-VIFPVBQESA-N 0 0 247.121 3.588 10 0 BHAERN Cc1cc2c(c(C)c1Cl)[C@H](O)CC(C)(C)O2 ZINC000011568121 178283325 /nfs/dbraw/zinc/28/33/25/178283325.db2.gz WJHNCGYPEQUTGU-SECBINFHSA-N 0 0 240.730 3.551 10 0 BHAERN Cc1cc2c(c(C)c1Cl)[C@@H](O)CC(C)(C)O2 ZINC000011568122 178283153 /nfs/dbraw/zinc/28/31/53/178283153.db2.gz WJHNCGYPEQUTGU-VIFPVBQESA-N 0 0 240.730 3.551 10 0 BHAERN CC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000011631235 187993669 /nfs/dbraw/zinc/99/36/69/187993669.db2.gz QWNKGUFEJXENIX-UHFFFAOYSA-N 0 0 204.313 3.506 10 0 BHAERN CC(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000011631264 187250046 /nfs/dbraw/zinc/25/00/46/187250046.db2.gz HBPXDNKVDSKZGE-QMMMGPOBSA-N 0 0 241.128 3.532 10 0 BHAERN CC(=O)C[C@@H](C)c1ccc(Br)cc1 ZINC000011631265 188104894 /nfs/dbraw/zinc/10/48/94/188104894.db2.gz HBPXDNKVDSKZGE-MRVPVSSYSA-N 0 0 241.128 3.532 10 0 BHAERN CC(=O)CC(C)(C)c1cc(C)ccc1C ZINC000011631287 187760426 /nfs/dbraw/zinc/76/04/26/187760426.db2.gz RWKICXZZHNHIDB-UHFFFAOYSA-N 0 0 204.313 3.560 10 0 BHAERN Cc1ccc(C)c(C(=O)c2cccs2)c1 ZINC000011631548 386714885 /nfs/dbraw/zinc/71/48/85/386714885.db2.gz ZDBSHFZLIZWGBR-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN O=C(c1cccs1)c1ccc2c(c1)CCCC2 ZINC000011631549 182666010 /nfs/dbraw/zinc/66/60/10/182666010.db2.gz IAIVTQICJUTFJC-UHFFFAOYSA-N 0 0 242.343 3.858 10 0 BHAERN CCc1ccc(C(=O)c2cccc(C)c2)cc1 ZINC000011631560 353825075 /nfs/dbraw/zinc/82/50/75/353825075.db2.gz GAVPXVGWYVSERU-UHFFFAOYSA-N 0 0 224.303 3.788 10 0 BHAERN Cc1cccc(C(=O)c2ccc(C)c(C)c2)c1 ZINC000011631563 179026801 /nfs/dbraw/zinc/02/68/01/179026801.db2.gz WJTSIGYUTNQAFU-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN Cc1cccc(C(=O)c2cc(C)ccc2C)c1 ZINC000011631564 179027173 /nfs/dbraw/zinc/02/71/73/179027173.db2.gz TZBWBJKBQFNIOF-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN Cc1cccc(C(=O)c2ccc(F)c(C)c2)c1 ZINC000011631567 179026824 /nfs/dbraw/zinc/02/68/24/179026824.db2.gz KHUMVDXSMJCMRQ-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN COc1ccc(C)cc1C(=O)c1cccc(C)c1 ZINC000011631568 175073756 /nfs/dbraw/zinc/07/37/56/175073756.db2.gz USTBIYKWFRFJHJ-UHFFFAOYSA-N 0 0 240.302 3.543 10 0 BHAERN Cc1ccc(C(=O)c2ccc(F)c(C)c2)cc1 ZINC000011631573 344395549 /nfs/dbraw/zinc/39/55/49/344395549.db2.gz MWMLVVQELHXMKO-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN COc1ccc(C(=O)c2ccc(C)cc2)cc1C ZINC000011631574 175066164 /nfs/dbraw/zinc/06/61/64/175066164.db2.gz ADJSCMQXCLCSEH-UHFFFAOYSA-N 0 0 240.302 3.543 10 0 BHAERN COc1ccc(C)cc1C(=O)c1ccc(C)cc1 ZINC000011631575 175073884 /nfs/dbraw/zinc/07/38/84/175073884.db2.gz GXKNWUBHRTXZMI-UHFFFAOYSA-N 0 0 240.302 3.543 10 0 BHAERN CCc1ccc(C(=O)c2cccc(F)c2)cc1 ZINC000011631579 171788412 /nfs/dbraw/zinc/78/84/12/171788412.db2.gz AKRBKYVREPWLBJ-UHFFFAOYSA-N 0 0 228.266 3.619 10 0 BHAERN Cc1ccc(C(=O)c2cccc(F)c2)cc1C ZINC000011631582 188584272 /nfs/dbraw/zinc/58/42/72/188584272.db2.gz ISNVHXBXTNGNAU-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1ccc(C)c(C(=O)c2cccc(F)c2)c1 ZINC000011631583 386714856 /nfs/dbraw/zinc/71/48/56/386714856.db2.gz XKYXPXFVRQYOMU-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN CCc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000011631592 353825298 /nfs/dbraw/zinc/82/52/98/353825298.db2.gz NUDYFNBBAXEUSA-UHFFFAOYSA-N 0 0 228.266 3.619 10 0 BHAERN Cc1ccc(C(=O)c2ccc(F)cc2)cc1C ZINC000011631595 188050730 /nfs/dbraw/zinc/05/07/30/188050730.db2.gz VMBPTSXYVRZFCO-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1ccc(C)c(C(=O)c2ccc(F)cc2)c1 ZINC000011631596 386714672 /nfs/dbraw/zinc/71/46/72/386714672.db2.gz WTWDNLIIRWMNQJ-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN O=C(c1ccc2c(c1)CCCC2)C1CCCC1 ZINC000011631677 182666599 /nfs/dbraw/zinc/66/65/99/182666599.db2.gz RNXSXPAQKTXEIF-UHFFFAOYSA-N 0 0 228.335 3.938 10 0 BHAERN Cc1cc(C(=O)C2CCCC2)ccc1F ZINC000011631678 177731901 /nfs/dbraw/zinc/73/19/01/177731901.db2.gz MUCIXRDKOUORFO-UHFFFAOYSA-N 0 0 206.260 3.507 10 0 BHAERN Cc1cc(C(=O)C2CCCCC2)ccc1F ZINC000011631687 344395563 /nfs/dbraw/zinc/39/55/63/344395563.db2.gz DIFJBSYWZASMOJ-UHFFFAOYSA-N 0 0 220.287 3.897 10 0 BHAERN CC(C)c1csc(-c2cccc(N)c2)n1 ZINC000011632123 187477146 /nfs/dbraw/zinc/47/71/46/187477146.db2.gz AECGXZLPLSZVBM-UHFFFAOYSA-N 0 0 218.325 3.516 10 0 BHAERN CC(C)(C)c1csc(-c2cccc(N)c2)n1 ZINC000011632124 188104644 /nfs/dbraw/zinc/10/46/44/188104644.db2.gz COOHGQOWSFEMLO-UHFFFAOYSA-N 0 0 232.352 3.690 10 0 BHAERN C[C@@H]1CCc2nc(-c3cccc(N)c3)sc2C1 ZINC000011632128 176240270 /nfs/dbraw/zinc/24/02/70/176240270.db2.gz BSABMDXBXGVOKQ-SECBINFHSA-N 0 0 244.363 3.517 10 0 BHAERN C[C@H]1CCc2nc(-c3cccc(N)c3)sc2C1 ZINC000011632129 177210338 /nfs/dbraw/zinc/21/03/38/177210338.db2.gz BSABMDXBXGVOKQ-VIFPVBQESA-N 0 0 244.363 3.517 10 0 BHAERN CC(C)c1csc(-c2ccc(N)cc2)n1 ZINC000011632136 397834261 /nfs/dbraw/zinc/83/42/61/397834261.db2.gz HNKBRZNAJXMUGC-UHFFFAOYSA-N 0 0 218.325 3.516 10 0 BHAERN CC(C)(C)c1csc(-c2ccc(N)cc2)n1 ZINC000011632137 187931529 /nfs/dbraw/zinc/93/15/29/187931529.db2.gz PHOYILGFHJYXHF-UHFFFAOYSA-N 0 0 232.352 3.690 10 0 BHAERN C[C@@H]1CCc2nc(-c3ccc(N)cc3)sc2C1 ZINC000011632141 176240454 /nfs/dbraw/zinc/24/04/54/176240454.db2.gz AHXMRPAZYXZIPW-SECBINFHSA-N 0 0 244.363 3.517 10 0 BHAERN C[C@H]1CCc2nc(-c3ccc(N)cc3)sc2C1 ZINC000011632142 177209980 /nfs/dbraw/zinc/20/99/80/177209980.db2.gz AHXMRPAZYXZIPW-VIFPVBQESA-N 0 0 244.363 3.517 10 0 BHAERN C[C@@H]1CNc2ccc(C(C)(C)C)cc2C1 ZINC000011633211 188522043 /nfs/dbraw/zinc/52/20/43/188522043.db2.gz NDHJXSLGOZZVDF-JTQLQIEISA-N 0 0 203.329 3.588 10 0 BHAERN C[C@H]1CNc2ccc(C(C)(C)C)cc2C1 ZINC000011633212 177287627 /nfs/dbraw/zinc/28/76/27/177287627.db2.gz NDHJXSLGOZZVDF-SNVBAGLBSA-N 0 0 203.329 3.588 10 0 BHAERN CC[C@@H]1CNc2c(cccc2C(C)C)C1 ZINC000011633267 171102486 /nfs/dbraw/zinc/10/24/86/171102486.db2.gz XJWPSOISCWDEGN-NSHDSACASA-N 0 0 203.329 3.804 10 0 BHAERN CC[C@H]1CNc2c(cccc2C(C)C)C1 ZINC000011633268 171669734 /nfs/dbraw/zinc/66/97/34/171669734.db2.gz XJWPSOISCWDEGN-LLVKDONJSA-N 0 0 203.329 3.804 10 0 BHAERN CC[C@@H]1CNc2ccc(C(C)C)cc2C1 ZINC000011633269 171103422 /nfs/dbraw/zinc/10/34/22/171103422.db2.gz OUSXQIXGADRTNW-NSHDSACASA-N 0 0 203.329 3.804 10 0 BHAERN CC[C@H]1CNc2ccc(C(C)C)cc2C1 ZINC000011633270 171669324 /nfs/dbraw/zinc/66/93/24/171669324.db2.gz OUSXQIXGADRTNW-LLVKDONJSA-N 0 0 203.329 3.804 10 0 BHAERN CC[C@@H]1CNc2c(cccc2C(C)(C)C)C1 ZINC000011633271 171102942 /nfs/dbraw/zinc/10/29/42/171102942.db2.gz FTRRNBFIIXAYGI-NSHDSACASA-N 0 0 217.356 3.978 10 0 BHAERN CC[C@@H]1CNc2ccc(C(C)(C)C)cc2C1 ZINC000011633273 171102527 /nfs/dbraw/zinc/10/25/27/171102527.db2.gz GEGIAWFZKASZIX-NSHDSACASA-N 0 0 217.356 3.978 10 0 BHAERN Cc1cc(C)c2c(c1)NC[C@@H](C(C)C)C2 ZINC000011633297 177881310 /nfs/dbraw/zinc/88/13/10/177881310.db2.gz UGZKCQCJBFOKMS-LBPRGKRZSA-N 0 0 203.329 3.544 10 0 BHAERN Cc1cc(C)c2c(c1)NC[C@H](C(C)C)C2 ZINC000011633298 177881870 /nfs/dbraw/zinc/88/18/70/177881870.db2.gz UGZKCQCJBFOKMS-GFCCVEGCSA-N 0 0 203.329 3.544 10 0 BHAERN Cc1ccc(C)c2c1C[C@H](C(C)C)CN2 ZINC000011633299 178506458 /nfs/dbraw/zinc/50/64/58/178506458.db2.gz OPYAHEHSQFMDHE-LBPRGKRZSA-N 0 0 203.329 3.544 10 0 BHAERN CCC[C@@H]1CNc2c(C)cc(C)cc2C1 ZINC000011633365 169423599 /nfs/dbraw/zinc/42/35/99/169423599.db2.gz FEVKGBSAJVTKFH-LBPRGKRZSA-N 0 0 203.329 3.688 10 0 BHAERN CCC[C@H]1CNc2c(C)cc(C)cc2C1 ZINC000011633366 169530499 /nfs/dbraw/zinc/53/04/99/169530499.db2.gz FEVKGBSAJVTKFH-GFCCVEGCSA-N 0 0 203.329 3.688 10 0 BHAERN CCC[C@H]1CNc2c(CC)cccc2C1 ZINC000011633388 169530118 /nfs/dbraw/zinc/53/01/18/169530118.db2.gz VVDQLTJIQUDBPI-LLVKDONJSA-N 0 0 203.329 3.633 10 0 BHAERN CCC[C@@H]1CNc2ccc(CC)cc2C1 ZINC000011633389 169423534 /nfs/dbraw/zinc/42/35/34/169423534.db2.gz KPMTWUZEDCDNHW-LBPRGKRZSA-N 0 0 203.329 3.633 10 0 BHAERN Fc1ccc([C@@H]2CNc3ccccc3C2)cc1 ZINC000011633595 344395939 /nfs/dbraw/zinc/39/59/39/344395939.db2.gz OMZRTLRBRYMOPW-ZDUSSCGKSA-N 0 0 227.282 3.578 10 0 BHAERN Fc1ccc([C@H]2CNc3ccccc3C2)cc1 ZINC000011633596 180983593 /nfs/dbraw/zinc/98/35/93/180983593.db2.gz OMZRTLRBRYMOPW-CYBMUJFWSA-N 0 0 227.282 3.578 10 0 BHAERN Fc1ccc(C[C@@H]2CNc3ccccc3C2)cc1 ZINC000011633855 180971306 /nfs/dbraw/zinc/97/13/06/180971306.db2.gz LRLHZNYEPRIYAE-ZDUSSCGKSA-N 0 0 241.309 3.653 10 0 BHAERN Fc1ccc(C[C@H]2CNc3ccccc3C2)cc1 ZINC000011633856 180971798 /nfs/dbraw/zinc/97/17/98/180971798.db2.gz LRLHZNYEPRIYAE-CYBMUJFWSA-N 0 0 241.309 3.653 10 0 BHAERN CC(=O)c1cc2ccc(Cl)cc2nc1Cl ZINC000011727586 384531118 /nfs/dbraw/zinc/53/11/18/384531118.db2.gz IZQXEKXNESSPLV-UHFFFAOYSA-N 0 0 240.089 3.744 10 0 BHAERN CC(=O)c1cc2cc(Cl)ccc2nc1Cl ZINC000011727587 166449922 /nfs/dbraw/zinc/44/99/22/166449922.db2.gz MAMWPSYRVYQETB-UHFFFAOYSA-N 0 0 240.089 3.744 10 0 BHAERN OC[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000011734228 183105465 /nfs/dbraw/zinc/10/54/65/183105465.db2.gz RZGQMXHCJJYIGA-CQSZACIVSA-N 0 0 246.737 3.659 10 0 BHAERN OC[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000011734229 183138332 /nfs/dbraw/zinc/13/83/32/183138332.db2.gz RZGQMXHCJJYIGA-AWEZNQCLSA-N 0 0 246.737 3.659 10 0 BHAERN OC[C@@H](Cc1cccc(Cl)c1)c1ccccc1 ZINC000011734230 183105456 /nfs/dbraw/zinc/10/54/56/183105456.db2.gz IBEJNJXHXLNHEY-CQSZACIVSA-N 0 0 246.737 3.659 10 0 BHAERN OC[C@H](Cc1cccc(Cl)c1)c1ccccc1 ZINC000011734231 183138670 /nfs/dbraw/zinc/13/86/70/183138670.db2.gz IBEJNJXHXLNHEY-AWEZNQCLSA-N 0 0 246.737 3.659 10 0 BHAERN OC[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000011734232 183106346 /nfs/dbraw/zinc/10/63/46/183106346.db2.gz LHPQXUSZJRIFLJ-CQSZACIVSA-N 0 0 246.737 3.659 10 0 BHAERN OC[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000011734233 183138365 /nfs/dbraw/zinc/13/83/65/183138365.db2.gz LHPQXUSZJRIFLJ-AWEZNQCLSA-N 0 0 246.737 3.659 10 0 BHAERN Cc1ccccc1C[C@@H](CO)c1ccccc1C ZINC000011734442 179289450 /nfs/dbraw/zinc/28/94/50/179289450.db2.gz QYWZHEDCVGGIHN-INIZCTEOSA-N 0 0 240.346 3.622 10 0 BHAERN Cc1ccccc1C[C@H](CO)c1ccccc1C ZINC000011734443 179292281 /nfs/dbraw/zinc/29/22/81/179292281.db2.gz QYWZHEDCVGGIHN-MRXNPFEDSA-N 0 0 240.346 3.622 10 0 BHAERN Cc1cccc(C[C@@H](CO)c2ccccc2C)c1 ZINC000011734444 187250750 /nfs/dbraw/zinc/25/07/50/187250750.db2.gz CGKZQUHDAPFAOB-INIZCTEOSA-N 0 0 240.346 3.622 10 0 BHAERN Cc1cccc(C[C@H](CO)c2ccccc2C)c1 ZINC000011734445 179106422 /nfs/dbraw/zinc/10/64/22/179106422.db2.gz CGKZQUHDAPFAOB-MRXNPFEDSA-N 0 0 240.346 3.622 10 0 BHAERN Cc1cccc([C@@H](CO)Cc2ccccc2C)c1 ZINC000011734500 179184835 /nfs/dbraw/zinc/18/48/35/179184835.db2.gz NQFZBEMTSCTNLQ-QGZVFWFLSA-N 0 0 240.346 3.622 10 0 BHAERN Cc1cccc([C@H](CO)Cc2ccccc2C)c1 ZINC000011734501 179200276 /nfs/dbraw/zinc/20/02/76/179200276.db2.gz NQFZBEMTSCTNLQ-KRWDZBQOSA-N 0 0 240.346 3.622 10 0 BHAERN Cc1cccc(C[C@H](CO)c2cccc(C)c2)c1 ZINC000011734503 179105969 /nfs/dbraw/zinc/10/59/69/179105969.db2.gz PBNUMYSXLCUFJA-QGZVFWFLSA-N 0 0 240.346 3.622 10 0 BHAERN Cc1ccc(C[C@@H](CO)c2ccc(C)cc2)cc1 ZINC000011734562 178646926 /nfs/dbraw/zinc/64/69/26/178646926.db2.gz XMAFBANWSXEEEV-KRWDZBQOSA-N 0 0 240.346 3.622 10 0 BHAERN OC[C@@H](Cc1ccccc1)c1ccccc1Cl ZINC000011734614 183106327 /nfs/dbraw/zinc/10/63/27/183106327.db2.gz YOFBQGOEPJRBLT-CYBMUJFWSA-N 0 0 246.737 3.659 10 0 BHAERN OC[C@H](Cc1ccccc1)c1ccccc1Cl ZINC000011734615 183138833 /nfs/dbraw/zinc/13/88/33/183138833.db2.gz YOFBQGOEPJRBLT-ZDUSSCGKSA-N 0 0 246.737 3.659 10 0 BHAERN OC[C@@H](Cc1ccccc1)c1cccc(Cl)c1 ZINC000011734662 183106323 /nfs/dbraw/zinc/10/63/23/183106323.db2.gz BPDOVHFTTNWVBL-CQSZACIVSA-N 0 0 246.737 3.659 10 0 BHAERN OC[C@H](Cc1ccccc1)c1cccc(Cl)c1 ZINC000011734663 183138532 /nfs/dbraw/zinc/13/85/32/183138532.db2.gz BPDOVHFTTNWVBL-AWEZNQCLSA-N 0 0 246.737 3.659 10 0 BHAERN OC[C@@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000011734710 183106377 /nfs/dbraw/zinc/10/63/77/183106377.db2.gz HZCSVNBUWAZPHB-CQSZACIVSA-N 0 0 246.737 3.659 10 0 BHAERN OC[C@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000011734711 183138898 /nfs/dbraw/zinc/13/88/98/183138898.db2.gz HZCSVNBUWAZPHB-AWEZNQCLSA-N 0 0 246.737 3.659 10 0 BHAERN CCCCCNc1nc(Cl)nc2ccccc21 ZINC000011756368 342842935 /nfs/dbraw/zinc/84/29/35/342842935.db2.gz XGJPWNRCIDDVBH-UHFFFAOYSA-N 0 0 249.745 3.885 10 0 BHAERN CCCCN(C)c1nc(Cl)nc2ccccc21 ZINC000011756370 168785676 /nfs/dbraw/zinc/78/56/76/168785676.db2.gz MFHPEPRBCFTOGX-UHFFFAOYSA-N 0 0 249.745 3.520 10 0 BHAERN Cc1cccc2c(Cl)c3c(nc12)CCC3 ZINC000011763851 179210861 /nfs/dbraw/zinc/21/08/61/179210861.db2.gz RTZSOSVHZZTCPI-UHFFFAOYSA-N 0 0 217.699 3.685 10 0 BHAERN Fc1cccc2c(Cl)c3c(nc12)CCC3 ZINC000011763899 181004195 /nfs/dbraw/zinc/00/41/95/181004195.db2.gz XXKYBAMBSZDLHL-UHFFFAOYSA-N 0 0 221.662 3.516 10 0 BHAERN Fc1ccc2nc3c(c(Cl)c2c1)CCC3 ZINC000011763906 345001530 /nfs/dbraw/zinc/00/15/30/345001530.db2.gz HNZVCFFIIPTOMH-UHFFFAOYSA-N 0 0 221.662 3.516 10 0 BHAERN CCOc1ccccc1Oc1ccc(C=O)cc1 ZINC000011801041 170597157 /nfs/dbraw/zinc/59/71/57/170597157.db2.gz SUEQRQZZJPQAAU-UHFFFAOYSA-N 0 0 242.274 3.690 10 0 BHAERN CCCOc1ccc2nc(C)cc(Cl)c2c1 ZINC000011847648 169324100 /nfs/dbraw/zinc/32/41/00/169324100.db2.gz CBTVSNWFMZINFJ-UHFFFAOYSA-N 0 0 235.714 3.985 10 0 BHAERN Cc1ccccc1Oc1ccc(C=O)cc1 ZINC000011885756 345051905 /nfs/dbraw/zinc/05/19/05/345051905.db2.gz QMLSOVZKTZTQHY-UHFFFAOYSA-N 0 0 212.248 3.600 10 0 BHAERN Cc1cc(F)cc2sc(Br)nc21 ZINC000011920221 370792422 /nfs/dbraw/zinc/79/24/22/370792422.db2.gz CKDWCQLRGQBNNR-UHFFFAOYSA-N 0 0 246.104 3.506 10 0 BHAERN Cc1cc(O)c(C(C)(C)C)cc1Br ZINC000011949656 178194592 /nfs/dbraw/zinc/19/45/92/178194592.db2.gz CRHPCQVSSQMJRM-UHFFFAOYSA-N 0 0 243.144 3.761 10 0 BHAERN Cc1cc(Br)c(O)c(C(C)(C)C)c1 ZINC000011949663 188104855 /nfs/dbraw/zinc/10/48/55/188104855.db2.gz AKUQXFHQPACGKR-UHFFFAOYSA-N 0 0 243.144 3.761 10 0 BHAERN Cc1cccc(Oc2ccc(C=O)cc2)c1C ZINC000011959003 179175612 /nfs/dbraw/zinc/17/56/12/179175612.db2.gz YXDRJYYFXXBPOD-UHFFFAOYSA-N 0 0 226.275 3.908 10 0 BHAERN CC[C@@H]1CNc2c(C)cc(Cl)cc2C1 ZINC000011987496 171103564 /nfs/dbraw/zinc/10/35/64/171103564.db2.gz LWJJZBVIEVGRHO-VIFPVBQESA-N 0 0 209.720 3.643 10 0 BHAERN CC[C@@H]1CNc2c(C)c(Cl)ccc2C1 ZINC000011987507 171103517 /nfs/dbraw/zinc/10/35/17/171103517.db2.gz JKRJXYUKUYVMHT-VIFPVBQESA-N 0 0 209.720 3.643 10 0 BHAERN CC[C@@H]1CNc2c(C)ccc(Cl)c2C1 ZINC000011987513 171103543 /nfs/dbraw/zinc/10/35/43/171103543.db2.gz JHJHEVCIUDKZKT-VIFPVBQESA-N 0 0 209.720 3.643 10 0 BHAERN CC[C@H]1CNc2c(C)ccc(Cl)c2C1 ZINC000011987515 171669255 /nfs/dbraw/zinc/66/92/55/171669255.db2.gz JHJHEVCIUDKZKT-SECBINFHSA-N 0 0 209.720 3.643 10 0 BHAERN CC[C@@H]1CNc2cc(Cl)c(C)cc2C1 ZINC000011987518 171103339 /nfs/dbraw/zinc/10/33/39/171103339.db2.gz OCNPLDQQGNNZDH-VIFPVBQESA-N 0 0 209.720 3.643 10 0 BHAERN CC[C@@H]1CNc2cc(C)c(Cl)cc2C1 ZINC000011987527 171102637 /nfs/dbraw/zinc/10/26/37/171102637.db2.gz KEXKBYQBBGKJMP-VIFPVBQESA-N 0 0 209.720 3.643 10 0 BHAERN CC[C@H]1CNc2cc(C)c(Cl)cc2C1 ZINC000011987530 171669760 /nfs/dbraw/zinc/66/97/60/171669760.db2.gz KEXKBYQBBGKJMP-SECBINFHSA-N 0 0 209.720 3.643 10 0 BHAERN CC(C)[C@@H]1CNc2c(Cl)cccc2C1 ZINC000011987579 187250435 /nfs/dbraw/zinc/25/04/35/187250435.db2.gz PSKVOGSQLBDIDV-JTQLQIEISA-N 0 0 209.720 3.580 10 0 BHAERN CCC[C@H]1CNc2c(Cl)cccc2C1 ZINC000011987725 169529979 /nfs/dbraw/zinc/52/99/79/169529979.db2.gz GHHYKVHFXKLIJS-SECBINFHSA-N 0 0 209.720 3.724 10 0 BHAERN CCC[C@@H]1CNc2cc(Cl)ccc2C1 ZINC000011987727 169423829 /nfs/dbraw/zinc/42/38/29/169423829.db2.gz KOJRHIILCUOZDO-VIFPVBQESA-N 0 0 209.720 3.724 10 0 BHAERN CCC[C@@H]1CNc2ccc(Cl)cc2C1 ZINC000011987730 169423385 /nfs/dbraw/zinc/42/33/85/169423385.db2.gz XCSXPNAXDQGTEQ-VIFPVBQESA-N 0 0 209.720 3.724 10 0 BHAERN CCC[C@H]1CNc2ccc(Cl)cc2C1 ZINC000011987731 169530576 /nfs/dbraw/zinc/53/05/76/169530576.db2.gz XCSXPNAXDQGTEQ-SECBINFHSA-N 0 0 209.720 3.724 10 0 BHAERN Cc1csc2nc(-c3ccc(C)cc3)cn12 ZINC000011991131 178328294 /nfs/dbraw/zinc/32/82/94/178328294.db2.gz OQUDXBFCNAKHPH-UHFFFAOYSA-N 0 0 228.320 3.680 10 0 BHAERN CC(C)c1cccc2cc(C(C)C)c(=NN)[nH]c21 ZINC000011995144 167579758 /nfs/dbraw/zinc/57/97/58/167579758.db2.gz LYSUOWQBCNIALX-UHFFFAOYSA-N 0 0 243.354 3.767 10 0 BHAERN Cc1cc(Cl)cc2cc(C(C)C)c(=NN)[nH]c12 ZINC000011995145 178065418 /nfs/dbraw/zinc/06/54/18/178065418.db2.gz NXFABMQAHKTPRY-UHFFFAOYSA-N 0 0 249.745 3.606 10 0 BHAERN Cc1cc2cc(C(C)C)c(=NN)[nH]c2cc1Cl ZINC000011995148 178294804 /nfs/dbraw/zinc/29/48/04/178294804.db2.gz JQNVDGAWRIGNTE-UHFFFAOYSA-N 0 0 249.745 3.606 10 0 BHAERN CCCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000012027756 169247120 /nfs/dbraw/zinc/24/71/20/169247120.db2.gz ZYAUKUIREXPISO-CYBMUJFWSA-N 0 0 247.382 3.515 10 0 BHAERN O=C(c1ccccc1)c1cccc(-n2cccc2)c1 ZINC000012139455 342726961 /nfs/dbraw/zinc/72/69/61/342726961.db2.gz YRUQZVRPLKJYFW-UHFFFAOYSA-N 0 0 247.297 3.708 10 0 BHAERN C[C@H](O)c1ccc(C2CCCCC2)cc1 ZINC000012506335 384323278 /nfs/dbraw/zinc/32/32/78/384323278.db2.gz CYEIZTMWVNXOQH-NSHDSACASA-N 0 0 204.313 3.788 10 0 BHAERN C[C@@H](O)c1ccc(C2CCCCC2)cc1 ZINC000012506336 384323387 /nfs/dbraw/zinc/32/33/87/384323387.db2.gz CYEIZTMWVNXOQH-LLVKDONJSA-N 0 0 204.313 3.788 10 0 BHAERN C[C@H](O)c1ccc(Cl)c(Cl)c1Cl ZINC000012506346 322819735 /nfs/dbraw/zinc/81/97/35/322819735.db2.gz YNNJNUFAFGNMQI-BYPYZUCNSA-N 0 0 225.502 3.700 10 0 BHAERN C[C@@H](O)c1ccc(Cl)c(Cl)c1Cl ZINC000012506347 342853013 /nfs/dbraw/zinc/85/30/13/342853013.db2.gz YNNJNUFAFGNMQI-SCSAIBSYSA-N 0 0 225.502 3.700 10 0 BHAERN CCCCCCc1ccc([C@@H](C)O)cc1 ZINC000012506536 168681416 /nfs/dbraw/zinc/68/14/16/168681416.db2.gz QOWWXERCAKCLCM-GFCCVEGCSA-N 0 0 206.329 3.863 10 0 BHAERN CCCCCc1ccc2nc(N)sc2c1 ZINC000012580511 588984718 /nfs/dbraw/zinc/98/47/18/588984718.db2.gz RYTCKXZGRBUTSK-UHFFFAOYSA-N 0 0 220.341 3.611 10 0 BHAERN Cc1cc(NCC(C)C)nc(-c2ccccc2)n1 ZINC000012651930 178156420 /nfs/dbraw/zinc/15/64/20/178156420.db2.gz WNBRQEZTXRJAJI-UHFFFAOYSA-N 0 0 241.338 3.520 10 0 BHAERN C[C@H]1CCC[C@]2(CC(=O)c3cc(F)ccc3O2)C1 ZINC000012726501 177144661 /nfs/dbraw/zinc/14/46/61/177144661.db2.gz DSIGVBJTTBVANW-ZUZCIYMTSA-N 0 0 248.297 3.740 10 0 BHAERN COc1cc2[nH]c3ccccc3c2cc1C ZINC000013108258 175018769 /nfs/dbraw/zinc/01/87/69/175018769.db2.gz XYYYPIAQQFQTAN-UHFFFAOYSA-N 0 0 211.264 3.638 10 0 endogenous,in-man BHAERN c1ccc(Cc2cncc3ccccc32)cc1 ZINC000013208213 384348822 /nfs/dbraw/zinc/34/88/22/384348822.db2.gz MXOJQXCHSCJYKX-UHFFFAOYSA-N 0 0 219.287 3.826 10 0 BHAERN CC[C@H](CCCc1ccncc1)c1ccncc1 ZINC000013209138 384350575 /nfs/dbraw/zinc/35/05/75/384350575.db2.gz QRDFPOVBSQVVLU-OAHLLOKOSA-N 0 0 240.350 3.993 10 0 BHAERN CC(C)c1[nH]c2ccccc2c1Cn1ccnc1 ZINC000013209291 167547622 /nfs/dbraw/zinc/54/76/22/167547622.db2.gz NZXGMVRYQLENHC-UHFFFAOYSA-N 0 0 239.322 3.536 10 0 in-vivo BHAERN CSc1ccc(-c2cn3ccccc3n2)cc1 ZINC000013209629 187587523 /nfs/dbraw/zinc/58/75/23/187587523.db2.gz NISWESXIUAVSRQ-UHFFFAOYSA-N 0 0 240.331 3.723 10 0 BHAERN c1coc(-c2nccc3c4ccccc4[nH]c32)c1 ZINC000013282586 384352701 /nfs/dbraw/zinc/35/27/01/384352701.db2.gz CNWBTQXHKWLFIJ-UHFFFAOYSA-N 0 0 234.258 3.976 10 0 BHAERN Brc1ccc(Nc2ccccn2)cc1 ZINC000013283880 166097227 /nfs/dbraw/zinc/09/72/27/166097227.db2.gz NIDLRXNAADDGDT-UHFFFAOYSA-N 0 0 249.111 3.588 10 0 BHAERN COc1cc2c(cc1[C@H](C)OC)C=CC(C)(C)O2 ZINC000013306393 175026938 /nfs/dbraw/zinc/02/69/38/175026938.db2.gz KIDINSSIUWCEBX-JTQLQIEISA-N 0 0 248.322 3.587 10 0 BHAERN COc1cc2c(cc1[C@@H](C)OC)C=CC(C)(C)O2 ZINC000013306398 175026920 /nfs/dbraw/zinc/02/69/20/175026920.db2.gz KIDINSSIUWCEBX-SNVBAGLBSA-N 0 0 248.322 3.587 10 0 BHAERN Oc1cc(O)cc(-c2cc3ccccc3o2)c1 ZINC000013339714 183260611 /nfs/dbraw/zinc/26/06/11/183260611.db2.gz ZZTDCNYCFAJAMX-UHFFFAOYSA-N 0 0 226.231 3.511 10 0 BHAERN C/C=C\c1ccc2c(c1)[C@@H](C)C(C)(C)O2 ZINC000013361115 571697860 /nfs/dbraw/zinc/69/78/60/571697860.db2.gz YXEPEHFXXORWGP-WWQCOOJYSA-N 0 0 202.297 3.994 10 0 endogenous,in-man BHAERN Cc1nc2c(ccc3c(C)c(C)[nH]c32)s1 ZINC000013362454 180069913 /nfs/dbraw/zinc/06/99/13/180069913.db2.gz KHWYTONZTLEARB-UHFFFAOYSA-N 0 0 216.309 3.703 10 0 BHAERN Oc1ccc(CSCc2ccc(O)cc2)cc1 ZINC000013378058 183271648 /nfs/dbraw/zinc/27/16/48/183271648.db2.gz OEISQDWSEZCYNH-UHFFFAOYSA-N 0 0 246.331 3.531 10 0 in-vitro BHAERN Clc1c[nH]c2cc(Br)ccc12 ZINC000013379355 358432866 /nfs/dbraw/zinc/43/28/66/358432866.db2.gz HNAPHNHPMKKVKB-UHFFFAOYSA-N 0 0 230.492 3.584 10 0 BHAERN CCOC(=O)[C@@H]1CCCC/C1=C\c1ccccc1 ZINC000013401809 170257675 /nfs/dbraw/zinc/25/76/75/170257675.db2.gz GUQHOONSULIHPC-OKFGHLOFSA-N 0 0 244.334 3.823 10 0 BHAERN CCOC(=O)[C@H]1CCCC/C1=C\c1ccccc1 ZINC000013401813 170279318 /nfs/dbraw/zinc/27/93/18/170279318.db2.gz GUQHOONSULIHPC-ZQHYZAEZSA-N 0 0 244.334 3.823 10 0 BHAERN Cc1ccc([C@]2(C)CCC(=O)C2(C)C)cc1 ZINC000013412365 290791955 /nfs/dbraw/zinc/79/19/55/290791955.db2.gz CYQNNBVTDFXXHX-HNNXBMFYSA-N 0 0 216.324 3.642 10 0 biogenic,in-vitro BHAERN Cc1ccc([C@@]2(C)CCC(=O)C2(C)C)cc1 ZINC000013412368 560216586 /nfs/dbraw/zinc/21/65/86/560216586.db2.gz CYQNNBVTDFXXHX-OAHLLOKOSA-N 0 0 216.324 3.642 10 0 biogenic,in-vitro BHAERN Cc1ccc([C@]2(C)CC(=O)CC2(C)C)cc1 ZINC000013412389 290791481 /nfs/dbraw/zinc/79/14/81/290791481.db2.gz MTWLTRIBMFLOIL-HNNXBMFYSA-N 0 0 216.324 3.642 10 0 biogenic,in-vitro BHAERN Cc1ccc([C@@]2(C)CC(=O)CC2(C)C)cc1 ZINC000013412392 387361224 /nfs/dbraw/zinc/36/12/24/387361224.db2.gz MTWLTRIBMFLOIL-OAHLLOKOSA-N 0 0 216.324 3.642 10 0 biogenic,in-vitro BHAERN Fc1ccc(-c2[nH]ccc2-c2ccncc2)cc1 ZINC000013445008 180957727 /nfs/dbraw/zinc/95/77/27/180957727.db2.gz WJDBZZUDGFGXKR-UHFFFAOYSA-N 0 0 238.265 3.883 10 0 BHAERN C[C@@H](c1c[nH]cn1)c1cccc2ccccc21 ZINC000013450482 176013188 /nfs/dbraw/zinc/01/31/88/176013188.db2.gz DZSQSLQSMKNVBV-LLVKDONJSA-N 0 0 222.291 3.715 10 0 in-vivo BHAERN C[C@H](c1c[nH]cn1)c1ccc2ccccc2c1 ZINC000013450488 176017084 /nfs/dbraw/zinc/01/70/84/176017084.db2.gz YRDASYXEOGTMQU-NSHDSACASA-N 0 0 222.291 3.715 10 0 BHAERN C[C@@H](c1c[nH]cn1)c1ccc2ccccc2c1 ZINC000013450493 177035957 /nfs/dbraw/zinc/03/59/57/177035957.db2.gz YRDASYXEOGTMQU-LLVKDONJSA-N 0 0 222.291 3.715 10 0 BHAERN C[C@@H](c1ncc[nH]1)c1cccc2ccccc21 ZINC000013450510 176039374 /nfs/dbraw/zinc/03/93/74/176039374.db2.gz WCIDBLYFACGZGW-LLVKDONJSA-N 0 0 222.291 3.715 10 0 BHAERN C[C@H](c1ncc[nH]1)c1cccc2ccccc21 ZINC000013450514 177053714 /nfs/dbraw/zinc/05/37/14/177053714.db2.gz WCIDBLYFACGZGW-NSHDSACASA-N 0 0 222.291 3.715 10 0 BHAERN C[C@H](c1ncc[nH]1)c1ccc2ccccc2c1 ZINC000013450526 176016357 /nfs/dbraw/zinc/01/63/57/176016357.db2.gz WVDIRTLHBANRPM-NSHDSACASA-N 0 0 222.291 3.715 10 0 BHAERN C[C@@H](c1ncc[nH]1)c1ccc2ccccc2c1 ZINC000013450530 177035149 /nfs/dbraw/zinc/03/51/49/177035149.db2.gz WVDIRTLHBANRPM-LLVKDONJSA-N 0 0 222.291 3.715 10 0 BHAERN COc1c(C(C)(C)C)cc(O)cc1C(C)(C)C ZINC000013451044 342867020 /nfs/dbraw/zinc/86/70/20/342867020.db2.gz AAVVRTLPZNMPMH-UHFFFAOYSA-N 0 0 236.355 3.996 10 0 BHAERN COc1cc(/C=C/c2cccs2)cc(OC)c1 ZINC000013471769 343089404 /nfs/dbraw/zinc/08/94/04/343089404.db2.gz URRYDXXEGGXDQJ-AATRIKPKSA-N 0 0 246.331 3.936 10 0 in-vivo BHAERN Oc1ccc2cc(-c3cccc(O)c3)sc2c1 ZINC000013472836 183286595 /nfs/dbraw/zinc/28/65/95/183286595.db2.gz LKYACRQMMKQRSQ-UHFFFAOYSA-N 0 0 242.299 3.980 10 0 BHAERN Cc1c2nccnc2[nH]c1-c1ccc(Cl)cc1 ZINC000013492969 177549689 /nfs/dbraw/zinc/54/96/89/177549689.db2.gz SZRBJCSOUDDITM-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN c1c2nccnc2[nH]c1-c1cccc2ccccc21 ZINC000013492982 343090026 /nfs/dbraw/zinc/09/00/26/343090026.db2.gz GOOPKIMTLVKCFF-UHFFFAOYSA-N 0 0 245.285 3.778 10 0 BHAERN c1c2nc3ccccc3nc2[nH]c1-c1ccccc1 ZINC000013492983 343089734 /nfs/dbraw/zinc/08/97/34/343089734.db2.gz JYNNROJYCARHFN-UHFFFAOYSA-N 0 0 245.285 3.778 10 0 BHAERN O=c1oc(Cl)ccc1CCC1CCCCC1 ZINC000013528641 183012525 /nfs/dbraw/zinc/01/25/25/183012525.db2.gz DVPWHXXSWGHZOL-UHFFFAOYSA-N 0 0 240.730 3.806 10 0 BHAERN CCCCOc1ccc(-c2ccccn2)cc1 ZINC000013530167 342867293 /nfs/dbraw/zinc/86/72/93/342867293.db2.gz OVHOEGWGUASELU-UHFFFAOYSA-N 0 0 227.307 3.928 10 0 BHAERN CCCCOc1ccc(-c2ccncc2)cc1 ZINC000013530173 168917221 /nfs/dbraw/zinc/91/72/21/168917221.db2.gz CFJNAALMLFXEDF-UHFFFAOYSA-N 0 0 227.307 3.928 10 0 BHAERN CCCCOc1ccc(-c2cnco2)cc1 ZINC000013530183 343090790 /nfs/dbraw/zinc/09/07/90/343090790.db2.gz PSSBWTPALOUROH-UHFFFAOYSA-N 0 0 217.268 3.521 10 0 BHAERN CCCCOc1ccc(-c2cocn2)cc1 ZINC000013530186 343090906 /nfs/dbraw/zinc/09/09/06/343090906.db2.gz LSDRRJJMBIDABR-UHFFFAOYSA-N 0 0 217.268 3.521 10 0 BHAERN CCCCOc1ccc(-c2ccno2)cc1 ZINC000013530189 343090908 /nfs/dbraw/zinc/09/09/08/343090908.db2.gz RTCYVSYLJFBKLB-UHFFFAOYSA-N 0 0 217.268 3.521 10 0 BHAERN CCCCOc1ccc(-c2ccon2)cc1 ZINC000013530192 168916444 /nfs/dbraw/zinc/91/64/44/168916444.db2.gz CCLDRSRWGWGQAI-UHFFFAOYSA-N 0 0 217.268 3.521 10 0 BHAERN CCCCOc1ccc(-c2ccns2)cc1 ZINC000013530195 168916323 /nfs/dbraw/zinc/91/63/23/168916323.db2.gz XIJNLZJHRREJKI-UHFFFAOYSA-N 0 0 233.336 3.989 10 0 BHAERN CCCCOc1ccc(-c2cc[nH]c2)cc1 ZINC000013530207 343091086 /nfs/dbraw/zinc/09/10/86/343091086.db2.gz BMFUKBQBNCLWGI-UHFFFAOYSA-N 0 0 215.296 3.861 10 0 BHAERN CCCCOc1ccccc1-c1ccno1 ZINC000013530212 343091222 /nfs/dbraw/zinc/09/12/22/343091222.db2.gz GCLVZVSTRWZGFK-UHFFFAOYSA-N 0 0 217.268 3.521 10 0 BHAERN CCCCOc1cccc(-c2ccno2)c1 ZINC000013530215 343091191 /nfs/dbraw/zinc/09/11/91/343091191.db2.gz WQYJPEHBLXPHHJ-UHFFFAOYSA-N 0 0 217.268 3.521 10 0 BHAERN CCCCOc1ccc(-c2cc(C)no2)cc1 ZINC000013530218 343091171 /nfs/dbraw/zinc/09/11/71/343091171.db2.gz XEKAEMQSBUSNIO-UHFFFAOYSA-N 0 0 231.295 3.829 10 0 BHAERN CCCCOc1ccc(-c2oncc2C)cc1 ZINC000013530221 343091098 /nfs/dbraw/zinc/09/10/98/343091098.db2.gz KWEADCNYIUWGLT-UHFFFAOYSA-N 0 0 231.295 3.829 10 0 BHAERN CCCCOc1ccc(-c2cc(C)[nH]n2)cc1 ZINC000013530230 343091321 /nfs/dbraw/zinc/09/13/21/343091321.db2.gz MSHWCOQQFPXUKE-UHFFFAOYSA-N 0 0 230.311 3.564 10 0 BHAERN CCCCOc1ccc(-c2n[nH]cc2C)cc1 ZINC000013530233 343091266 /nfs/dbraw/zinc/09/12/66/343091266.db2.gz LBNCHIKFTCJSPM-UHFFFAOYSA-N 0 0 230.311 3.564 10 0 BHAERN Fc1ccc2c(c1)CC/C2=C\c1ccncc1 ZINC000013535834 343091971 /nfs/dbraw/zinc/09/19/71/343091971.db2.gz KVRYTKBSTLSXKC-FMIVXFBMSA-N 0 0 225.266 3.708 10 0 in-vivo BHAERN COc1ccc(/C=C/c2cccs2)cc1 ZINC000013553961 175048404 /nfs/dbraw/zinc/04/84/04/175048404.db2.gz KYPWMKCTXUVDQV-RMKNXTFCSA-N 0 0 216.305 3.927 10 0 BHAERN COc1ccc(/C=C\c2ccsc2)cc1 ZINC000013553962 175048806 /nfs/dbraw/zinc/04/88/06/175048806.db2.gz CUEHRJUKAGPKGZ-IHWYPQMZSA-N 0 0 216.305 3.927 10 0 BHAERN COc1ccc(/C=C/c2ccsc2)cc1 ZINC000013553963 175048317 /nfs/dbraw/zinc/04/83/17/175048317.db2.gz CUEHRJUKAGPKGZ-NSCUHMNNSA-N 0 0 216.305 3.927 10 0 BHAERN Oc1cc(Cl)ccc1Oc1ccccc1 ZINC000013559000 183259449 /nfs/dbraw/zinc/25/94/49/183259449.db2.gz ZVTLRRZWZYDDLD-UHFFFAOYSA-N 0 0 220.655 3.838 10 0 in-vitro BHAERN CCCc1nccc2c3ccccc3[nH]c21 ZINC000013587053 188166216 /nfs/dbraw/zinc/16/62/16/188166216.db2.gz FBSJCDZVFXGGBM-UHFFFAOYSA-N 0 0 210.280 3.669 10 0 BHAERN Oc1ccc(/C(F)=C/c2ccccc2)cc1 ZINC000013587103 183266505 /nfs/dbraw/zinc/26/65/05/183266505.db2.gz QVLSDAQNDDYLDE-UVTDQMKNSA-N 0 0 214.239 3.860 10 0 BHAERN C/C(=C/c1ccc(O)cc1)c1ccccc1 ZINC000013587105 188342900 /nfs/dbraw/zinc/34/29/00/188342900.db2.gz ZHWPZQPCZKOLIW-QXMHVHEDSA-N 0 0 210.276 3.953 10 0 BHAERN COC(=O)[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000013589340 362786700 /nfs/dbraw/zinc/78/67/00/362786700.db2.gz SVAIHUDRBSNKFR-LBPRGKRZSA-N 0 0 240.302 3.630 10 0 BHAERN COC(=O)[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000013589341 362787347 /nfs/dbraw/zinc/78/73/47/362787347.db2.gz SVAIHUDRBSNKFR-GFCCVEGCSA-N 0 0 240.302 3.630 10 0 BHAERN Cc1ccnc2c1CCC/C2=C\c1ccncc1 ZINC000013602675 397986499 /nfs/dbraw/zinc/98/64/99/397986499.db2.gz XPVRACRNFCDHKF-SDNWHVSQSA-N 0 0 236.318 3.662 10 0 BHAERN Brc1cncc(-c2ccsc2)c1 ZINC000013607090 166104740 /nfs/dbraw/zinc/10/47/40/166104740.db2.gz IYAGRWHFCHXMGZ-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN COc1ccc(/C=C\c2ccccc2)cc1O ZINC000013607878 175048746 /nfs/dbraw/zinc/04/87/46/175048746.db2.gz QVPJESIABXRENB-FPLPWBNLSA-N 0 0 226.275 3.571 10 0 BHAERN Fc1ccc2c(c1)CC/C2=C\c1cccnc1 ZINC000013610768 180985214 /nfs/dbraw/zinc/98/52/14/180985214.db2.gz WLUDJBASYYHRDC-XYOKQWHBSA-N 0 0 225.266 3.708 10 0 in-vivo BHAERN Fc1ccc2c(c1)CC/C2=C/c1cccnc1 ZINC000013610771 343096657 /nfs/dbraw/zinc/09/66/57/343096657.db2.gz WLUDJBASYYHRDC-WQLSENKSSA-N 0 0 225.266 3.708 10 0 in-vivo BHAERN Oc1ccc(-c2ccc3cc(O)ccc3c2)cc1 ZINC000013644983 183263868 /nfs/dbraw/zinc/26/38/68/183263868.db2.gz SKPPZWVFPOQPOT-UHFFFAOYSA-N 0 0 236.270 3.918 10 0 in-vivo BHAERN Oc1cccc(-c2ccc3c(O)cccc3c2)c1 ZINC000013644987 183285754 /nfs/dbraw/zinc/28/57/54/183285754.db2.gz HXKYTCGOCJUQSE-UHFFFAOYSA-N 0 0 236.270 3.918 10 0 in-vivo BHAERN Oc1ccc(-c2ccc3c(O)cccc3c2)cc1 ZINC000013644990 183264651 /nfs/dbraw/zinc/26/46/51/183264651.db2.gz MBESMLNJQCOTRU-UHFFFAOYSA-N 0 0 236.270 3.918 10 0 in-vivo BHAERN Oc1ccc2cc(-c3ccccc3O)ccc2c1 ZINC000013644993 183285169 /nfs/dbraw/zinc/28/51/69/183285169.db2.gz SMFVAKMYNVSVKJ-UHFFFAOYSA-N 0 0 236.270 3.918 10 0 in-vivo BHAERN Oc1cccc(-c2ccc3cc(O)ccc3c2)c1 ZINC000013644996 183286781 /nfs/dbraw/zinc/28/67/81/183286781.db2.gz VHWBXEUHUQDHDH-UHFFFAOYSA-N 0 0 236.270 3.918 10 0 in-vivo BHAERN Oc1ccc(-c2ccc3ccc(O)cc3c2)cc1 ZINC000013645002 183263887 /nfs/dbraw/zinc/26/38/87/183263887.db2.gz NSCZTZNRMFWAIY-UHFFFAOYSA-N 0 0 236.270 3.918 10 0 in-vivo BHAERN Oc1cccc(-c2ccc3ccc(O)cc3c2)c1 ZINC000013645006 183285762 /nfs/dbraw/zinc/28/57/62/183285762.db2.gz VEQWNMMVQWDERW-UHFFFAOYSA-N 0 0 236.270 3.918 10 0 in-vivo BHAERN c1c2cnc3ccccc3c2nn1-c1ccccc1 ZINC000013648697 183386928 /nfs/dbraw/zinc/38/69/28/183386928.db2.gz GUVLEBBZKMQLIY-UHFFFAOYSA-N 0 0 245.285 3.574 10 0 in-vivo BHAERN Cc1oc2c(c1C)c1[nH]c(=O)cc(C)c1cc2C ZINC000013652041 343099466 /nfs/dbraw/zinc/09/94/66/343099466.db2.gz ZFHPBRXQLCICCO-UHFFFAOYSA-N 0 0 241.290 3.508 10 0 BHAERN Oc1ccc2[nH]c3c(c2c1)CCCCCC3 ZINC000013652168 183278421 /nfs/dbraw/zinc/27/84/21/183278421.db2.gz MMXNTKPOEWSCKI-UHFFFAOYSA-N 0 0 215.296 3.533 10 0 BHAERN Cn1c2ccc(O)cc2c2c1CCCCCC2 ZINC000013652169 343099570 /nfs/dbraw/zinc/09/95/70/343099570.db2.gz QCPWUOGDMGEFEI-UHFFFAOYSA-N 0 0 229.323 3.543 10 0 BHAERN c1ccc(-c2cnnc(-c3ccccc3)c2)cc1 ZINC000013673492 183382314 /nfs/dbraw/zinc/38/23/14/183382314.db2.gz RTNPJCQBMCRDSE-UHFFFAOYSA-N 0 0 232.286 3.811 10 0 BHAERN COc1ccc2cc(-c3cccnc3)ccc2c1 ZINC000013674448 175224043 /nfs/dbraw/zinc/22/40/43/175224043.db2.gz DCVWYSMRLGKIJB-UHFFFAOYSA-N 0 0 235.286 3.910 10 0 in-vivo BHAERN Oc1ccc2cc(-c3cccnc3)ccc2c1 ZINC000013674450 183284875 /nfs/dbraw/zinc/28/48/75/183284875.db2.gz MDXMZUQFVFTPDO-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 in-vivo BHAERN COc1ccc2ccc(-c3cccnc3)cc2c1 ZINC000013674468 175225886 /nfs/dbraw/zinc/22/58/86/175225886.db2.gz NJTAFJUCZKIVLW-UHFFFAOYSA-N 0 0 235.286 3.910 10 0 BHAERN COc1cc2ccccc2cc1-c1cccnc1 ZINC000013674472 175027469 /nfs/dbraw/zinc/02/74/69/175027469.db2.gz BOBLGZTWMWPSBX-UHFFFAOYSA-N 0 0 235.286 3.910 10 0 BHAERN COc1ccc2cc(-c3ccncc3)ccc2c1 ZINC000013674495 175224117 /nfs/dbraw/zinc/22/41/17/175224117.db2.gz FTKCLADTNNFFNU-UHFFFAOYSA-N 0 0 235.286 3.910 10 0 BHAERN Cc1nc(Cc2c[nH]c3ccccc23)cs1 ZINC000013679692 179984325 /nfs/dbraw/zinc/98/43/25/179984325.db2.gz HGYKXFGBOKPDMW-UHFFFAOYSA-N 0 0 228.320 3.524 10 0 BHAERN c1ccc2c(c1)C=C(c1cccnc1)CC2 ZINC000013684500 384866096 /nfs/dbraw/zinc/86/60/96/384866096.db2.gz AXLDMZNUHQOZFK-UHFFFAOYSA-N 0 0 207.276 3.568 10 0 in-vivo BHAERN COc1ccc2c(c1)CCC(c1cccnc1)=C2 ZINC000013684508 175207946 /nfs/dbraw/zinc/20/79/46/175207946.db2.gz WUTGTMFGCHNUET-UHFFFAOYSA-N 0 0 237.302 3.577 10 0 in-vivo BHAERN COc1ccc2c(c1)C=C(c1cccnc1)CC2 ZINC000013684511 175207963 /nfs/dbraw/zinc/20/79/63/175207963.db2.gz FRRCRJNTZUDNQM-UHFFFAOYSA-N 0 0 237.302 3.577 10 0 BHAERN CC1=C(c2cccnc2)CCc2ccccc21 ZINC000013684515 168088689 /nfs/dbraw/zinc/08/86/89/168088689.db2.gz WBEMJRFRGOAAJI-UHFFFAOYSA-N 0 0 221.303 3.959 10 0 in-vivo BHAERN C[C@@H]1Cc2ccccc2C=C1c1cccnc1 ZINC000013684522 384865892 /nfs/dbraw/zinc/86/58/92/384865892.db2.gz ARDWAGDGUKXSPH-GFCCVEGCSA-N 0 0 221.303 3.814 10 0 in-vivo BHAERN C[C@H]1Cc2ccccc2C=C1c1cccnc1 ZINC000013684526 177389462 /nfs/dbraw/zinc/38/94/62/177389462.db2.gz ARDWAGDGUKXSPH-LBPRGKRZSA-N 0 0 221.303 3.814 10 0 in-vivo BHAERN COc1ccc2c(c1)CCC(c1ccncc1)=C2 ZINC000013684544 175207483 /nfs/dbraw/zinc/20/74/83/175207483.db2.gz QCWIENOGGDTTEN-UHFFFAOYSA-N 0 0 237.302 3.577 10 0 in-vivo BHAERN COc1ccc2oc(-c3ccc(N)cc3)cc2c1 ZINC000013686334 175230705 /nfs/dbraw/zinc/23/07/05/175230705.db2.gz GICMHQJTKXNMGB-UHFFFAOYSA-N 0 0 239.274 3.691 10 0 in-vivo BHAERN CNc1ccc(-c2cc3cc(O)ccc3o2)cc1 ZINC000013686348 384866422 /nfs/dbraw/zinc/86/64/22/384866422.db2.gz ZNESXKIPTICLME-UHFFFAOYSA-N 0 0 239.274 3.847 10 0 in-vivo BHAERN CC[C@@H](C)Oc1cc2c(cn1)[nH]c1ccccc12 ZINC000013728520 343102473 /nfs/dbraw/zinc/10/24/73/343102473.db2.gz JKWXAXMOLXCXJS-SNVBAGLBSA-N 0 0 240.306 3.893 10 0 BHAERN CC[C@H](C)Oc1cc2c(cn1)[nH]c1ccccc12 ZINC000013728523 343102108 /nfs/dbraw/zinc/10/21/08/343102108.db2.gz JKWXAXMOLXCXJS-JTQLQIEISA-N 0 0 240.306 3.893 10 0 BHAERN CC(C)COc1cc2c(cn1)[nH]c1ccccc12 ZINC000013728526 384870356 /nfs/dbraw/zinc/87/03/56/384870356.db2.gz KWHWSXISOMCUPZ-UHFFFAOYSA-N 0 0 240.306 3.751 10 0 in-vivo BHAERN CC[C@H](C)[C@@H]1C[C@@H](Cc2ccccc2)SC1=O ZINC000013737346 171381660 /nfs/dbraw/zinc/38/16/60/171381660.db2.gz BGCYZMXAVKUSEX-YUTCNCBUSA-N 0 0 248.391 3.924 10 0 BHAERN CC[C@H](C)[C@H]1C[C@@H](Cc2ccccc2)SC1=O ZINC000013737348 384867898 /nfs/dbraw/zinc/86/78/98/384867898.db2.gz BGCYZMXAVKUSEX-IACUBPJLSA-N 0 0 248.391 3.924 10 0 BHAERN c1ccc(-c2cc3c(nn2)-c2ccccc2C3)cc1 ZINC000013743562 183379770 /nfs/dbraw/zinc/37/97/70/183379770.db2.gz RQLLESRRTCUQDH-UHFFFAOYSA-N 0 0 244.297 3.715 10 0 BHAERN Cc1ccc2ncc(-c3ccccc3)nc2c1 ZINC000013756092 343103263 /nfs/dbraw/zinc/10/32/63/343103263.db2.gz XTEPSHPZFXYBOW-UHFFFAOYSA-N 0 0 220.275 3.605 10 0 BHAERN c1ccc(-c2nc3cnc4ccccc4c3[nH]2)cc1 ZINC000013756971 183383310 /nfs/dbraw/zinc/38/33/10/183383310.db2.gz ZGICTZVKFFYIEA-UHFFFAOYSA-N 0 0 245.285 3.778 10 0 in-vivo BHAERN C=C(c1c[nH]cn1)c1cccc2ccccc21 ZINC000013757201 343103271 /nfs/dbraw/zinc/10/32/71/343103271.db2.gz RADFITYEEZIPNJ-UHFFFAOYSA-N 0 0 220.275 3.624 10 0 in-vivo BHAERN c1nc([C@@H]2CCc3cccc4cccc2c43)c[nH]1 ZINC000013757206 183375029 /nfs/dbraw/zinc/37/50/29/183375029.db2.gz KFGFWNKBPWPCKX-CYBMUJFWSA-N 0 0 234.302 3.641 10 0 in-vivo BHAERN c1nc([C@H]2CCc3cccc4cccc2c43)c[nH]1 ZINC000013757208 183374105 /nfs/dbraw/zinc/37/41/05/183374105.db2.gz KFGFWNKBPWPCKX-ZDUSSCGKSA-N 0 0 234.302 3.641 10 0 in-vivo BHAERN CC(C)c1cc(N(C)C)cc(C(C)C)c1O ZINC000013779581 343103465 /nfs/dbraw/zinc/10/34/65/343103465.db2.gz BOEKREBRMTXRRJ-UHFFFAOYSA-N 0 0 221.344 3.705 10 0 in-vivo BHAERN CC(=O)Oc1c(C(C)C)cccc1C(C)C ZINC000013779584 188105835 /nfs/dbraw/zinc/10/58/35/188105835.db2.gz UVYYQAXNOURFPH-UHFFFAOYSA-N 0 0 220.312 3.859 10 0 in-vivo BHAERN CCc1ccc2c(c1)Oc1ccccc1[S@@]2=O ZINC000013779747 384870042 /nfs/dbraw/zinc/87/00/42/384870042.db2.gz BQJREPACXANOEP-QGZVFWFLSA-N 0 0 244.315 3.521 10 0 BHAERN CCc1ccc2c(c1)Oc1ccccc1[S@]2=O ZINC000013779748 171846971 /nfs/dbraw/zinc/84/69/71/171846971.db2.gz BQJREPACXANOEP-KRWDZBQOSA-N 0 0 244.315 3.521 10 0 BHAERN CCCCCSc1ccccc1OC(C)=O ZINC000013782079 343103410 /nfs/dbraw/zinc/10/34/10/343103410.db2.gz QCBPAZOETZPVCH-UHFFFAOYSA-N 0 0 238.352 3.894 10 0 in-vivo BHAERN Clc1ccc2ncn(-c3ccccc3)c2c1 ZINC000013782584 180588391 /nfs/dbraw/zinc/58/83/91/180588391.db2.gz SWMBNKSGZGEGRY-UHFFFAOYSA-N 0 0 228.682 3.679 10 0 BHAERN O=c1ccc(CCC2CCCCC2)c(Cl)o1 ZINC000013801310 183000155 /nfs/dbraw/zinc/00/01/55/183000155.db2.gz PEZSJIURMXBBJF-UHFFFAOYSA-N 0 0 240.730 3.806 10 0 BHAERN CCC1(CC)CCc2cc(OC)ccc2C1=O ZINC000013832203 384877603 /nfs/dbraw/zinc/87/76/03/384877603.db2.gz JTJMCVUCVYQEFN-UHFFFAOYSA-N 0 0 232.323 3.631 10 0 BHAERN CCCCC/C=C/C=C/C(=O)N1CCCCC1 ZINC000013838507 560220820 /nfs/dbraw/zinc/22/08/20/560220820.db2.gz ZPSGREUUQGTKDE-ZICOIJLXSA-N 0 0 235.371 3.692 10 0 biogenic,in-vitro BHAERN Oc1ccc(-c2cccc(Cl)c2)cc1F ZINC000013840589 183264554 /nfs/dbraw/zinc/26/45/54/183264554.db2.gz BLYYMXFLHYQTNT-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Oc1ccc(-c2cccc(Cl)c2)c(F)c1 ZINC000013840593 183264186 /nfs/dbraw/zinc/26/41/86/183264186.db2.gz DQJKGKGGGSFYGT-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN CCc1cccc(CC)c1NC1=NCCCS1 ZINC000013858466 188106496 /nfs/dbraw/zinc/10/64/96/188106496.db2.gz YOCFYHIDHMZGFH-UHFFFAOYSA-N 0 0 248.395 3.716 10 0 BHAERN Cc1cccc(C)c1SCC(=O)C(F)(F)F ZINC000013859421 179049150 /nfs/dbraw/zinc/04/91/50/179049150.db2.gz ZHUBOZAPCMASRL-UHFFFAOYSA-N 0 0 248.269 3.527 10 0 BHAERN CCCCCCc1c(O)cc(C)cc1O ZINC000014439152 187651917 /nfs/dbraw/zinc/65/19/17/187651917.db2.gz XPKLONXIXRADCG-UHFFFAOYSA-N 0 0 208.301 3.529 10 0 BHAERN COc1ccc2c(c1)O[C@H](c1ccccc1)CC2 ZINC000014452734 383971576 /nfs/dbraw/zinc/97/15/76/383971576.db2.gz BEHZDUTVWKWHEY-HNNXBMFYSA-N 0 0 240.302 3.762 10 0 BHAERN COc1ccc2c(c1)O[C@@H](c1ccccc1)CC2 ZINC000014452735 383970162 /nfs/dbraw/zinc/97/01/62/383970162.db2.gz BEHZDUTVWKWHEY-OAHLLOKOSA-N 0 0 240.302 3.762 10 0 BHAERN CCC/C=C/c1cc2c(ccc(O)c2C=O)o1 ZINC000014502558 384107766 /nfs/dbraw/zinc/10/77/66/384107766.db2.gz YBEKEVJDAKBMRA-SNAWJCMRSA-N 0 0 230.263 3.764 10 0 BHAERN Oc1ccc(-c2cnc3ccccc3c2)cc1 ZINC000014505260 183264847 /nfs/dbraw/zinc/26/48/47/183264847.db2.gz MXMDOWMDGWXEHJ-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN CC(=O)O[C@@H](C)/C=C/[C@@H]1C(C)=CCCC1(C)C ZINC000014587711 342881975 /nfs/dbraw/zinc/88/19/75/342881975.db2.gz WHHAWKIPTSGTNC-BZEACYEMSA-N 0 0 236.355 3.877 10 0 BHAERN COc1cc(C)ccc1Oc1ccccc1 ZINC000014590433 384929316 /nfs/dbraw/zinc/92/93/16/384929316.db2.gz JNGWVJQPDOPBHT-UHFFFAOYSA-N 0 0 214.264 3.796 10 0 BHAERN CCCCCCC(C)(OCC)OCC ZINC000014616811 343127262 /nfs/dbraw/zinc/12/72/62/343127262.db2.gz NOKZYDQSAKVYAZ-UHFFFAOYSA-N 0 0 202.338 3.746 10 0 BHAERN Cc1cc(O)cc(Oc2cc(C)cc(O)c2)c1 ZINC000014635109 178199874 /nfs/dbraw/zinc/19/98/74/178199874.db2.gz SPCJQQBYWVGMQG-UHFFFAOYSA-N 0 0 230.263 3.507 10 0 in-vitro BHAERN C/C=C/c1cc(OC)ccc1OC(=O)[C@H](C)CC ZINC000014679996 560100887 /nfs/dbraw/zinc/10/08/87/560100887.db2.gz YARRWVYKHJNVHX-OKPNEXGHSA-N 0 0 248.322 3.680 10 0 endogenous,in-man BHAERN Cc1ccc2cc(C(C)C)c(O)c3c2c1C(=O)O3 ZINC000014689925 362933829 /nfs/dbraw/zinc/93/38/29/362933829.db2.gz CHCQNBTYGKQUQV-UHFFFAOYSA-N 0 0 242.274 3.510 10 0 BHAERN Cc1ccc([C@@]2(C)CC[C@H](C(C)C)O2)o1 ZINC000014723380 178879847 /nfs/dbraw/zinc/87/98/47/178879847.db2.gz OTCYDBRXABTHJM-DGCLKSJQSA-N 0 0 208.301 3.638 10 0 BHAERN Cc1c2c(C=O)coc2cc2c1[C@H](C)CCC2=O ZINC000014883386 259303139 /nfs/dbraw/zinc/30/31/39/259303139.db2.gz CTWSYQBTROEFSB-MRVPVSSYSA-N 0 0 242.274 3.634 10 0 BHAERN CC(=O)CCC1=CCC(=C(C)C)C(=O)C[C@H]1C ZINC000014884876 363227170 /nfs/dbraw/zinc/22/71/70/363227170.db2.gz JWUVBGKPYDWLJC-LLVKDONJSA-N 0 0 234.339 3.617 10 0 BHAERN Fc1ccc(N2CCc3ccccc3C2)cc1F ZINC000014949346 132322665 /nfs/dbraw/zinc/32/26/65/132322665.db2.gz RTLGDLOKGBZEJQ-UHFFFAOYSA-N 0 0 245.272 3.528 10 0 BHAERN c1cc(C2SCCS2)oc1-c1cccnc1 ZINC000014949855 183488280 /nfs/dbraw/zinc/48/82/80/183488280.db2.gz UITMTMQMFFBLFB-UHFFFAOYSA-N 0 0 249.360 3.820 10 0 in-vivo BHAERN CCc1ccc(Oc2ccccc2)c(O)c1 ZINC000014961100 560227953 /nfs/dbraw/zinc/22/79/53/560227953.db2.gz XZOPHRPAUNJURP-UHFFFAOYSA-N 0 0 214.264 3.747 10 0 in-vitro BHAERN C=CC(=O)Oc1ccc(CCCCC)cc1 ZINC000014968989 343136874 /nfs/dbraw/zinc/13/68/74/343136874.db2.gz SJJQAOSPHOBWOG-UHFFFAOYSA-N 0 0 218.296 3.511 10 0 BHAERN C=CC(=O)Oc1ccc(CCCCCC)cc1 ZINC000014968995 343136801 /nfs/dbraw/zinc/13/68/01/343136801.db2.gz PDXYDPKVADBIMM-UHFFFAOYSA-N 0 0 232.323 3.901 10 0 BHAERN C=CC(=O)Nc1ccc(CCCCCC)cc1 ZINC000014969026 343136915 /nfs/dbraw/zinc/13/69/15/343136915.db2.gz PLZCRSIPFQILMX-UHFFFAOYSA-N 0 0 231.339 3.934 10 0 BHAERN CCCCCCc1ccc(C(=O)CF)cc1 ZINC000014969059 343136851 /nfs/dbraw/zinc/13/68/51/343136851.db2.gz WVXBETPXOHTEOO-UHFFFAOYSA-N 0 0 222.303 3.962 10 0 BHAERN c1ccc(-c2ncc3c(n2)Cc2ccccc2-3)cc1 ZINC000014970122 183383756 /nfs/dbraw/zinc/38/37/56/183383756.db2.gz WKNLNSYWILENQR-UHFFFAOYSA-N 0 0 244.297 3.715 10 0 in-vivo BHAERN c1ccc(-c2ncc3c(n2)-c2ccccc2C3)cc1 ZINC000014970129 183383302 /nfs/dbraw/zinc/38/33/02/183383302.db2.gz GOMPLLCNQNCUNU-UHFFFAOYSA-N 0 0 244.297 3.715 10 0 in-vivo BHAERN c1nc(Cc2cccc(-c3ccccc3)c2)c[nH]1 ZINC000014979040 183379274 /nfs/dbraw/zinc/37/92/74/183379274.db2.gz GSLLVEOVBVOMBQ-UHFFFAOYSA-N 0 0 234.302 3.668 10 0 BHAERN Clc1n[nH]c2cc(Cl)cc(Cl)c12 ZINC000014983871 342890150 /nfs/dbraw/zinc/89/01/50/342890150.db2.gz DUSLYHDMPAHQAC-UHFFFAOYSA-N 0 0 221.474 3.523 10 0 BHAERN Clc1cccc2sc(NCC3CC3)nc21 ZINC000015042958 342891122 /nfs/dbraw/zinc/89/11/22/342891122.db2.gz AKOCQBBAUBWLPU-UHFFFAOYSA-N 0 0 238.743 3.772 10 0 BHAERN Cc1cc2cccc(Br)c2s1 ZINC000015043099 178297175 /nfs/dbraw/zinc/29/71/75/178297175.db2.gz XFHOPSWPWLPVBF-UHFFFAOYSA-N 0 0 227.126 3.972 10 0 BHAERN CC(C)=CCc1cc(Br)ccc1O ZINC000015043167 342891105 /nfs/dbraw/zinc/89/11/05/342891105.db2.gz VCTDHGWQXXRHAC-UHFFFAOYSA-N 0 0 241.128 3.663 10 0 BHAERN COc1ccc(/C=C\c2cccc(OC)c2)cc1 ZINC000015117301 175049296 /nfs/dbraw/zinc/04/92/96/175049296.db2.gz PMVLDTCOUSZSHN-SREVYHEPSA-N 0 0 240.302 3.874 10 0 biogenic,in-vitro BHAERN Cc1cc(OCc2ccccc2)cc(C)c1O ZINC000015119447 343262900 /nfs/dbraw/zinc/26/29/00/343262900.db2.gz VXUHULYNFJDSLC-UHFFFAOYSA-N 0 0 228.291 3.588 10 0 BHAERN CCC[C@H]1CCC2(CC[C@H](CCC)O2)O1 ZINC000015122096 169523414 /nfs/dbraw/zinc/52/34/14/169523414.db2.gz LPKNCNDPYXUXOL-VYAYZGMFSA-N 0 0 212.333 3.641 10 0 BHAERN CCCCC/C=C\CC/C=C/C(=O)OC ZINC000015146060 188168664 /nfs/dbraw/zinc/16/86/64/188168664.db2.gz IYSZVOVZPVKXIJ-OFALOCIGSA-N 0 0 210.317 3.632 10 0 endogenous,in-man BHAERN Cc1c2[nH]c3ccccc3c2c(C)c2c1CC[NH+]=C2 ZINC000015150762 560228924 /nfs/dbraw/zinc/22/89/24/560228924.db2.gz CKERKSAMDZOBHU-UHFFFAOYSA-N 0 0 248.329 3.913 10 0 biogenic,in-vitro BHAERN Cc1coc2c1CC(=O)[C@@H](C)CC/C=C(/C)C2 ZINC000015160671 187243027 /nfs/dbraw/zinc/24/30/27/187243027.db2.gz ZLESWHXADLWJPV-VQNWOSHQSA-N 0 0 232.323 3.618 10 0 endogenous,in-man BHAERN C[C@@H]1CCC=C2CC[C@H](C(C)(C)O)C[C@]21C ZINC000015201058 571734762 /nfs/dbraw/zinc/73/47/62/571734762.db2.gz MQWIFDHBNGIVPO-ZLDLUXBVSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN O=C(Nc1ccc(F)cc1)OCc1ccccc1 ZINC000015203186 343265136 /nfs/dbraw/zinc/26/51/36/343265136.db2.gz WFJCSNHPYGESIO-UHFFFAOYSA-N 0 0 245.253 3.574 10 0 BHAERN FC(F)(F)C(F)(F)c1ccc2ccccc2n1 ZINC000015203293 343265192 /nfs/dbraw/zinc/26/51/92/343265192.db2.gz GVJDLIPCGMCJIS-UHFFFAOYSA-N 0 0 247.166 3.889 10 0 BHAERN CC1=CCC[C@]2(C)CC[C@H](C(C)C)C(=O)[C@@H]12 ZINC000015209386 571735894 /nfs/dbraw/zinc/73/58/94/571735894.db2.gz OUIUORSUNABXEN-UMVBOHGHSA-N 0 0 220.356 3.984 10 0 endogenous,in-man BHAERN C[C@@H]1CCC[C@@]2(C)CC[C@@H](C(C)(C)O)C=C12 ZINC000015209575 571736002 /nfs/dbraw/zinc/73/60/02/571736002.db2.gz SRHDLIDOZXPROB-JMSVASOKSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN C[C@@H]1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C=C12 ZINC000015209579 571735875 /nfs/dbraw/zinc/73/58/75/571735875.db2.gz SRHDLIDOZXPROB-LALPHHSUSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN CC1=CCC[C@]2(C)CC[C@@H](C(C)C)C(=O)[C@@H]12 ZINC000015209689 571735922 /nfs/dbraw/zinc/73/59/22/571735922.db2.gz OUIUORSUNABXEN-GZBFAFLISA-N 0 0 220.356 3.984 10 0 endogenous,in-man BHAERN Cc1cc(=O)c(C(C)C)cc2c1CC[C@@H]2C ZINC000015264978 368068057 /nfs/dbraw/zinc/06/80/57/368068057.db2.gz UGZCHVLYDNLQTR-JTQLQIEISA-N 0 0 216.324 3.528 10 0 BHAERN Cc1cc(=O)c(C(C)C)cc2c1CC[C@H]2C ZINC000015264980 368068118 /nfs/dbraw/zinc/06/81/18/368068118.db2.gz UGZCHVLYDNLQTR-SNVBAGLBSA-N 0 0 216.324 3.528 10 0 BHAERN Cc1cccc(/C=C/C(=O)Nc2ccccc2)c1 ZINC000015348509 179002963 /nfs/dbraw/zinc/00/29/63/179002963.db2.gz YUMGTOVQQQXXLP-ZHACJKMWSA-N 0 0 237.302 3.647 10 0 BHAERN CCc1ccc(C(=O)Cc2ccccc2)cc1 ZINC000015441704 385272735 /nfs/dbraw/zinc/27/27/35/385272735.db2.gz GEURXSQJHKDMQC-UHFFFAOYSA-N 0 0 224.303 3.674 10 0 BHAERN Cc1ccc(C(=O)Cc2ccccc2)cc1F ZINC000015441709 178374299 /nfs/dbraw/zinc/37/42/99/178374299.db2.gz WBKFTGLMOVAQCB-UHFFFAOYSA-N 0 0 228.266 3.560 10 0 BHAERN Cc1cc(C(=O)Cc2ccccc2)ccc1F ZINC000015441712 385273227 /nfs/dbraw/zinc/27/32/27/385273227.db2.gz YKLZEMOGUSQBNK-UHFFFAOYSA-N 0 0 228.266 3.560 10 0 BHAERN Cc1cc(C)cc(C(=O)Cc2ccccc2)c1 ZINC000015441728 385273838 /nfs/dbraw/zinc/27/38/38/385273838.db2.gz QLMINIZEJASWSI-UHFFFAOYSA-N 0 0 224.303 3.729 10 0 BHAERN FC(F)=C(F)C(F)(F)Oc1ccccc1 ZINC000015441996 187933787 /nfs/dbraw/zinc/93/37/87/187933787.db2.gz VJMWJOQSRWKREJ-UHFFFAOYSA-N 0 0 224.128 3.736 10 0 BHAERN CC(C)Cc1ccc(-c2ccon2)cc1 ZINC000015442916 187652775 /nfs/dbraw/zinc/65/27/75/187652775.db2.gz VNUJMOKEHJLBKM-UHFFFAOYSA-N 0 0 201.269 3.540 10 0 BHAERN Oc1ccccc1/C=C/c1ccc(F)cc1 ZINC000015772255 343268438 /nfs/dbraw/zinc/26/84/38/343268438.db2.gz MCUZKJQJDWVQDQ-VMPITWQZSA-N 0 0 214.239 3.702 10 0 BHAERN O=C1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000015774163 385344768 /nfs/dbraw/zinc/34/47/68/385344768.db2.gz GRRKOPXUFPWKHR-NSHDSACASA-N 0 0 208.688 3.567 10 0 BHAERN O=C1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000015774165 385344576 /nfs/dbraw/zinc/34/45/76/385344576.db2.gz GRRKOPXUFPWKHR-LLVKDONJSA-N 0 0 208.688 3.567 10 0 BHAERN c1onc2ccc(Oc3ccccc3)cc12 ZINC000015779534 187998834 /nfs/dbraw/zinc/99/88/34/187998834.db2.gz IBQBGHGTRIBNLY-UHFFFAOYSA-N 0 0 211.220 3.620 10 0 BHAERN c1ccc(-c2ccnc(-c3ccccc3)n2)cc1 ZINC000015782499 183380721 /nfs/dbraw/zinc/38/07/21/183380721.db2.gz WDRUBCBSUBXPSW-UHFFFAOYSA-N 0 0 232.286 3.811 10 0 BHAERN CCc1ccc(-c2[nH]c3ccccc3c2N)cc1 ZINC000015861524 356453762 /nfs/dbraw/zinc/45/37/62/356453762.db2.gz IHLIYCHUCLLLGS-UHFFFAOYSA-N 0 0 236.318 3.980 10 0 BHAERN Nc1ccc(-c2nc(-c3ccccc3)co2)cc1 ZINC000015869017 342902382 /nfs/dbraw/zinc/90/23/82/342902382.db2.gz WKANXHNLVOKDGO-UHFFFAOYSA-N 0 0 236.274 3.591 10 0 BHAERN Nc1cc2c3c(oc2c(Cl)c1)CCCC3 ZINC000015937432 181683803 /nfs/dbraw/zinc/68/38/03/181683803.db2.gz NWQMZCNVMXDWCZ-UHFFFAOYSA-N 0 0 221.687 3.547 10 0 BHAERN O=C1CC2(CCCCCC2)Oc2ccccc21 ZINC000015973892 343140857 /nfs/dbraw/zinc/14/08/57/343140857.db2.gz XPGVUFUWPUAQAO-UHFFFAOYSA-N 0 0 230.307 3.745 10 0 BHAERN Clc1cccc(N2CCCC2)c1Cl ZINC000016124177 385397470 /nfs/dbraw/zinc/39/74/70/385397470.db2.gz IAZPUGZBGFSCKY-UHFFFAOYSA-N 0 0 216.111 3.594 10 0 BHAERN O=c1oc2cc(F)ccc2cc1-c1ccccc1 ZINC000016159090 342907230 /nfs/dbraw/zinc/90/72/30/342907230.db2.gz VGKAXJDLVHWSIU-UHFFFAOYSA-N 0 0 240.233 3.599 10 0 BHAERN CC(=O)N(c1ccccc1)c1ccc(C)cc1 ZINC000016292619 342800988 /nfs/dbraw/zinc/80/09/88/342800988.db2.gz VWEJEJASQMRZEJ-UHFFFAOYSA-N 0 0 225.291 3.680 10 0 BHAERN Cc1ccccc1-c1csc(C=O)c1 ZINC000016946315 179236623 /nfs/dbraw/zinc/23/66/23/179236623.db2.gz KXNPVZFSTRTECZ-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN O=Cc1cc(-c2cccc(Cl)c2)cs1 ZINC000016946328 182860553 /nfs/dbraw/zinc/86/05/53/182860553.db2.gz ZSDDEQADCWOXNP-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN c1ccc2ncc(-c3ccc4c(c3)CCN4)cc2c1 ZINC000016946504 183460100 /nfs/dbraw/zinc/46/01/00/183460100.db2.gz HVXGFECGAUXEEV-UHFFFAOYSA-N 0 0 246.313 3.870 10 0 BHAERN Oc1cccc(-c2cnc3ccccc3c2)c1 ZINC000016947006 183287741 /nfs/dbraw/zinc/28/77/41/183287741.db2.gz OZYKJEDEMXCWIR-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000016947093 178325870 /nfs/dbraw/zinc/32/58/70/178325870.db2.gz MPTSNSLZIKOMGE-UHFFFAOYSA-N 0 0 211.308 3.728 10 0 BHAERN Fc1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000016947384 342917837 /nfs/dbraw/zinc/91/78/37/342917837.db2.gz FZEPXXHITBIOIY-UHFFFAOYSA-N 0 0 211.239 3.974 10 0 BHAERN Fc1cccc(-c2ccc3[nH]ccc3c2)c1 ZINC000016947386 342917816 /nfs/dbraw/zinc/91/78/16/342917816.db2.gz OXSVCUHCUFXQHU-UHFFFAOYSA-N 0 0 211.239 3.974 10 0 BHAERN Fc1ccccc1-c1ccc2[nH]ccc2c1 ZINC000016947388 181009329 /nfs/dbraw/zinc/00/93/29/181009329.db2.gz CKHLFXRPDLTXLU-UHFFFAOYSA-N 0 0 211.239 3.974 10 0 BHAERN Nc1ccccc1-c1ccccc1Cl ZINC000016947467 487857388 /nfs/dbraw/zinc/85/73/88/487857388.db2.gz JLXPLVOQXSESCC-UHFFFAOYSA-N 0 0 203.672 3.589 10 0 BHAERN c1csc(-c2cnc3ccccc3c2)c1 ZINC000016947507 183514831 /nfs/dbraw/zinc/51/48/31/183514831.db2.gz DOSPJXNNOWZNLU-UHFFFAOYSA-N 0 0 211.289 3.963 10 0 BHAERN OCc1ccc(-c2ccc(Cl)c(F)c2)cc1 ZINC000016947697 183161665 /nfs/dbraw/zinc/16/16/65/183161665.db2.gz GHSYBEGBBQDKDS-UHFFFAOYSA-N 0 0 236.673 3.638 10 0 BHAERN Cc1ccc(-c2ccc3c(c2)CCN3)cc1 ZINC000016947911 178325538 /nfs/dbraw/zinc/32/55/38/178325538.db2.gz FLTXFKSJIWWYGB-UHFFFAOYSA-N 0 0 209.292 3.630 10 0 BHAERN Cc1ccccc1-c1ccc2c(c1)CCN2 ZINC000016947917 179236667 /nfs/dbraw/zinc/23/66/67/179236667.db2.gz HNBTZLISMYDFLN-UHFFFAOYSA-N 0 0 209.292 3.630 10 0 BHAERN COc1cccc(-c2ccccc2C(C)=O)c1 ZINC000016947926 175235643 /nfs/dbraw/zinc/23/56/43/175235643.db2.gz IFOUNFLSULVBTG-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN COc1ccccc1-c1ccccc1C(C)=O ZINC000016947965 175310254 /nfs/dbraw/zinc/31/02/54/175310254.db2.gz IUVWXUHKMBBQIU-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN Oc1ccccc1-c1cnc2ccccc2c1 ZINC000016948285 183300726 /nfs/dbraw/zinc/30/07/26/183300726.db2.gz PSXOPBDFCPFGIU-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN CC(C)[C@@H](C)NC(=O)c1cc2ccccc2s1 ZINC000017055781 367955346 /nfs/dbraw/zinc/95/53/46/367955346.db2.gz FSRLEUXMAYFESK-SNVBAGLBSA-N 0 0 247.363 3.676 10 0 BHAERN CC(C)[C@H](C)NC(=O)c1cc2ccccc2s1 ZINC000017055784 367955567 /nfs/dbraw/zinc/95/55/67/367955567.db2.gz FSRLEUXMAYFESK-JTQLQIEISA-N 0 0 247.363 3.676 10 0 BHAERN O[C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1c1ccccc1 ZINC000017104403 343392100 /nfs/dbraw/zinc/39/21/00/343392100.db2.gz MBQJZAUCWNRGBR-KLHDSHLOSA-N 0 0 230.351 3.731 10 0 BHAERN C[C@@H]1CC[C@H](C(C)(C)c2ccccc2)[C@@H](O)C1 ZINC000017724583 176221833 /nfs/dbraw/zinc/22/18/33/176221833.db2.gz WTQIZFCJMGWUGZ-SNPRPXQTSA-N 0 0 232.367 3.761 10 0 BHAERN COCCCCCCCCCCCCO ZINC000019046012 174176450 /nfs/dbraw/zinc/17/64/50/174176450.db2.gz DGPZDENPDKQUDW-UHFFFAOYSA-N 0 0 216.365 3.526 10 0 BHAERN CCC[C@@H](C)Nc1ccccc1OC(F)F ZINC000019231531 259378067 /nfs/dbraw/zinc/37/80/67/259378067.db2.gz MQVNPGCTEROJKM-SECBINFHSA-N 0 0 229.270 3.889 10 0 BHAERN CCC[C@H](C)Nc1ccccc1OC(F)F ZINC000019231532 259378162 /nfs/dbraw/zinc/37/81/62/259378162.db2.gz MQVNPGCTEROJKM-VIFPVBQESA-N 0 0 229.270 3.889 10 0 BHAERN Fc1cccc(NCC2CCCCC2)c1 ZINC000019233053 187825184 /nfs/dbraw/zinc/82/51/84/187825184.db2.gz NOTARPUCNCKWIB-UHFFFAOYSA-N 0 0 207.292 3.818 10 0 BHAERN Clc1ccccc1NCCc1ccccc1 ZINC000019233302 180596365 /nfs/dbraw/zinc/59/63/65/180596365.db2.gz XZMOCVBYOPUEOR-UHFFFAOYSA-N 0 0 231.726 3.995 10 0 BHAERN CC(C)C[C@@H](C)Nc1cc(F)cc(F)c1 ZINC000019233395 259385103 /nfs/dbraw/zinc/38/51/03/259385103.db2.gz LVGOLEQZQBAUBM-SECBINFHSA-N 0 0 213.271 3.811 10 0 BHAERN CC(C)C[C@H](C)Nc1cc(F)cc(F)c1 ZINC000019233396 259385192 /nfs/dbraw/zinc/38/51/92/259385192.db2.gz LVGOLEQZQBAUBM-VIFPVBQESA-N 0 0 213.271 3.811 10 0 BHAERN CCC(C)(C)C1CCC(n2nccc2N)CC1 ZINC000019256741 168270627 /nfs/dbraw/zinc/27/06/27/168270627.db2.gz UBFHCLBVCADCSW-UHFFFAOYSA-N 0 0 235.375 3.633 10 0 BHAERN Cc1cc(Cl)ccc1OCc1ccccc1N ZINC000019263106 178070185 /nfs/dbraw/zinc/07/01/85/178070185.db2.gz IUHHWYYZZJHHAY-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN CC[C@H]1CCCC[C@H]1OCc1ccccc1N ZINC000019264676 171612631 /nfs/dbraw/zinc/61/26/31/171612631.db2.gz RYDQLSQVEWHZKK-SWLSCSKDSA-N 0 0 233.355 3.754 10 0 BHAERN C[C@@H](OCc1cccc(N)c1)c1ccccc1 ZINC000019265711 176002993 /nfs/dbraw/zinc/00/29/93/176002993.db2.gz CDOZPAMAKIOPNI-GFCCVEGCSA-N 0 0 227.307 3.547 10 0 BHAERN C[C@H](OCc1cccc(N)c1)c1ccccc1 ZINC000019265713 177021804 /nfs/dbraw/zinc/02/18/04/177021804.db2.gz CDOZPAMAKIOPNI-LBPRGKRZSA-N 0 0 227.307 3.547 10 0 BHAERN C[C@@H](OCc1ccccc1N)c1ccccc1 ZINC000019266780 176003086 /nfs/dbraw/zinc/00/30/86/176003086.db2.gz XRMAQZGKUXPPSS-GFCCVEGCSA-N 0 0 227.307 3.547 10 0 BHAERN C[C@H](OCc1ccccc1N)c1ccccc1 ZINC000019266782 177021845 /nfs/dbraw/zinc/02/18/45/177021845.db2.gz XRMAQZGKUXPPSS-LBPRGKRZSA-N 0 0 227.307 3.547 10 0 BHAERN CC(C)N(Cc1ccccc1)c1ccccc1N ZINC000019268648 187251502 /nfs/dbraw/zinc/25/15/02/187251502.db2.gz CUTYHGLXOIBQQI-UHFFFAOYSA-N 0 0 240.350 3.684 10 0 BHAERN C[C@@H]1CCCC[C@@H]1OCc1ccc(Cl)nc1 ZINC000019274298 176082526 /nfs/dbraw/zinc/08/25/26/176082526.db2.gz IIJMRCVJTXHUIS-PWSUYJOCSA-N 0 0 239.746 3.830 10 0 BHAERN C[C@H]1CCCC[C@@H]1OCc1ccc(Cl)nc1 ZINC000019274301 177084586 /nfs/dbraw/zinc/08/45/86/177084586.db2.gz IIJMRCVJTXHUIS-JQWIXIFHSA-N 0 0 239.746 3.830 10 0 BHAERN C[C@@H]1CCCC[C@H]1OCc1ccc(Cl)nc1 ZINC000019274305 176089926 /nfs/dbraw/zinc/08/99/26/176089926.db2.gz IIJMRCVJTXHUIS-ZYHUDNBSSA-N 0 0 239.746 3.830 10 0 BHAERN C[C@H]1CCCC[C@H]1OCc1ccc(Cl)nc1 ZINC000019274307 177090634 /nfs/dbraw/zinc/09/06/34/177090634.db2.gz IIJMRCVJTXHUIS-CMPLNLGQSA-N 0 0 239.746 3.830 10 0 BHAERN Nc1cccc(OCc2cccc(Cl)c2)c1 ZINC000019280040 343141482 /nfs/dbraw/zinc/14/14/82/343141482.db2.gz BKWZXNKDQBIYEW-UHFFFAOYSA-N 0 0 233.698 3.501 10 0 BHAERN Cc1cc(OCc2ccc(Cl)cc2)ccc1N ZINC000019280722 178212723 /nfs/dbraw/zinc/21/27/23/178212723.db2.gz ZFCLMPNQXOYDMB-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN Cc1cc(OCc2ccccc2Cl)ccc1N ZINC000019386673 178213219 /nfs/dbraw/zinc/21/32/19/178213219.db2.gz VTSNOBRSBWCNOF-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN CC[C@H]1CCCC[C@H]1OCc1cccc(N)c1 ZINC000019389666 171612876 /nfs/dbraw/zinc/61/28/76/171612876.db2.gz WRUZNYWWTNLECH-DZGCQCFKSA-N 0 0 233.355 3.754 10 0 BHAERN CC(C)COC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000019400811 187251736 /nfs/dbraw/zinc/25/17/36/187251736.db2.gz PFKRJAAGLOAFPX-MRXNPFEDSA-N 0 0 243.350 3.512 10 0 BHAERN CC1CCC(OCc2ccc(Cl)nc2)CC1 ZINC000019401962 168168464 /nfs/dbraw/zinc/16/84/64/168168464.db2.gz VNJLADOPOGYOAW-UHFFFAOYSA-N 0 0 239.746 3.830 10 0 BHAERN Nc1cccc(NC(=O)CCC2CCCCC2)c1 ZINC000019405349 181745881 /nfs/dbraw/zinc/74/58/81/181745881.db2.gz RXINHSWPUSMEMN-UHFFFAOYSA-N 0 0 246.354 3.568 10 0 BHAERN CC(C)C[C@@H](C)OCc1ccc(Cl)nc1 ZINC000019407100 188002649 /nfs/dbraw/zinc/00/26/49/188002649.db2.gz DABNOYNESDQHTM-SNVBAGLBSA-N 0 0 227.735 3.686 10 0 BHAERN CC(C)C[C@H](C)OCc1ccc(Cl)nc1 ZINC000019407102 188349712 /nfs/dbraw/zinc/34/97/12/188349712.db2.gz DABNOYNESDQHTM-JTQLQIEISA-N 0 0 227.735 3.686 10 0 BHAERN Nc1cc(F)ccc1-c1nc2ccccc2s1 ZINC000019426649 181687391 /nfs/dbraw/zinc/68/73/91/181687391.db2.gz NMGBNHRCESKJJV-UHFFFAOYSA-N 0 0 244.294 3.685 10 0 BHAERN COc1cccc(CSc2ccccc2N)c1 ZINC000019471507 175270221 /nfs/dbraw/zinc/27/02/21/175270221.db2.gz VWGWBWXANAODCM-UHFFFAOYSA-N 0 0 245.347 3.570 10 0 BHAERN COc1ccc(CSc2ccccc2N)cc1 ZINC000019480091 175115112 /nfs/dbraw/zinc/11/51/12/175115112.db2.gz RRXXUNAAMIXQAP-UHFFFAOYSA-N 0 0 245.347 3.570 10 0 BHAERN Cc1ccccc1CSc1ccccc1N ZINC000019514763 179286906 /nfs/dbraw/zinc/28/69/06/179286906.db2.gz BZCKHVIRRBPNQL-UHFFFAOYSA-N 0 0 229.348 3.870 10 0 BHAERN CCOC(=O)c1ccc(-c2ccc(F)cc2)cc1 ZINC000019615537 170294584 /nfs/dbraw/zinc/29/45/84/170294584.db2.gz MRIRSYFQTAWHGY-UHFFFAOYSA-N 0 0 244.265 3.669 10 0 BHAERN CCCCCCc1cc2ccccc2nc1N ZINC000019721376 342954597 /nfs/dbraw/zinc/95/45/97/342954597.db2.gz JCUYAUGYUSLXCI-UHFFFAOYSA-N 0 0 228.339 3.940 10 0 BHAERN CCCc1cc(Cl)c2cccc(OC)c2n1 ZINC000019721575 342954453 /nfs/dbraw/zinc/95/44/53/342954453.db2.gz LMZGOQDKTLHDQJ-UHFFFAOYSA-N 0 0 235.714 3.849 10 0 BHAERN O=Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000019723472 384488982 /nfs/dbraw/zinc/48/89/82/384488982.db2.gz FSDZFCHSVPRRMS-UHFFFAOYSA-N 0 0 240.346 3.967 10 0 BHAERN CCSc1nc(-c2cccs2)c(N)s1 ZINC000019723583 170657435 /nfs/dbraw/zinc/65/74/35/170657435.db2.gz PDGJFPKQEALKRH-UHFFFAOYSA-N 0 0 242.394 3.566 10 0 BHAERN CC(C)c1ccc(C(=O)C2CCC2)cc1 ZINC000019725783 188281683 /nfs/dbraw/zinc/28/16/83/188281683.db2.gz PEYIGALVHNRYFY-UHFFFAOYSA-N 0 0 202.297 3.793 10 0 BHAERN O=C(c1ccc2c(c1)CCCC2)C1CCC1 ZINC000019725785 182666282 /nfs/dbraw/zinc/66/62/82/182666282.db2.gz UNXMJKOEKPGNJW-UHFFFAOYSA-N 0 0 214.308 3.548 10 0 BHAERN CC(C)c1ccc2c(c1)C(=O)CCCC2 ZINC000019726992 343139650 /nfs/dbraw/zinc/13/96/50/343139650.db2.gz XNBNBNBLTPYBPO-UHFFFAOYSA-N 0 0 202.297 3.719 10 0 BHAERN CC(C)(C)c1ccc2c(c1)C(=O)CCCC2 ZINC000019726993 187314204 /nfs/dbraw/zinc/31/42/04/187314204.db2.gz VJEAUACEVLRBDA-UHFFFAOYSA-N 0 0 216.324 3.893 10 0 BHAERN CC1(C)CCC(=O)c2cc(Cl)ccc21 ZINC000019726997 188108109 /nfs/dbraw/zinc/10/81/09/188108109.db2.gz BQTLUJOQFOOTSQ-UHFFFAOYSA-N 0 0 208.688 3.594 10 0 BHAERN CC(C)(C)c1ccc2c(c1)[C@@H](O)CCCC2 ZINC000019727058 188281944 /nfs/dbraw/zinc/28/19/44/188281944.db2.gz XMWJTKDVCFZEOL-AWEZNQCLSA-N 0 0 218.340 3.744 10 0 BHAERN Clc1nc2ncccc2cc1-c1ccccc1 ZINC000019732061 342954913 /nfs/dbraw/zinc/95/49/13/342954913.db2.gz YLEUDVAKEWWDIM-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN CC(C)C[C@H]([NH3+])c1nc2ccccc2n1C(C)C ZINC000019734951 188369446 /nfs/dbraw/zinc/36/94/46/188369446.db2.gz LJJMTVQHNSPJGG-LBPRGKRZSA-N 0 0 245.370 3.663 10 0 BHAERN Cc1ccc2c(c1)NC[C@H](c1ccccc1)O2 ZINC000019769950 178947756 /nfs/dbraw/zinc/94/77/56/178947756.db2.gz ZNBXZNDBWBWRIN-OAHLLOKOSA-N 0 0 225.291 3.541 10 0 BHAERN Cc1ccc2c(c1)NC[C@@H](c1ccccc1)O2 ZINC000019769951 178947603 /nfs/dbraw/zinc/94/76/03/178947603.db2.gz ZNBXZNDBWBWRIN-HNNXBMFYSA-N 0 0 225.291 3.541 10 0 BHAERN Cc1ccc2c(c1)O[C@@H](c1ccccc1)CN2 ZINC000019769953 178948532 /nfs/dbraw/zinc/94/85/32/178948532.db2.gz JUURDPACOABXNO-OAHLLOKOSA-N 0 0 225.291 3.541 10 0 BHAERN COc1ccc(OC)c(NC2CCC(C)CC2)c1 ZINC000019772378 175167065 /nfs/dbraw/zinc/16/70/65/175167065.db2.gz BXMCZYWGZUKHOU-UHFFFAOYSA-N 0 0 249.354 3.694 10 0 BHAERN Cc1ccccc1CSc1ccc(N)cc1 ZINC000019787576 179287611 /nfs/dbraw/zinc/28/76/11/179287611.db2.gz YZRHBCRWPYJTDS-UHFFFAOYSA-N 0 0 229.348 3.870 10 0 BHAERN Nc1ccc(SCc2cccc(F)c2)cc1 ZINC000019787578 188281570 /nfs/dbraw/zinc/28/15/70/188281570.db2.gz JUBPYLWZDJFJLH-UHFFFAOYSA-N 0 0 233.311 3.700 10 0 BHAERN CC(C)(C)c1ccc(N)cc1C(C)(C)C ZINC000019801622 188003492 /nfs/dbraw/zinc/00/34/92/188003492.db2.gz KABORQDBFVSHBI-UHFFFAOYSA-N 0 0 205.345 3.864 10 0 BHAERN c1ccc(-c2cccc3c2NCCC3)cc1 ZINC000019802984 183380700 /nfs/dbraw/zinc/38/07/00/183380700.db2.gz PYQFOHJZRJICKP-UHFFFAOYSA-N 0 0 209.292 3.712 10 0 BHAERN c1ccc(Cc2cccc3c2NCCC3)cc1 ZINC000019802985 183410201 /nfs/dbraw/zinc/41/02/01/183410201.db2.gz GXFZIIBURXCXRH-UHFFFAOYSA-N 0 0 223.319 3.636 10 0 BHAERN FC(F)(F)c1ccc(Cl)c2c1CCCN2 ZINC000019802988 538928275 /nfs/dbraw/zinc/92/82/75/538928275.db2.gz OPYYHLGRMQWIAK-UHFFFAOYSA-N 0 0 235.636 3.717 10 0 BHAERN c1ccc(Oc2ccc3c(c2)CCCN3)cc1 ZINC000019802990 188281372 /nfs/dbraw/zinc/28/13/72/188281372.db2.gz YIBMZGOTIUSWNS-UHFFFAOYSA-N 0 0 225.291 3.837 10 0 BHAERN c1ccc(Oc2cccc3c2NCCC3)cc1 ZINC000019802993 187418077 /nfs/dbraw/zinc/41/80/77/187418077.db2.gz FXAIDXLKSYNJPZ-UHFFFAOYSA-N 0 0 225.291 3.837 10 0 BHAERN CCCCN(CC)c1c(N)cccc1Cl ZINC000019803467 168804173 /nfs/dbraw/zinc/80/41/73/168804173.db2.gz LHHQCCBOAJQUOA-UHFFFAOYSA-N 0 0 226.751 3.549 10 0 BHAERN C[C@@H]1CCc2ccccc2N1c1ccccc1N ZINC000019803468 132327170 /nfs/dbraw/zinc/32/71/70/132327170.db2.gz HEAXSSCJERRQFY-GFCCVEGCSA-N 0 0 238.334 3.742 10 0 BHAERN C[C@H]1CCc2ccccc2N1c1ccccc1N ZINC000019803469 132327184 /nfs/dbraw/zinc/32/71/84/132327184.db2.gz HEAXSSCJERRQFY-LBPRGKRZSA-N 0 0 238.334 3.742 10 0 BHAERN CCc1nc2sc(C)c(C)c2c(Cl)n1 ZINC000019803857 171994718 /nfs/dbraw/zinc/99/47/18/171994718.db2.gz FIDNDPSQZHDSGO-UHFFFAOYSA-N 0 0 226.732 3.524 10 0 BHAERN Cc1sc2nc(C3CC3)nc(Cl)c2c1C ZINC000019803858 589984772 /nfs/dbraw/zinc/98/47/72/589984772.db2.gz AAJJENAIGDMOBK-UHFFFAOYSA-N 0 0 238.743 3.839 10 0 BHAERN Cc1ccc(COc2ccc(Cl)cc2N)cc1 ZINC000019805159 188281968 /nfs/dbraw/zinc/28/19/68/188281968.db2.gz LOQYOKQVWRQGQQ-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN Cc1ccccc1COc1ccc(Cl)cc1N ZINC000019805165 179286274 /nfs/dbraw/zinc/28/62/74/179286274.db2.gz GIOGVWDRJNTPKU-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN CCC(=O)c1ccc(OCc2cccs2)cc1 ZINC000019806305 168257588 /nfs/dbraw/zinc/25/75/88/168257588.db2.gz ONVCOOXKUFCLPE-UHFFFAOYSA-N 0 0 246.331 3.920 10 0 BHAERN CCC(=O)c1ccccc1OCCC(C)C ZINC000019806355 168258688 /nfs/dbraw/zinc/25/86/88/168258688.db2.gz WLYINRXLUSBERP-UHFFFAOYSA-N 0 0 220.312 3.704 10 0 BHAERN CCC(=O)c1ccccc1OC1CCCC1 ZINC000019806356 168258579 /nfs/dbraw/zinc/25/85/79/168258579.db2.gz UGHLXHJHVMGFAL-UHFFFAOYSA-N 0 0 218.296 3.601 10 0 BHAERN CCC(=O)c1ccccc1OCc1cccs1 ZINC000019806366 168258925 /nfs/dbraw/zinc/25/89/25/168258925.db2.gz WCPLVOXMEGNERY-UHFFFAOYSA-N 0 0 246.331 3.920 10 0 BHAERN CCCCCOc1ccccc1C(=O)CC ZINC000019806369 168730713 /nfs/dbraw/zinc/73/07/13/168730713.db2.gz CJWDRQTYPSWDJD-UHFFFAOYSA-N 0 0 220.312 3.848 10 0 BHAERN CCC(=O)c1ccccc1OCc1ccccc1 ZINC000019806376 168259756 /nfs/dbraw/zinc/25/97/56/168259756.db2.gz INWKLOGQJIIYJV-UHFFFAOYSA-N 0 0 240.302 3.858 10 0 BHAERN CCc1ccc(COc2ccc(N)c(C)c2)s1 ZINC000019806450 171814438 /nfs/dbraw/zinc/81/44/38/171814438.db2.gz WEWGMQJLELRWJT-UHFFFAOYSA-N 0 0 247.363 3.780 10 0 BHAERN Cc1ccc(-c2nc3cc(N)ccc3o2)cc1F ZINC000019806489 178336974 /nfs/dbraw/zinc/33/69/74/178336974.db2.gz WHZYKTXBLJSORH-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN CCC(=O)c1ccccc1OCC=C(C)C ZINC000019806757 168258770 /nfs/dbraw/zinc/25/87/70/168258770.db2.gz SSZLWEDCAVVQRK-UHFFFAOYSA-N 0 0 218.296 3.624 10 0 BHAERN FC(F)(F)CN[C@H]1CCCCc2ccccc21 ZINC000019807477 180883876 /nfs/dbraw/zinc/88/38/76/180883876.db2.gz WHYFUPURMPPAEJ-LBPRGKRZSA-N 0 0 243.272 3.606 10 0 BHAERN Cc1ccc([C@@H](C)NCC(F)(F)F)c(C)c1 ZINC000019807515 385079654 /nfs/dbraw/zinc/07/96/54/385079654.db2.gz OUULMWKOUVBOFW-SNVBAGLBSA-N 0 0 231.261 3.516 10 0 BHAERN Cc1ccc([C@H](C)NCC(F)(F)F)c(C)c1 ZINC000019807516 385077714 /nfs/dbraw/zinc/07/77/14/385077714.db2.gz OUULMWKOUVBOFW-JTQLQIEISA-N 0 0 231.261 3.516 10 0 BHAERN C[C@H](NCC(F)(F)F)c1cccc(Cl)c1 ZINC000019807540 384541495 /nfs/dbraw/zinc/54/14/95/384541495.db2.gz OSELGSBILRFADZ-ZETCQYMHSA-N 0 0 237.652 3.553 10 0 BHAERN Cc1ccc([C@@H](C)NCC(F)(F)F)cc1C ZINC000019807552 347287570 /nfs/dbraw/zinc/28/75/70/347287570.db2.gz VJNVGTSTCRULQC-SNVBAGLBSA-N 0 0 231.261 3.516 10 0 BHAERN Cc1ccc([C@H](C)NCC(F)(F)F)cc1C ZINC000019807553 187252697 /nfs/dbraw/zinc/25/26/97/187252697.db2.gz VJNVGTSTCRULQC-JTQLQIEISA-N 0 0 231.261 3.516 10 0 BHAERN Nc1ccccc1SCCCc1ccccc1 ZINC000019809519 181757891 /nfs/dbraw/zinc/75/78/91/181757891.db2.gz KALNMCQKNARLRJ-UHFFFAOYSA-N 0 0 243.375 3.994 10 0 BHAERN Cc1cc(OCc2ccccc2N)ccc1Cl ZINC000019812832 178213657 /nfs/dbraw/zinc/21/36/57/178213657.db2.gz JPPQXLMVUDPEGQ-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN CC(C)=CCSc1ccc(Cl)cc1N ZINC000019815365 187252440 /nfs/dbraw/zinc/25/24/40/187252440.db2.gz NQTXQNNMKLEQMQ-UHFFFAOYSA-N 0 0 227.760 3.981 10 0 BHAERN Nc1cc(Cl)ccc1SC1CCCC1 ZINC000019815385 181684996 /nfs/dbraw/zinc/68/49/96/181684996.db2.gz YJXNNWYJCZPUEZ-UHFFFAOYSA-N 0 0 227.760 3.957 10 0 BHAERN Nc1ccccc1-c1cc2ccccc2o1 ZINC000019844376 589999888 /nfs/dbraw/zinc/99/98/88/589999888.db2.gz CCSZWXCDFTUDDB-UHFFFAOYSA-N 0 0 209.248 3.682 10 0 BHAERN Nc1ccc(Sc2ccccc2F)cc1 ZINC000019845542 181725533 /nfs/dbraw/zinc/72/55/33/181725533.db2.gz FWQQHPFWKAIYKC-UHFFFAOYSA-N 0 0 219.284 3.559 10 0 BHAERN Nc1ccccc1Sc1ccccc1F ZINC000019845545 181758472 /nfs/dbraw/zinc/75/84/72/181758472.db2.gz QBPBZFZMIDECFC-UHFFFAOYSA-N 0 0 219.284 3.559 10 0 BHAERN Nc1ccccc1Sc1ccc(F)cc1 ZINC000019845568 181758333 /nfs/dbraw/zinc/75/83/33/181758333.db2.gz PVQSNTZPQXXQRN-UHFFFAOYSA-N 0 0 219.284 3.559 10 0 BHAERN Nc1ccc(Sc2nc3ccccc3o2)cc1 ZINC000019845663 181725153 /nfs/dbraw/zinc/72/51/53/181725153.db2.gz GBFPAUYIIARRDK-UHFFFAOYSA-N 0 0 242.303 3.561 10 0 BHAERN CCCOc1ccccc1Oc1ccccc1N ZINC000019845765 169327561 /nfs/dbraw/zinc/32/75/61/169327561.db2.gz WRZUHXRRMKMFCA-UHFFFAOYSA-N 0 0 243.306 3.850 10 0 BHAERN CC1CCC(Oc2ccc(N)cc2Cl)CC1 ZINC000019845780 187252601 /nfs/dbraw/zinc/25/26/01/187252601.db2.gz YBPDBSKQWSHKEV-UHFFFAOYSA-N 0 0 239.746 3.880 10 0 BHAERN CC1CCC(Oc2c(N)cccc2Cl)CC1 ZINC000019845782 168168264 /nfs/dbraw/zinc/16/82/64/168168264.db2.gz UIZJVFYSBWFKLY-UHFFFAOYSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Oc1ccc(N)cc1Cl ZINC000019845801 176082275 /nfs/dbraw/zinc/08/22/75/176082275.db2.gz FDKDNIBJLPONSB-SKDRFNHKSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@H]1CCCC[C@@H]1Oc1ccc(N)cc1Cl ZINC000019845802 177084024 /nfs/dbraw/zinc/08/40/24/177084024.db2.gz FDKDNIBJLPONSB-CABZTGNLSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@@H]1CCCC[C@H]1Oc1ccc(N)cc1Cl ZINC000019845803 176089988 /nfs/dbraw/zinc/08/99/88/176089988.db2.gz FDKDNIBJLPONSB-BXKDBHETSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@H]1CCCC[C@H]1Oc1ccc(N)cc1Cl ZINC000019845804 177090265 /nfs/dbraw/zinc/09/02/65/177090265.db2.gz FDKDNIBJLPONSB-JOYOIKCWSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Oc1c(N)cccc1Cl ZINC000019845809 176082897 /nfs/dbraw/zinc/08/28/97/176082897.db2.gz NWHFZMGJSSDFMC-SKDRFNHKSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@H]1CCCC[C@@H]1Oc1c(N)cccc1Cl ZINC000019845810 177084441 /nfs/dbraw/zinc/08/44/41/177084441.db2.gz NWHFZMGJSSDFMC-CABZTGNLSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@@H]1CCCC[C@H]1Oc1c(N)cccc1Cl ZINC000019845811 176090224 /nfs/dbraw/zinc/09/02/24/176090224.db2.gz NWHFZMGJSSDFMC-BXKDBHETSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@H]1CCCC[C@H]1Oc1c(N)cccc1Cl ZINC000019845812 177090800 /nfs/dbraw/zinc/09/08/00/177090800.db2.gz NWHFZMGJSSDFMC-JOYOIKCWSA-N 0 0 239.746 3.880 10 0 BHAERN CC(C)C[C@@H](C)Oc1ccc(Cl)cc1N ZINC000019845836 188004906 /nfs/dbraw/zinc/00/49/06/188004906.db2.gz JTLTZUUXUZIOSP-SECBINFHSA-N 0 0 227.735 3.736 10 0 BHAERN CC(C)C[C@@H](C)Oc1ccc(N)cc1Cl ZINC000019845842 188350904 /nfs/dbraw/zinc/35/09/04/188350904.db2.gz BBLGEGOPTAGXIO-SECBINFHSA-N 0 0 227.735 3.736 10 0 BHAERN CC(C)C[C@@H](C)Oc1c(N)cccc1Cl ZINC000019845846 188350537 /nfs/dbraw/zinc/35/05/37/188350537.db2.gz LVVSBZUKQSSTSB-SECBINFHSA-N 0 0 227.735 3.736 10 0 BHAERN CCc1cccc(Oc2ccccc2N)c1 ZINC000019845910 171867069 /nfs/dbraw/zinc/86/70/69/171867069.db2.gz SCTBWLNXKGJKPH-UHFFFAOYSA-N 0 0 213.280 3.624 10 0 BHAERN Nc1ccccc1CSc1ccccc1 ZINC000019845937 181754777 /nfs/dbraw/zinc/75/47/77/181754777.db2.gz QZOGKGSZSKMLIP-UHFFFAOYSA-N 0 0 215.321 3.561 10 0 BHAERN Nc1ccccc1CSc1ccccc1F ZINC000019846229 181754666 /nfs/dbraw/zinc/75/46/66/181754666.db2.gz RUCKLHUYLURMBX-UHFFFAOYSA-N 0 0 233.311 3.700 10 0 BHAERN COc1cccc(SCc2ccccc2N)c1 ZINC000019846253 175285377 /nfs/dbraw/zinc/28/53/77/175285377.db2.gz FQZXOYJGBAXEHN-UHFFFAOYSA-N 0 0 245.347 3.570 10 0 BHAERN COc1ccc(SCc2ccccc2N)cc1 ZINC000019846318 175175534 /nfs/dbraw/zinc/17/55/34/175175534.db2.gz DZWWGSUAMBPBLU-UHFFFAOYSA-N 0 0 245.347 3.570 10 0 BHAERN C[C@@H](Oc1ccc(F)cc1N)c1ccccc1 ZINC000019869290 176004833 /nfs/dbraw/zinc/00/48/33/176004833.db2.gz HXLBRJIMHYMZMA-SNVBAGLBSA-N 0 0 231.270 3.548 10 0 BHAERN C[C@H](Oc1ccc(F)cc1N)c1ccccc1 ZINC000019869291 177023266 /nfs/dbraw/zinc/02/32/66/177023266.db2.gz HXLBRJIMHYMZMA-JTQLQIEISA-N 0 0 231.270 3.548 10 0 BHAERN Nc1cc(F)ccc1Sc1ccccc1 ZINC000019869327 181688463 /nfs/dbraw/zinc/68/84/63/181688463.db2.gz KKBOAEOPDADJHC-UHFFFAOYSA-N 0 0 219.284 3.559 10 0 BHAERN COc1cccc(Sc2ccc(F)cc2N)c1 ZINC000019869352 175285526 /nfs/dbraw/zinc/28/55/26/175285526.db2.gz ZATZJHAVPPLXLA-UHFFFAOYSA-N 0 0 249.310 3.568 10 0 BHAERN CC[C@H](C)SCc1ccc(Cl)nc1 ZINC000019869595 171356772 /nfs/dbraw/zinc/35/67/72/171356772.db2.gz PGZLAOIRMAKCHZ-QMMMGPOBSA-N 0 0 215.749 3.767 10 0 BHAERN CC(C)(C)SCc1ccc(Cl)nc1 ZINC000019869597 166691050 /nfs/dbraw/zinc/69/10/50/166691050.db2.gz AKLVLRGPMMVTHB-UHFFFAOYSA-N 0 0 215.749 3.767 10 0 BHAERN CC[C@H](C)Sc1ccc(Cl)cc1N ZINC000019869616 171357108 /nfs/dbraw/zinc/35/71/08/171357108.db2.gz LKVMMMPTTOVXRT-ZETCQYMHSA-N 0 0 215.749 3.813 10 0 BHAERN CC[C@H](C)Sc1c(N)cccc1Cl ZINC000019869626 171357206 /nfs/dbraw/zinc/35/72/06/171357206.db2.gz BJVDNAWCDHEVKU-ZETCQYMHSA-N 0 0 215.749 3.813 10 0 BHAERN CCCSc1ccc(C(F)(F)F)cc1N ZINC000019869662 169341404 /nfs/dbraw/zinc/34/14/04/169341404.db2.gz NNQDIYJMRJTOFM-UHFFFAOYSA-N 0 0 235.274 3.790 10 0 BHAERN CCCSc1ccc(N)c(C(F)(F)F)c1 ZINC000019869664 169341019 /nfs/dbraw/zinc/34/10/19/169341019.db2.gz LNJTWAFOMNBPEN-UHFFFAOYSA-N 0 0 235.274 3.790 10 0 BHAERN CCCSc1ccc(Br)cc1N ZINC000019869666 169341520 /nfs/dbraw/zinc/34/15/20/169341520.db2.gz UMHNMOFNKQZRIM-UHFFFAOYSA-N 0 0 246.173 3.533 10 0 BHAERN CC(=O)c1ccc(N(C)c2ccccc2)cc1 ZINC000019870979 166462577 /nfs/dbraw/zinc/46/25/77/166462577.db2.gz FPILXYDYRFXARL-UHFFFAOYSA-N 0 0 225.291 3.657 10 0 BHAERN CC(=O)c1c(F)cccc1N(C)c1ccccc1 ZINC000019870980 166434740 /nfs/dbraw/zinc/43/47/40/166434740.db2.gz XNRXZTCUBBCEPW-UHFFFAOYSA-N 0 0 243.281 3.796 10 0 BHAERN CCCN(CCC)c1ccc(C(C)=O)cc1F ZINC000019871028 169152134 /nfs/dbraw/zinc/15/21/34/169152134.db2.gz HMPACVSEKMKYOY-UHFFFAOYSA-N 0 0 237.318 3.655 10 0 BHAERN CCCN(CCC)c1ccc(F)cc1C(C)=O ZINC000019871029 169152844 /nfs/dbraw/zinc/15/28/44/169152844.db2.gz BFTLZIXJCPZOJZ-UHFFFAOYSA-N 0 0 237.318 3.655 10 0 BHAERN CCCN(CCC)c1ccc(C(C)=O)cc1 ZINC000019871030 169152834 /nfs/dbraw/zinc/15/28/34/169152834.db2.gz IUTQXTFMHZCTEH-UHFFFAOYSA-N 0 0 219.328 3.516 10 0 BHAERN CCCN(CCC)c1cccc(F)c1C(C)=O ZINC000019871031 169153675 /nfs/dbraw/zinc/15/36/75/169153675.db2.gz PXOIZEXDJYPQMM-UHFFFAOYSA-N 0 0 237.318 3.655 10 0 BHAERN CCCN(CCC)c1ccccc1C(C)=O ZINC000019871032 169153327 /nfs/dbraw/zinc/15/33/27/169153327.db2.gz BFSOENBUURUMNU-UHFFFAOYSA-N 0 0 219.328 3.516 10 0 BHAERN CCCCN(CC)c1ccc(C(C)=O)cc1F ZINC000019871061 168804102 /nfs/dbraw/zinc/80/41/02/168804102.db2.gz WJJJPWVZPFIKGS-UHFFFAOYSA-N 0 0 237.318 3.655 10 0 BHAERN CCCCN(CC)c1ccc(C(C)=O)cc1 ZINC000019871063 168803879 /nfs/dbraw/zinc/80/38/79/168803879.db2.gz NWBDALIZLQLADG-UHFFFAOYSA-N 0 0 219.328 3.516 10 0 BHAERN CCCCN(CC)c1ccccc1C(C)=O ZINC000019871065 168803565 /nfs/dbraw/zinc/80/35/65/168803565.db2.gz MGYFSJOKBKQXEL-UHFFFAOYSA-N 0 0 219.328 3.516 10 0 BHAERN CC(=O)c1ccccc1N1CCc2ccccc21 ZINC000019871100 166481448 /nfs/dbraw/zinc/48/14/48/166481448.db2.gz MJIHSDWWPOFVAC-UHFFFAOYSA-N 0 0 237.302 3.583 10 0 BHAERN CC(=O)c1ccccc1O[C@H]1CCCC[C@@H]1C ZINC000019871279 166483606 /nfs/dbraw/zinc/48/36/06/166483606.db2.gz JAPXEDJNBZQSKJ-FZMZJTMJSA-N 0 0 232.323 3.847 10 0 BHAERN CC(=O)c1c(F)cccc1O[C@H](C)CC(C)C ZINC000019871355 166435852 /nfs/dbraw/zinc/43/58/52/166435852.db2.gz CCTODKXOEYNELS-SNVBAGLBSA-N 0 0 238.302 3.842 10 0 BHAERN COc1cccc(Oc2ccc(C(C)=O)cc2)c1 ZINC000019871471 175284898 /nfs/dbraw/zinc/28/48/98/175284898.db2.gz MCUKBEHWHRIHMC-UHFFFAOYSA-N 0 0 242.274 3.690 10 0 BHAERN COc1cccc(Oc2ccccc2C(C)=O)c1 ZINC000019871475 175284906 /nfs/dbraw/zinc/28/49/06/175284906.db2.gz FKNONJSKNJQAJB-UHFFFAOYSA-N 0 0 242.274 3.690 10 0 BHAERN CC(=O)c1ccccc1Oc1ccccc1C ZINC000019871521 166484752 /nfs/dbraw/zinc/48/47/52/166484752.db2.gz KKXDYOUUZHVTHA-UHFFFAOYSA-N 0 0 226.275 3.990 10 0 BHAERN CC(=O)c1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000019871523 384544918 /nfs/dbraw/zinc/54/49/18/384544918.db2.gz KYKHCYUERQYECX-UHFFFAOYSA-N 0 0 248.228 3.960 10 0 BHAERN COc1ccccc1Oc1ccc(C(C)=O)cc1 ZINC000019871554 175342639 /nfs/dbraw/zinc/34/26/39/175342639.db2.gz HJBPRODEIKXWNX-UHFFFAOYSA-N 0 0 242.274 3.690 10 0 BHAERN COc1ccc(Oc2ccccc2C(C)=O)cc1 ZINC000019871565 175173897 /nfs/dbraw/zinc/17/38/97/175173897.db2.gz BHFCZWCMNWQNMR-UHFFFAOYSA-N 0 0 242.274 3.690 10 0 BHAERN CC[C@H](C)Sc1ccc(C(C)=O)cc1F ZINC000019871630 171356978 /nfs/dbraw/zinc/35/69/78/171356978.db2.gz VRUFMKLITLMJHN-QMMMGPOBSA-N 0 0 226.316 3.919 10 0 BHAERN CC[C@H](C)Sc1ccc(F)cc1C(C)=O ZINC000019871634 171357015 /nfs/dbraw/zinc/35/70/15/171357015.db2.gz WTTBIFBTEYSNMO-QMMMGPOBSA-N 0 0 226.316 3.919 10 0 BHAERN CC[C@H](C)Sc1ccc(C(C)=O)cc1 ZINC000019871638 171357305 /nfs/dbraw/zinc/35/73/05/171357305.db2.gz KQYUXNCKQZWFHC-VIFPVBQESA-N 0 0 208.326 3.780 10 0 BHAERN CC[C@H](C)Sc1cccc(F)c1C(C)=O ZINC000019871643 171357431 /nfs/dbraw/zinc/35/74/31/171357431.db2.gz BBWPMYBUJYXFPF-QMMMGPOBSA-N 0 0 226.316 3.919 10 0 BHAERN CC[C@H](C)Sc1ccccc1C(C)=O ZINC000019871647 171357429 /nfs/dbraw/zinc/35/74/29/171357429.db2.gz OHZYYYAPAQQEBX-VIFPVBQESA-N 0 0 208.326 3.780 10 0 BHAERN CCCSc1ccc(C(C)=O)cc1F ZINC000019871665 169341105 /nfs/dbraw/zinc/34/11/05/169341105.db2.gz LMOKGHNDYCDJDM-UHFFFAOYSA-N 0 0 212.289 3.530 10 0 BHAERN CCCSc1cccc(F)c1C(C)=O ZINC000019871669 169341010 /nfs/dbraw/zinc/34/10/10/169341010.db2.gz VGSGBDKDAPCFJF-UHFFFAOYSA-N 0 0 212.289 3.530 10 0 BHAERN CC(=O)c1ccc(Sc2ccccn2)c(F)c1 ZINC000019871786 384544566 /nfs/dbraw/zinc/54/45/66/384544566.db2.gz XZUTUFROMZRPQK-UHFFFAOYSA-N 0 0 247.294 3.575 10 0 BHAERN CC(=O)c1c(F)cccc1Sc1ccccn1 ZINC000019871792 166435563 /nfs/dbraw/zinc/43/55/63/166435563.db2.gz NYOJMCYMVBHQHL-UHFFFAOYSA-N 0 0 247.294 3.575 10 0 BHAERN CC(=O)c1ccccc1Sc1nc(C)cs1 ZINC000019871874 166484467 /nfs/dbraw/zinc/48/44/67/166484467.db2.gz JZQVGLQMSLPDGY-UHFFFAOYSA-N 0 0 249.360 3.805 10 0 BHAERN Cc1cccc(N[C@H](C)c2ccc(O)cc2)c1 ZINC000019877100 179156362 /nfs/dbraw/zinc/15/63/62/179156362.db2.gz YSVAGBKQEPBRGF-GFCCVEGCSA-N 0 0 227.307 3.874 10 0 BHAERN Cc1cccc(N[C@@H](C)c2ccc(O)cc2)c1 ZINC000019877101 179153580 /nfs/dbraw/zinc/15/35/80/179153580.db2.gz YSVAGBKQEPBRGF-LBPRGKRZSA-N 0 0 227.307 3.874 10 0 BHAERN Cc1cccc(N[C@@H]2CCOc3ccccc32)c1 ZINC000019877329 179155365 /nfs/dbraw/zinc/15/53/65/179155365.db2.gz BSXFETQXKMBVAH-OAHLLOKOSA-N 0 0 239.318 3.931 10 0 BHAERN Cc1cccc(N[C@H]2CCOc3ccccc32)c1 ZINC000019877331 179157819 /nfs/dbraw/zinc/15/78/19/179157819.db2.gz BSXFETQXKMBVAH-HNNXBMFYSA-N 0 0 239.318 3.931 10 0 BHAERN [S-]c1ccccc1Oc1ccccc1 ZINC000019877880 343611710 /nfs/dbraw/zinc/61/17/10/343611710.db2.gz RPJXNVMFIISETE-UHFFFAOYSA-N 0 0 202.278 3.768 10 0 BHAERN C[C@@H](Nc1ccccc1)c1ccc(O)cc1 ZINC000019879304 175933850 /nfs/dbraw/zinc/93/38/50/175933850.db2.gz KGJNIATUAWYJEE-LLVKDONJSA-N 0 0 213.280 3.565 10 0 BHAERN C[C@H](Nc1ccccc1)c1ccc(O)cc1 ZINC000019879306 176936570 /nfs/dbraw/zinc/93/65/70/176936570.db2.gz KGJNIATUAWYJEE-NSHDSACASA-N 0 0 213.280 3.565 10 0 BHAERN COc1ccccc1[C@@H](C)Nc1ccccc1 ZINC000019879316 175345726 /nfs/dbraw/zinc/34/57/26/175345726.db2.gz YCEPQNIWKRDVHQ-GFCCVEGCSA-N 0 0 227.307 3.868 10 0 BHAERN COc1ccccc1[C@H](C)Nc1ccccc1 ZINC000019879318 175351786 /nfs/dbraw/zinc/35/17/86/175351786.db2.gz YCEPQNIWKRDVHQ-LBPRGKRZSA-N 0 0 227.307 3.868 10 0 BHAERN C[C@@H](Nc1ccccc1)c1ccc(F)cc1 ZINC000019879342 175934077 /nfs/dbraw/zinc/93/40/77/175934077.db2.gz AVWCSTBRNXWYSC-LLVKDONJSA-N 0 0 215.271 3.999 10 0 BHAERN C[C@H](Nc1ccccc1)c1ccc(F)cc1 ZINC000019879343 176936855 /nfs/dbraw/zinc/93/68/55/176936855.db2.gz AVWCSTBRNXWYSC-NSHDSACASA-N 0 0 215.271 3.999 10 0 BHAERN COc1ccc([C@@H](C)Nc2ccccc2)cc1 ZINC000019879361 175177572 /nfs/dbraw/zinc/17/75/72/175177572.db2.gz QSEJXHGBIMKOLT-GFCCVEGCSA-N 0 0 227.307 3.868 10 0 BHAERN COc1ccc([C@H](C)Nc2ccccc2)cc1 ZINC000019879363 175190189 /nfs/dbraw/zinc/19/01/89/175190189.db2.gz QSEJXHGBIMKOLT-LBPRGKRZSA-N 0 0 227.307 3.868 10 0 BHAERN c1ccc(N[C@@H]2CCc3ccccc32)cc1 ZINC000019879366 385160359 /nfs/dbraw/zinc/16/03/59/385160359.db2.gz BVANXEJOURFWSG-OAHLLOKOSA-N 0 0 209.292 3.786 10 0 BHAERN c1ccc(N[C@H]2CCc3ccccc32)cc1 ZINC000019879369 183417487 /nfs/dbraw/zinc/41/74/87/183417487.db2.gz BVANXEJOURFWSG-HNNXBMFYSA-N 0 0 209.292 3.786 10 0 BHAERN COc1cccc([C@@H](C)Nc2ccccc2)c1 ZINC000019879379 175287980 /nfs/dbraw/zinc/28/79/80/175287980.db2.gz BDEPWMPPMABMRD-GFCCVEGCSA-N 0 0 227.307 3.868 10 0 BHAERN COc1cccc([C@H](C)Nc2ccccc2)c1 ZINC000019879383 175294050 /nfs/dbraw/zinc/29/40/50/175294050.db2.gz BDEPWMPPMABMRD-LBPRGKRZSA-N 0 0 227.307 3.868 10 0 BHAERN COc1cc([C@@H](C)Nc2ccccc2)ccc1O ZINC000019879492 175014588 /nfs/dbraw/zinc/01/45/88/175014588.db2.gz JATWQEISQBIFIV-LLVKDONJSA-N 0 0 243.306 3.574 10 0 BHAERN COc1cc([C@H](C)Nc2ccccc2)ccc1O ZINC000019879494 175015812 /nfs/dbraw/zinc/01/58/12/175015812.db2.gz JATWQEISQBIFIV-NSHDSACASA-N 0 0 243.306 3.574 10 0 BHAERN c1ccc(N[C@H]2CCOc3ccccc32)cc1 ZINC000019879663 183418438 /nfs/dbraw/zinc/41/84/38/183418438.db2.gz BXWPPTMQJJAUKJ-AWEZNQCLSA-N 0 0 225.291 3.622 10 0 BHAERN C[C@H](CCc1ccccc1)Nc1cccnc1 ZINC000019884223 176641529 /nfs/dbraw/zinc/64/15/29/176641529.db2.gz IRVVHIYQBBKKQA-CYBMUJFWSA-N 0 0 226.323 3.515 10 0 BHAERN C[C@H](Nc1cccnc1)c1ccc(Cl)cc1 ZINC000019884244 176936719 /nfs/dbraw/zinc/93/67/19/176936719.db2.gz GTGGBWVWXFDARB-JTQLQIEISA-N 0 0 232.714 3.908 10 0 BHAERN C[C@H](Nc1cccnc1)c1c(F)cccc1F ZINC000019884268 176936560 /nfs/dbraw/zinc/93/65/60/176936560.db2.gz NTBBQVZZSYMLLC-VIFPVBQESA-N 0 0 234.249 3.533 10 0 BHAERN c1ccc2c(c1)SCC[C@H]2Nc1cccnc1 ZINC000019884386 183495885 /nfs/dbraw/zinc/49/58/85/183495885.db2.gz SEIHOCCDSGTIOZ-CYBMUJFWSA-N 0 0 242.347 3.731 10 0 BHAERN c1ccc2c(c1)SCC[C@@H]2Nc1cccnc1 ZINC000019884388 183497184 /nfs/dbraw/zinc/49/71/84/183497184.db2.gz SEIHOCCDSGTIOZ-ZDUSSCGKSA-N 0 0 242.347 3.731 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1cccnc1 ZINC000019884392 179322891 /nfs/dbraw/zinc/32/28/91/179322891.db2.gz UILHILBCGCIZAD-GFCCVEGCSA-N 0 0 212.296 3.563 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1cccnc1 ZINC000019884393 179340588 /nfs/dbraw/zinc/34/05/88/179340588.db2.gz UILHILBCGCIZAD-LBPRGKRZSA-N 0 0 212.296 3.563 10 0 BHAERN C[C@@H](Nc1cccnc1)c1ccc(F)c(F)c1 ZINC000019884414 175935188 /nfs/dbraw/zinc/93/51/88/175935188.db2.gz ODHKVXZJJVUQJY-SECBINFHSA-N 0 0 234.249 3.533 10 0 BHAERN COc1ccc(C)cc1[C@@H](C)Nc1cccnc1 ZINC000019884460 175079177 /nfs/dbraw/zinc/07/91/77/175079177.db2.gz MCYFEVVSJPJDRO-GFCCVEGCSA-N 0 0 242.322 3.572 10 0 BHAERN COc1ccc(C)cc1[C@H](C)Nc1cccnc1 ZINC000019884462 175081160 /nfs/dbraw/zinc/08/11/60/175081160.db2.gz MCYFEVVSJPJDRO-LBPRGKRZSA-N 0 0 242.322 3.572 10 0 BHAERN C[C@H](Nc1cccnc1)c1cccc(Cl)c1 ZINC000019884480 176936357 /nfs/dbraw/zinc/93/63/57/176936357.db2.gz WQAGKNXXTYXKNT-JTQLQIEISA-N 0 0 232.714 3.908 10 0 BHAERN CC[C@H](C[C@@H](C)CC)Nc1cccnc1 ZINC000019884531 171296959 /nfs/dbraw/zinc/29/69/59/171296959.db2.gz BBJWCPOJCVRWMP-NWDGAFQWSA-N 0 0 206.333 3.708 10 0 BHAERN CC[C@@H](C)C[C@H](CC)Nc1cccnc1 ZINC000019884532 170854843 /nfs/dbraw/zinc/85/48/43/170854843.db2.gz BBJWCPOJCVRWMP-NEPJUHHUSA-N 0 0 206.333 3.708 10 0 BHAERN CC[C@H](C)C[C@H](CC)Nc1cccnc1 ZINC000019884534 171299012 /nfs/dbraw/zinc/29/90/12/171299012.db2.gz BBJWCPOJCVRWMP-RYUDHWBXSA-N 0 0 206.333 3.708 10 0 BHAERN Cc1ccc([C@H](C)Nc2cccnc2)s1 ZINC000019884541 178901155 /nfs/dbraw/zinc/90/11/55/178901155.db2.gz JROVGYZQUCRBQJ-JTQLQIEISA-N 0 0 218.325 3.625 10 0 BHAERN CSc1ccc([C@H](C)Nc2cccnc2)cc1 ZINC000019884581 175578665 /nfs/dbraw/zinc/57/86/65/175578665.db2.gz BVDJKVGWYXEVSZ-NSHDSACASA-N 0 0 244.363 3.977 10 0 BHAERN Clc1ccc(Cl)c(N[C@@H]2CCSC2)c1 ZINC000019900470 180581710 /nfs/dbraw/zinc/58/17/10/180581710.db2.gz USQFNOOGACRBCN-MRVPVSSYSA-N 0 0 248.178 3.911 10 0 BHAERN CSc1cccc(NCCC(C)C)c1 ZINC000019900540 175580536 /nfs/dbraw/zinc/58/05/36/175580536.db2.gz LSSUUVWGRLAVRL-UHFFFAOYSA-N 0 0 209.358 3.867 10 0 BHAERN CCCCNc1ccc(C)cc1Br ZINC000019901680 168879317 /nfs/dbraw/zinc/87/93/17/168879317.db2.gz WEIYRCFCHMICKE-UHFFFAOYSA-N 0 0 242.160 3.970 10 0 BHAERN CC[C@H](C)Nc1ccc(C)cc1Br ZINC000019901688 171349627 /nfs/dbraw/zinc/34/96/27/171349627.db2.gz JOJPRCIMKBJTAI-VIFPVBQESA-N 0 0 242.160 3.968 10 0 BHAERN COc1ccccc1N[C@@H](C)c1ccc(O)cc1 ZINC000019901840 175338724 /nfs/dbraw/zinc/33/87/24/175338724.db2.gz HTLYWYXIHWFUNV-NSHDSACASA-N 0 0 243.306 3.574 10 0 BHAERN COc1ccccc1N[C@H](C)c1ccc(O)cc1 ZINC000019901843 175338934 /nfs/dbraw/zinc/33/89/34/175338934.db2.gz HTLYWYXIHWFUNV-LLVKDONJSA-N 0 0 243.306 3.574 10 0 BHAERN COc1ccccc1N[C@@H](C)c1cccc(O)c1 ZINC000019901975 175339008 /nfs/dbraw/zinc/33/90/08/175339008.db2.gz RWAHZJVMTBOPGP-NSHDSACASA-N 0 0 243.306 3.574 10 0 BHAERN COc1ccccc1N[C@H](C)c1cccc(O)c1 ZINC000019901976 175338587 /nfs/dbraw/zinc/33/85/87/175338587.db2.gz RWAHZJVMTBOPGP-LLVKDONJSA-N 0 0 243.306 3.574 10 0 BHAERN c1ccc(CCNc2cccc3cccnc32)cc1 ZINC000019903633 183394940 /nfs/dbraw/zinc/39/49/40/183394940.db2.gz RDOFNVLCROMPCH-UHFFFAOYSA-N 0 0 248.329 3.889 10 0 BHAERN C[C@@H](Nc1cccc2cccnc21)c1cccnc1 ZINC000019903672 175933948 /nfs/dbraw/zinc/93/39/48/175933948.db2.gz DECCAXXGGZDULV-GFCCVEGCSA-N 0 0 249.317 3.803 10 0 BHAERN CCC[C@@H](C)Nc1cccc2cccnc21 ZINC000019903737 169372605 /nfs/dbraw/zinc/37/26/05/169372605.db2.gz JCCTVDVIKZCBSY-LLVKDONJSA-N 0 0 214.312 3.835 10 0 BHAERN CC[C@H](C)Nc1ccccc1C(F)(F)F ZINC000019905231 171350405 /nfs/dbraw/zinc/35/04/05/171350405.db2.gz JVBQESGKOIVQMZ-QMMMGPOBSA-N 0 0 217.234 3.916 10 0 BHAERN Clc1ccc(N[C@H]2CCSC2)c(Cl)c1 ZINC000019905530 180583338 /nfs/dbraw/zinc/58/33/38/180583338.db2.gz LJUZIMQPAQXIHH-QMMMGPOBSA-N 0 0 248.178 3.911 10 0 BHAERN CC[C@@H](C)Nc1ccc(Br)cc1C ZINC000019905656 170758798 /nfs/dbraw/zinc/75/87/98/170758798.db2.gz GPOIGYCBTUDBHG-SECBINFHSA-N 0 0 242.160 3.968 10 0 BHAERN CC[C@H](C)Nc1ccc(Br)cc1C ZINC000019905657 171349913 /nfs/dbraw/zinc/34/99/13/171349913.db2.gz GPOIGYCBTUDBHG-VIFPVBQESA-N 0 0 242.160 3.968 10 0 BHAERN CC(C)Nc1ccccc1SC(F)F ZINC000019906659 167149917 /nfs/dbraw/zinc/14/99/17/167149917.db2.gz MVELAVRSTCRHPR-UHFFFAOYSA-N 0 0 217.284 3.822 10 0 BHAERN CCCNc1ccccc1SC(F)F ZINC000019906665 169295750 /nfs/dbraw/zinc/29/57/50/169295750.db2.gz JIAHNCRCMSPAOI-UHFFFAOYSA-N 0 0 217.284 3.823 10 0 BHAERN c1ccc(CCNc2cccc3ncccc32)cc1 ZINC000019906788 183395177 /nfs/dbraw/zinc/39/51/77/183395177.db2.gz VVKBJWOEPLMYAD-UHFFFAOYSA-N 0 0 248.329 3.889 10 0 BHAERN C[C@@H](Nc1cccc2ncccc21)c1ccncc1 ZINC000019906825 175934069 /nfs/dbraw/zinc/93/40/69/175934069.db2.gz QGELDILZMRXEOU-GFCCVEGCSA-N 0 0 249.317 3.803 10 0 BHAERN CCC[C@@H](C)Nc1cccc2ncccc21 ZINC000019906894 169372204 /nfs/dbraw/zinc/37/22/04/169372204.db2.gz HQIFKAHCKSOBKD-LLVKDONJSA-N 0 0 214.312 3.835 10 0 BHAERN CC(C)c1ccccc1N[C@@H]1CCSC1 ZINC000019907188 342962735 /nfs/dbraw/zinc/96/27/35/342962735.db2.gz FMYSPUKMLXVPQD-LLVKDONJSA-N 0 0 221.369 3.727 10 0 BHAERN CC(C)c1ccccc1N[C@H]1CCSC1 ZINC000019907190 167641039 /nfs/dbraw/zinc/64/10/39/167641039.db2.gz FMYSPUKMLXVPQD-NSHDSACASA-N 0 0 221.369 3.727 10 0 BHAERN CC(C)c1ccccc1NCc1ccncc1 ZINC000019907202 342962892 /nfs/dbraw/zinc/96/28/92/342962892.db2.gz ZJWHZLZMPGUEIP-UHFFFAOYSA-N 0 0 226.323 3.817 10 0 BHAERN Fc1ccc(NCc2cccs2)c(F)c1F ZINC000019907547 180979090 /nfs/dbraw/zinc/97/90/90/180979090.db2.gz NGXGUZNHSWRKQR-UHFFFAOYSA-N 0 0 243.253 3.778 10 0 BHAERN Fc1ccc(NCc2ccsc2)c(F)c1F ZINC000019907562 180978672 /nfs/dbraw/zinc/97/86/72/180978672.db2.gz KBOIDUJRXKABEV-UHFFFAOYSA-N 0 0 243.253 3.778 10 0 BHAERN CCC(CC)Nc1ccc(F)c(F)c1F ZINC000019907626 168393484 /nfs/dbraw/zinc/39/34/84/168393484.db2.gz PENLXKNTCUFQJL-UHFFFAOYSA-N 0 0 217.234 3.704 10 0 BHAERN CC(C)[C@@H](C)Nc1ccc(F)c(F)c1F ZINC000019907655 167385571 /nfs/dbraw/zinc/38/55/71/167385571.db2.gz BNSHDXAXPCAUJX-SSDOTTSWSA-N 0 0 217.234 3.560 10 0 BHAERN CC(C)[C@H](C)Nc1ccc(F)c(F)c1F ZINC000019907656 188174482 /nfs/dbraw/zinc/17/44/82/188174482.db2.gz BNSHDXAXPCAUJX-ZETCQYMHSA-N 0 0 217.234 3.560 10 0 BHAERN CCC[C@@H](C)Nc1ccc(F)c(F)c1F ZINC000019907724 169371250 /nfs/dbraw/zinc/37/12/50/169371250.db2.gz OJNPADQQFGLSBU-SSDOTTSWSA-N 0 0 217.234 3.704 10 0 BHAERN C[C@@H](Nc1cc(F)ccc1F)c1ccc(O)cc1 ZINC000019907810 175929559 /nfs/dbraw/zinc/92/95/59/175929559.db2.gz RPJVLDHBMRQNNE-SECBINFHSA-N 0 0 249.260 3.844 10 0 BHAERN C[C@@H](Nc1cc(F)ccc1F)c1ccncc1 ZINC000019907822 175929502 /nfs/dbraw/zinc/92/95/02/175929502.db2.gz CQLARMBZCIVLMN-SECBINFHSA-N 0 0 234.249 3.533 10 0 BHAERN C[C@@H](Nc1cc(F)ccc1F)c1ccco1 ZINC000019907839 175929643 /nfs/dbraw/zinc/92/96/43/175929643.db2.gz QYSUDMCAKKXTOW-MRVPVSSYSA-N 0 0 223.222 3.731 10 0 BHAERN CC(C)CNc1ccc(Br)cc1F ZINC000019907965 167017519 /nfs/dbraw/zinc/01/75/19/167017519.db2.gz OESQZUVZIWZEQO-UHFFFAOYSA-N 0 0 246.123 3.656 10 0 BHAERN CCCCNc1ccc(Br)cc1F ZINC000019908049 168878708 /nfs/dbraw/zinc/87/87/08/168878708.db2.gz BUSKXWTVUGRXAU-UHFFFAOYSA-N 0 0 246.123 3.800 10 0 BHAERN CC[C@H](C)Nc1ccc(Br)cc1F ZINC000019908057 171349769 /nfs/dbraw/zinc/34/97/69/171349769.db2.gz AMACMHFXCHAQEU-ZETCQYMHSA-N 0 0 246.123 3.799 10 0 BHAERN Cc1cc(NCC(C)C)ccc1Br ZINC000019908085 178156223 /nfs/dbraw/zinc/15/62/23/178156223.db2.gz HBJQXOZCQLJQSK-UHFFFAOYSA-N 0 0 242.160 3.825 10 0 BHAERN CC[C@H](C)Nc1ccc(Br)c(C)c1 ZINC000019908162 171349873 /nfs/dbraw/zinc/34/98/73/171349873.db2.gz DILKDBMKCHKLDV-VIFPVBQESA-N 0 0 242.160 3.968 10 0 BHAERN FC(F)(F)c1ccc(N[C@@H]2CCSC2)cc1 ZINC000019909793 385198753 /nfs/dbraw/zinc/19/87/53/385198753.db2.gz SWDPYIXQMHLVNR-SNVBAGLBSA-N 0 0 247.285 3.623 10 0 BHAERN FC(F)(F)c1ccc(N[C@H]2CCSC2)cc1 ZINC000019909796 385199563 /nfs/dbraw/zinc/19/95/63/385199563.db2.gz SWDPYIXQMHLVNR-JTQLQIEISA-N 0 0 247.285 3.623 10 0 BHAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000019909867 323084218 /nfs/dbraw/zinc/08/42/18/323084218.db2.gz CSCVLFAFFYGZLU-MRVPVSSYSA-N 0 0 229.245 3.916 10 0 BHAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000019909869 323084239 /nfs/dbraw/zinc/08/42/39/323084239.db2.gz CSCVLFAFFYGZLU-QMMMGPOBSA-N 0 0 229.245 3.916 10 0 BHAERN COc1ccc(OC)c(NC2CCCCCC2)c1 ZINC000019910367 175167404 /nfs/dbraw/zinc/16/74/04/175167404.db2.gz SBVZXJFBLCSMLL-UHFFFAOYSA-N 0 0 249.354 3.839 10 0 BHAERN COc1ccc(OC)c(N[C@@H]2CCCC[C@@H]2C)c1 ZINC000019910387 175167100 /nfs/dbraw/zinc/16/71/00/175167100.db2.gz KYWAGLOVVUJXHF-WCQYABFASA-N 0 0 249.354 3.694 10 0 BHAERN COc1ccc(OC)c(N[C@H]2CCCC[C@@H]2C)c1 ZINC000019910390 175167047 /nfs/dbraw/zinc/16/70/47/175167047.db2.gz KYWAGLOVVUJXHF-AAEUAGOBSA-N 0 0 249.354 3.694 10 0 BHAERN COc1ccc(OC)c(N[C@@H]2CCCC[C@H]2C)c1 ZINC000019910392 175167505 /nfs/dbraw/zinc/16/75/05/175167505.db2.gz KYWAGLOVVUJXHF-DGCLKSJQSA-N 0 0 249.354 3.694 10 0 BHAERN COc1ccc(OC)c(N[C@H]2CCCC[C@H]2C)c1 ZINC000019910395 175167460 /nfs/dbraw/zinc/16/74/60/175167460.db2.gz KYWAGLOVVUJXHF-YPMHNXCESA-N 0 0 249.354 3.694 10 0 BHAERN COc1ccc(OC)c(N[C@@H]2CCC[C@@H](C)C2)c1 ZINC000019910397 175166951 /nfs/dbraw/zinc/16/69/51/175166951.db2.gz ZBMHXRZANLDBCB-VXGBXAGGSA-N 0 0 249.354 3.694 10 0 BHAERN COc1ccc(OC)c(N[C@H]2CCC[C@@H](C)C2)c1 ZINC000019910399 175167284 /nfs/dbraw/zinc/16/72/84/175167284.db2.gz ZBMHXRZANLDBCB-NEPJUHHUSA-N 0 0 249.354 3.694 10 0 BHAERN COc1ccc(OC)c(N[C@@H]2CCC[C@H](C)C2)c1 ZINC000019910400 175167083 /nfs/dbraw/zinc/16/70/83/175167083.db2.gz ZBMHXRZANLDBCB-NWDGAFQWSA-N 0 0 249.354 3.694 10 0 BHAERN COc1ccc(OC)c(N[C@H]2CCC[C@H](C)C2)c1 ZINC000019910402 175167092 /nfs/dbraw/zinc/16/70/92/175167092.db2.gz ZBMHXRZANLDBCB-RYUDHWBXSA-N 0 0 249.354 3.694 10 0 BHAERN COc1ccc(OC)c(N[C@@H](C)CC(C)C)c1 ZINC000019910524 175167470 /nfs/dbraw/zinc/16/74/70/175167470.db2.gz FGQOFSRQQGERES-NSHDSACASA-N 0 0 237.343 3.550 10 0 BHAERN COc1ccc(OC)c(N[C@H](C)CC(C)C)c1 ZINC000019910527 175167197 /nfs/dbraw/zinc/16/71/97/175167197.db2.gz FGQOFSRQQGERES-LLVKDONJSA-N 0 0 237.343 3.550 10 0 BHAERN CCNc1ccc(Cl)cc1C(F)(F)F ZINC000019910810 170174528 /nfs/dbraw/zinc/17/45/28/170174528.db2.gz WWVPNRJLGGJHTH-UHFFFAOYSA-N 0 0 223.625 3.791 10 0 BHAERN CC[C@H](C)Nc1cc(Cl)c(OC)cc1OC ZINC000019910948 171349478 /nfs/dbraw/zinc/34/94/78/171349478.db2.gz RMPNXZBRTVQCOD-QMMMGPOBSA-N 0 0 243.734 3.568 10 0 BHAERN CCOc1ccc(N[C@@H](C)CC)cc1OCC ZINC000019912295 170553761 /nfs/dbraw/zinc/55/37/61/170553761.db2.gz BKEVLEKMUSCOFW-NSHDSACASA-N 0 0 237.343 3.694 10 0 BHAERN CC[C@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000019912580 171349773 /nfs/dbraw/zinc/34/97/73/171349773.db2.gz SBKBOTKUUPJSNS-QMMMGPOBSA-N 0 0 233.233 3.796 10 0 BHAERN FC(F)(F)Oc1ccccc1NC1CCCC1 ZINC000019913360 180887698 /nfs/dbraw/zinc/88/76/98/180887698.db2.gz CBSFNFRBFMCUSC-UHFFFAOYSA-N 0 0 245.244 3.940 10 0 BHAERN CC[C@H](C)Nc1ccccc1OC(F)(F)F ZINC000019913415 171350454 /nfs/dbraw/zinc/35/04/54/171350454.db2.gz WLKPGOPCJKFGCF-QMMMGPOBSA-N 0 0 233.233 3.796 10 0 BHAERN C[C@@H](Nc1ccc2c(c1)CCC2)c1ccncc1 ZINC000019913809 175932383 /nfs/dbraw/zinc/93/23/83/175932383.db2.gz VQXYZVNIZFBRHL-GFCCVEGCSA-N 0 0 238.334 3.743 10 0 BHAERN C[C@@H](Nc1ccc2c(c1)CCC2)c1ccco1 ZINC000019913831 518178489 /nfs/dbraw/zinc/17/84/89/518178489.db2.gz KRKSHEAEDUBEGM-LLVKDONJSA-N 0 0 227.307 3.941 10 0 BHAERN Cc1ccc(N[C@@H](C)c2cccnc2)cc1C ZINC000019920141 178771162 /nfs/dbraw/zinc/77/11/62/178771162.db2.gz HOFBYPUMNKFIHM-ZDUSSCGKSA-N 0 0 226.323 3.872 10 0 BHAERN C[C@@H](Nc1cccc(F)c1)c1ccc(O)cc1 ZINC000019920666 175933088 /nfs/dbraw/zinc/93/30/88/175933088.db2.gz WJRLNJBGUKKDDZ-SNVBAGLBSA-N 0 0 231.270 3.704 10 0 BHAERN Fc1cccc(N[C@@H]2CCOc3ccccc32)c1 ZINC000019920984 181001787 /nfs/dbraw/zinc/00/17/87/181001787.db2.gz MVKBMBPMARXWBQ-CQSZACIVSA-N 0 0 243.281 3.761 10 0 BHAERN Fc1cccc(N[C@H]2CCOc3ccccc32)c1 ZINC000019920986 181002844 /nfs/dbraw/zinc/00/28/44/181002844.db2.gz MVKBMBPMARXWBQ-AWEZNQCLSA-N 0 0 243.281 3.761 10 0 BHAERN CC(C)[C@@H](C)Nc1ccccc1Br ZINC000019922711 167387005 /nfs/dbraw/zinc/38/70/05/167387005.db2.gz VDMNNJQXMFQNSM-SECBINFHSA-N 0 0 242.160 3.906 10 0 BHAERN C[C@H](Nc1ccc(Br)cc1)C1CC1 ZINC000019923106 176932563 /nfs/dbraw/zinc/93/25/63/176932563.db2.gz OUYDUIJPMUQUEF-QMMMGPOBSA-N 0 0 240.144 3.660 10 0 BHAERN CC(C)[C@@H](C)Nc1ccc(Br)cc1 ZINC000019923141 167386232 /nfs/dbraw/zinc/38/62/32/167386232.db2.gz FOGQYEOTTGVLKV-SECBINFHSA-N 0 0 242.160 3.906 10 0 BHAERN CC(C)[C@@H](C)Nc1cccc(Br)c1 ZINC000019941789 167387357 /nfs/dbraw/zinc/38/73/57/167387357.db2.gz CQJNUIYDJCQPMV-SECBINFHSA-N 0 0 242.160 3.906 10 0 BHAERN C[C@@H](Nc1ccccc1F)c1ccccc1 ZINC000019944309 175933541 /nfs/dbraw/zinc/93/35/41/175933541.db2.gz ZVNJMUXFOJOLHE-LLVKDONJSA-N 0 0 215.271 3.999 10 0 BHAERN C[C@H](Nc1ccccc1F)c1ccc(O)cc1 ZINC000019944329 176936712 /nfs/dbraw/zinc/93/67/12/176936712.db2.gz QKQQTSMZPGCYAB-JTQLQIEISA-N 0 0 231.270 3.704 10 0 BHAERN C[C@@H](Nc1ccccc1F)c1ccco1 ZINC000019944431 342964018 /nfs/dbraw/zinc/96/40/18/342964018.db2.gz LAXAIGCKBINYPT-SECBINFHSA-N 0 0 205.232 3.592 10 0 BHAERN C[C@H](Nc1ccccc1F)c1ccco1 ZINC000019944435 342963911 /nfs/dbraw/zinc/96/39/11/342963911.db2.gz LAXAIGCKBINYPT-VIFPVBQESA-N 0 0 205.232 3.592 10 0 BHAERN Fc1ccccc1N[C@@H]1CCc2ccccc21 ZINC000019944452 181014173 /nfs/dbraw/zinc/01/41/73/181014173.db2.gz SRNQQNQUOQZVFP-CQSZACIVSA-N 0 0 227.282 3.925 10 0 BHAERN Fc1ccccc1N[C@H]1CCc2ccccc21 ZINC000019944456 181014610 /nfs/dbraw/zinc/01/46/10/181014610.db2.gz SRNQQNQUOQZVFP-AWEZNQCLSA-N 0 0 227.282 3.925 10 0 BHAERN C[C@@H](Nc1ccccc1F)c1cccc(O)c1 ZINC000019944568 175933886 /nfs/dbraw/zinc/93/38/86/175933886.db2.gz YVSGLQPZYGATRC-SNVBAGLBSA-N 0 0 231.270 3.704 10 0 BHAERN C[C@H](Nc1ccccc1F)c1cccc(O)c1 ZINC000019944570 176936829 /nfs/dbraw/zinc/93/68/29/176936829.db2.gz YVSGLQPZYGATRC-JTQLQIEISA-N 0 0 231.270 3.704 10 0 BHAERN Fc1ccccc1N[C@@H]1CCOc2ccccc21 ZINC000019944778 181014611 /nfs/dbraw/zinc/01/46/11/181014611.db2.gz VUZXEPWUGIBPHG-CYBMUJFWSA-N 0 0 243.281 3.761 10 0 BHAERN Fc1ccccc1N[C@H]1CCOc2ccccc21 ZINC000019944781 181014182 /nfs/dbraw/zinc/01/41/82/181014182.db2.gz VUZXEPWUGIBPHG-ZDUSSCGKSA-N 0 0 243.281 3.761 10 0 BHAERN Fc1ccc(NCCc2ccccc2)c(F)c1 ZINC000019951802 590054912 /nfs/dbraw/zinc/05/49/12/590054912.db2.gz BNOAZFVBVGSVEO-UHFFFAOYSA-N 0 0 233.261 3.619 10 0 BHAERN C[C@@H](Nc1ccc(F)cc1F)c1ccccn1 ZINC000019951967 175930517 /nfs/dbraw/zinc/93/05/17/175930517.db2.gz BQHRNQCWHILIKH-SECBINFHSA-N 0 0 234.249 3.533 10 0 BHAERN C[C@@H](Nc1ccc(F)cc1F)c1ccncc1 ZINC000019951976 175930892 /nfs/dbraw/zinc/93/08/92/175930892.db2.gz DBAPPOTWLYTNMN-SECBINFHSA-N 0 0 234.249 3.533 10 0 BHAERN C[C@@H](Nc1ccc(F)cc1F)c1cccnc1 ZINC000019951985 175930421 /nfs/dbraw/zinc/93/04/21/175930421.db2.gz CJHZBCDOYVQUOZ-SECBINFHSA-N 0 0 234.249 3.533 10 0 BHAERN C[C@@H](Nc1ccc(F)cc1F)c1cccc(O)c1 ZINC000019952222 175930450 /nfs/dbraw/zinc/93/04/50/175930450.db2.gz SIXMTYBEVLPHFO-SECBINFHSA-N 0 0 249.260 3.844 10 0 BHAERN CCCCc1ccc(Nc2ccc(N)nc2)cc1 ZINC000019952420 169022101 /nfs/dbraw/zinc/02/21/01/169022101.db2.gz JCOKYCAVNHRVJZ-UHFFFAOYSA-N 0 0 241.338 3.750 10 0 BHAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccc(O)cc1 ZINC000019961806 176931529 /nfs/dbraw/zinc/93/15/29/176931529.db2.gz IHJTVCFJFZVYHW-VIFPVBQESA-N 0 0 249.260 3.844 10 0 BHAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccccn1 ZINC000019961842 176931092 /nfs/dbraw/zinc/93/10/92/176931092.db2.gz UALOHPXOSXKZAM-VIFPVBQESA-N 0 0 234.249 3.533 10 0 BHAERN C[C@@H](Nc1cc(F)cc(F)c1)c1cccnc1 ZINC000019961854 175929646 /nfs/dbraw/zinc/92/96/46/175929646.db2.gz QWVKBAYTKBSAJX-SECBINFHSA-N 0 0 234.249 3.533 10 0 BHAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccco1 ZINC000019961887 176931353 /nfs/dbraw/zinc/93/13/53/176931353.db2.gz DNVVCIBFCNCVPB-QMMMGPOBSA-N 0 0 223.222 3.731 10 0 BHAERN C[C@@H](Nc1cc(F)cc(F)c1)c1cccc(O)c1 ZINC000019961947 175929409 /nfs/dbraw/zinc/92/94/09/175929409.db2.gz HOCVPIGKYJJHDB-SECBINFHSA-N 0 0 249.260 3.844 10 0 BHAERN COc1cccc(N[C@@H](C)c2ccc(O)cc2)c1 ZINC000019964040 175280001 /nfs/dbraw/zinc/28/00/01/175280001.db2.gz MIGMWRNRQULPJM-NSHDSACASA-N 0 0 243.306 3.574 10 0 BHAERN COc1cccc(N[C@H](C)c2ccc(O)cc2)c1 ZINC000019964041 175280247 /nfs/dbraw/zinc/28/02/47/175280247.db2.gz MIGMWRNRQULPJM-LLVKDONJSA-N 0 0 243.306 3.574 10 0 BHAERN Cc1ccc(N[C@H](C)c2ccc(O)cc2)cc1 ZINC000019964412 178777103 /nfs/dbraw/zinc/77/71/03/178777103.db2.gz MTMZFPNPQCDISL-GFCCVEGCSA-N 0 0 227.307 3.874 10 0 BHAERN COc1ccc(N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000019964706 175154039 /nfs/dbraw/zinc/15/40/39/175154039.db2.gz IDJVXEKSDCRBNP-SMDDNHRTSA-N 0 0 219.328 3.686 10 0 BHAERN COc1ccc(N[C@H]2CCCC[C@@H]2C)cc1 ZINC000019964707 175155259 /nfs/dbraw/zinc/15/52/59/175155259.db2.gz IDJVXEKSDCRBNP-FZMZJTMJSA-N 0 0 219.328 3.686 10 0 BHAERN COc1ccc(N[C@@H]2CCCC[C@H]2C)cc1 ZINC000019964708 175153868 /nfs/dbraw/zinc/15/38/68/175153868.db2.gz IDJVXEKSDCRBNP-BXUZGUMPSA-N 0 0 219.328 3.686 10 0 BHAERN COc1ccc(N[C@H]2CCCC[C@H]2C)cc1 ZINC000019964709 175155764 /nfs/dbraw/zinc/15/57/64/175155764.db2.gz IDJVXEKSDCRBNP-RISCZKNCSA-N 0 0 219.328 3.686 10 0 BHAERN COc1ccc(N[C@@H](C)c2ccc(O)cc2)cc1 ZINC000019964741 175154168 /nfs/dbraw/zinc/15/41/68/175154168.db2.gz PKSCAXVNEOXDHZ-NSHDSACASA-N 0 0 243.306 3.574 10 0 BHAERN COc1ccc(N[C@H](C)c2ccc(O)cc2)cc1 ZINC000019964742 175155018 /nfs/dbraw/zinc/15/50/18/175155018.db2.gz PKSCAXVNEOXDHZ-LLVKDONJSA-N 0 0 243.306 3.574 10 0 BHAERN COc1ccc(N[C@@H](C)c2cccc(O)c2)cc1 ZINC000019964816 175154238 /nfs/dbraw/zinc/15/42/38/175154238.db2.gz BMIKHLRUMBBZAJ-NSHDSACASA-N 0 0 243.306 3.574 10 0 BHAERN COc1ccc(N[C@H](C)c2cccc(O)c2)cc1 ZINC000019964817 175154521 /nfs/dbraw/zinc/15/45/21/175154521.db2.gz BMIKHLRUMBBZAJ-LLVKDONJSA-N 0 0 243.306 3.574 10 0 BHAERN Cc1ccccc1N[C@H](C)c1ccc(O)cc1 ZINC000019964970 179306939 /nfs/dbraw/zinc/30/69/39/179306939.db2.gz AOXWPDPUOVKDSU-GFCCVEGCSA-N 0 0 227.307 3.874 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1ccc(O)cc1 ZINC000019964971 179306073 /nfs/dbraw/zinc/30/60/73/179306073.db2.gz AOXWPDPUOVKDSU-LBPRGKRZSA-N 0 0 227.307 3.874 10 0 BHAERN Cc1ccccc1N[C@H](C)c1ccncc1 ZINC000019964988 179306970 /nfs/dbraw/zinc/30/69/70/179306970.db2.gz FNWOXMMCNMZATM-GFCCVEGCSA-N 0 0 212.296 3.563 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1ccncc1 ZINC000019964989 179306342 /nfs/dbraw/zinc/30/63/42/179306342.db2.gz FNWOXMMCNMZATM-LBPRGKRZSA-N 0 0 212.296 3.563 10 0 BHAERN Cc1ccccc1N[C@H](C)c1cccnc1 ZINC000019964990 179307302 /nfs/dbraw/zinc/30/73/02/179307302.db2.gz UUAFXBJIGCNFBR-GFCCVEGCSA-N 0 0 212.296 3.563 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1cccnc1 ZINC000019964991 179306319 /nfs/dbraw/zinc/30/63/19/179306319.db2.gz UUAFXBJIGCNFBR-LBPRGKRZSA-N 0 0 212.296 3.563 10 0 BHAERN Cc1ccccc1N[C@H](C)c1ccco1 ZINC000019965005 179306856 /nfs/dbraw/zinc/30/68/56/179306856.db2.gz KKJNFOYMKGSGIR-LLVKDONJSA-N 0 0 201.269 3.761 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1ccco1 ZINC000019965006 179306246 /nfs/dbraw/zinc/30/62/46/179306246.db2.gz KKJNFOYMKGSGIR-NSHDSACASA-N 0 0 201.269 3.761 10 0 BHAERN Cc1ccccc1N[C@H](C)c1cccc(O)c1 ZINC000019965048 179307334 /nfs/dbraw/zinc/30/73/34/179307334.db2.gz SIWZOIFPVWSOLD-GFCCVEGCSA-N 0 0 227.307 3.874 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1cccc(O)c1 ZINC000019965049 179305870 /nfs/dbraw/zinc/30/58/70/179305870.db2.gz SIWZOIFPVWSOLD-LBPRGKRZSA-N 0 0 227.307 3.874 10 0 BHAERN Cc1ccccc1N[C@@H]1CCOc2ccccc21 ZINC000019965118 179306920 /nfs/dbraw/zinc/30/69/20/179306920.db2.gz NXOWGBZGILHMRA-OAHLLOKOSA-N 0 0 239.318 3.931 10 0 BHAERN Cc1ccccc1N[C@H]1CCOc2ccccc21 ZINC000019965119 179307271 /nfs/dbraw/zinc/30/72/71/179307271.db2.gz NXOWGBZGILHMRA-HNNXBMFYSA-N 0 0 239.318 3.931 10 0 BHAERN CC[C@@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000019965183 170759958 /nfs/dbraw/zinc/75/99/58/170759958.db2.gz CQUCLDBNBASEIH-MRVPVSSYSA-N 0 0 233.233 3.796 10 0 BHAERN CC[C@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000019965184 171350200 /nfs/dbraw/zinc/35/02/00/171350200.db2.gz CQUCLDBNBASEIH-QMMMGPOBSA-N 0 0 233.233 3.796 10 0 BHAERN CCC1CCC(Nc2ccc3c(c2)OCO3)CC1 ZINC000019966183 168523191 /nfs/dbraw/zinc/52/31/91/168523191.db2.gz BQTXTOIQACJUSH-UHFFFAOYSA-N 0 0 247.338 3.796 10 0 BHAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccc2c(c1)OCO2 ZINC000019966197 176114107 /nfs/dbraw/zinc/11/41/07/176114107.db2.gz GHXGRJSUECDGFQ-GHMZBOCLSA-N 0 0 247.338 3.652 10 0 BHAERN C[C@@H]1CCC[C@H](C)C1Nc1ccc2c(c1)OCO2 ZINC000019966198 177114166 /nfs/dbraw/zinc/11/41/66/177114166.db2.gz GHXGRJSUECDGFQ-YWXMQNBFSA-N 0 0 247.338 3.652 10 0 BHAERN C[C@H]1CCC[C@H](C)C1Nc1ccc2c(c1)OCO2 ZINC000019966199 177130557 /nfs/dbraw/zinc/13/05/57/177130557.db2.gz GHXGRJSUECDGFQ-QWRGUYRKSA-N 0 0 247.338 3.652 10 0 BHAERN Cc1ccccc1C[C@@H]([NH3+])c1ccc(F)cc1F ZINC000019969009 179290017 /nfs/dbraw/zinc/29/00/17/179290017.db2.gz IRPVFMRURGWAHY-OAHLLOKOSA-N 0 0 247.288 3.516 10 0 BHAERN Cc1ccccc1C[C@@H]([NH3+])c1cc(F)ccc1F ZINC000019969521 179289595 /nfs/dbraw/zinc/28/95/95/179289595.db2.gz FTQLGBHQVLGOKG-OAHLLOKOSA-N 0 0 247.288 3.516 10 0 BHAERN CC[C@@H](C)c1ccc([C@@H](N)C(F)(F)F)cc1 ZINC000019969971 170804854 /nfs/dbraw/zinc/80/48/54/170804854.db2.gz PFYARHCIBQPYDE-LDYMZIIASA-N 0 0 231.261 3.762 10 0 BHAERN CCCCc1ccc([C@@H](N)C(F)(F)F)cc1 ZINC000019970519 169021753 /nfs/dbraw/zinc/02/17/53/169021753.db2.gz GVJTVJAGNGOIPK-LLVKDONJSA-N 0 0 231.261 3.591 10 0 BHAERN CCCCc1ccc([C@H](N)C(F)(F)F)cc1 ZINC000019970520 169023144 /nfs/dbraw/zinc/02/31/44/169023144.db2.gz GVJTVJAGNGOIPK-NSHDSACASA-N 0 0 231.261 3.591 10 0 BHAERN O=Cc1cn(CCc2ccccc2)c2ccccc12 ZINC000019974262 182874063 /nfs/dbraw/zinc/87/40/63/182874063.db2.gz VVAIHYXWETWVFI-UHFFFAOYSA-N 0 0 249.313 3.697 10 0 BHAERN Fc1ccccc1NCC1CCCCC1 ZINC000019980398 181013928 /nfs/dbraw/zinc/01/39/28/181013928.db2.gz VYLDJGGWFPZDDJ-UHFFFAOYSA-N 0 0 207.292 3.818 10 0 BHAERN CCC(CC)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000019983407 168393561 /nfs/dbraw/zinc/39/35/61/168393561.db2.gz SYXNAJOLBLLPRM-UHFFFAOYSA-N 0 0 243.253 3.609 10 0 BHAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NCC(F)(F)F ZINC000019990114 259386752 /nfs/dbraw/zinc/38/67/52/259386752.db2.gz KCDVOFDOMHIREY-VWYCJHECSA-N 0 0 237.309 3.599 10 0 BHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NCC(F)(F)F ZINC000019990117 259386973 /nfs/dbraw/zinc/38/69/73/259386973.db2.gz KCDVOFDOMHIREY-MXWKQRLJSA-N 0 0 237.309 3.599 10 0 BHAERN CCOc1ccccc1NCC(CC)CC ZINC000019997496 170594594 /nfs/dbraw/zinc/59/45/94/170594594.db2.gz OINNOGWCPZCVMH-UHFFFAOYSA-N 0 0 221.344 3.933 10 0 BHAERN Cc1ccc(F)cc1N[C@H](C)CC(C)C ZINC000019997660 262740993 /nfs/dbraw/zinc/74/09/93/262740993.db2.gz UTSMSBIUCPQHNW-LLVKDONJSA-N 0 0 209.308 3.981 10 0 BHAERN Cc1ccc(F)cc1N[C@@H](C)CC(C)C ZINC000019997663 385376104 /nfs/dbraw/zinc/37/61/04/385376104.db2.gz UTSMSBIUCPQHNW-NSHDSACASA-N 0 0 209.308 3.981 10 0 BHAERN N=C1c2ccccc2CN1c1ccccc1Cl ZINC000020000238 181208053 /nfs/dbraw/zinc/20/80/53/181208053.db2.gz VAOHHUOZORWFOW-UHFFFAOYSA-N 0 0 242.709 3.686 10 0 BHAERN COc1ccc(C)cc1NC1CCC(C)CC1 ZINC000020004548 175077405 /nfs/dbraw/zinc/07/74/05/175077405.db2.gz QOGXDURPMYLFEV-UHFFFAOYSA-N 0 0 233.355 3.994 10 0 BHAERN CCc1ccc(NCCc2ccccc2)cc1 ZINC000020006348 590066903 /nfs/dbraw/zinc/06/69/03/590066903.db2.gz PZAOVFPDCRTIRM-UHFFFAOYSA-N 0 0 225.335 3.904 10 0 BHAERN CCOc1cc(C=O)ccc1OC1CCCCC1 ZINC000020007967 170521498 /nfs/dbraw/zinc/52/14/98/170521498.db2.gz VJKRZUBMKDMCOX-UHFFFAOYSA-N 0 0 248.322 3.609 10 0 BHAERN CCC[C@@H](C)CNc1ccc(C)c(F)c1 ZINC000020010393 169361168 /nfs/dbraw/zinc/36/11/68/169361168.db2.gz MHNRBKRTHLSWDM-SNVBAGLBSA-N 0 0 209.308 3.982 10 0 BHAERN CCC(CC)CNc1cc(F)cc(F)c1 ZINC000020013866 168364170 /nfs/dbraw/zinc/36/41/70/168364170.db2.gz KXHTZLXHMAMVPX-UHFFFAOYSA-N 0 0 213.271 3.813 10 0 BHAERN Cc1ccc(NCCc2ccccc2)cc1F ZINC000020020064 590067089 /nfs/dbraw/zinc/06/70/89/590067089.db2.gz OEYHTNQCBLQJKC-UHFFFAOYSA-N 0 0 229.298 3.789 10 0 BHAERN CCCCNc1cc(C)c(Cl)cc1OC ZINC000020024544 168877608 /nfs/dbraw/zinc/87/76/08/168877608.db2.gz KRCWMNAMZYYFQL-UHFFFAOYSA-N 0 0 227.735 3.869 10 0 BHAERN Cc1ccc(Cl)cc1NCC(F)(F)F ZINC000020033084 582459433 /nfs/dbraw/zinc/45/94/33/582459433.db2.gz GXWKGUDBLSUJBP-UHFFFAOYSA-N 0 0 223.625 3.623 10 0 BHAERN CC(C)(C)c1ccc(NC[C@@H]2CCCO2)cc1 ZINC000020042504 188282158 /nfs/dbraw/zinc/28/21/58/188282158.db2.gz NLRLQLSGCJCYTN-AWEZNQCLSA-N 0 0 233.355 3.575 10 0 BHAERN Cc1c(Cl)cccc1NCC(F)(F)F ZINC000020042674 177602328 /nfs/dbraw/zinc/60/23/28/177602328.db2.gz URDPXWRURAPMDR-UHFFFAOYSA-N 0 0 223.625 3.623 10 0 BHAERN CC(C)c1ccccc1NCC(F)(F)F ZINC000020044440 167640847 /nfs/dbraw/zinc/64/08/47/167640847.db2.gz WSQHWCGPMIYUCA-UHFFFAOYSA-N 0 0 217.234 3.784 10 0 BHAERN FC(F)(F)CNc1ccc(C(F)(F)F)cc1 ZINC000020046235 180885128 /nfs/dbraw/zinc/88/51/28/180885128.db2.gz VQCQCATYEGLYLY-UHFFFAOYSA-N 0 0 243.150 3.680 10 0 BHAERN Clc1ccc(NC[C@H]2CCCO2)cc1Cl ZINC000020048426 180583101 /nfs/dbraw/zinc/58/31/01/180583101.db2.gz NRRJVORFPNSSFY-SECBINFHSA-N 0 0 246.137 3.584 10 0 BHAERN COc1cccc(NCCCc2ccccc2)c1 ZINC000020055771 175278066 /nfs/dbraw/zinc/27/80/66/175278066.db2.gz PILDZSAQSOBZDM-UHFFFAOYSA-N 0 0 241.334 3.740 10 0 BHAERN CCCNc1c(C)cc(Br)cc1C ZINC000020071052 169294035 /nfs/dbraw/zinc/29/40/35/169294035.db2.gz ZEQFVYZNCSZGPA-UHFFFAOYSA-N 0 0 242.160 3.888 10 0 BHAERN CCN(Cc1ccc(C)c(N)c1)c1ccccc1 ZINC000020073615 169905026 /nfs/dbraw/zinc/90/50/26/169905026.db2.gz RCKRMJZIPHQZTH-UHFFFAOYSA-N 0 0 240.350 3.604 10 0 BHAERN CCN(Cc1ccc(N)c(C)c1)c1ccccc1 ZINC000020073630 169906343 /nfs/dbraw/zinc/90/63/43/169906343.db2.gz TXNFLOSVWDFWNR-UHFFFAOYSA-N 0 0 240.350 3.604 10 0 BHAERN Nc1cc(F)ccc1Sc1cccs1 ZINC000020078053 181688151 /nfs/dbraw/zinc/68/81/51/181688151.db2.gz KUSDDOPENOCQRI-UHFFFAOYSA-N 0 0 225.313 3.621 10 0 BHAERN Nc1cccc(CSc2cccs2)c1 ZINC000020078060 181742901 /nfs/dbraw/zinc/74/29/01/181742901.db2.gz OPARCRNYNGEZEV-UHFFFAOYSA-N 0 0 221.350 3.623 10 0 BHAERN O=Cc1ccc(N2CCCc3ccccc32)cc1 ZINC000020079138 132329933 /nfs/dbraw/zinc/32/99/33/132329933.db2.gz ZPWHFCYQSAPMSU-UHFFFAOYSA-N 0 0 237.302 3.583 10 0 BHAERN O=Cc1ccccc1N1CCCc2ccccc21 ZINC000020079140 132329929 /nfs/dbraw/zinc/32/99/29/132329929.db2.gz PXJDLWFWCAQCEV-UHFFFAOYSA-N 0 0 237.302 3.583 10 0 BHAERN O=Cc1c(Cl)cccc1OCc1ccccc1 ZINC000020079298 182858398 /nfs/dbraw/zinc/85/83/98/182858398.db2.gz UNNCWYJHQPHIBG-UHFFFAOYSA-N 0 0 246.693 3.732 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Oc1ccc(C=O)cc1F ZINC000020079338 176082576 /nfs/dbraw/zinc/08/25/76/176082576.db2.gz MBNSVLYFKKSMSF-MFKMUULPSA-N 0 0 236.286 3.596 10 0 BHAERN C[C@H]1CCCC[C@@H]1Oc1ccc(C=O)cc1F ZINC000020079340 177084196 /nfs/dbraw/zinc/08/41/96/177084196.db2.gz MBNSVLYFKKSMSF-GWCFXTLKSA-N 0 0 236.286 3.596 10 0 BHAERN C[C@@H]1CCCC[C@H]1Oc1ccc(C=O)cc1F ZINC000020079342 176090093 /nfs/dbraw/zinc/09/00/93/176090093.db2.gz MBNSVLYFKKSMSF-ZWNOBZJWSA-N 0 0 236.286 3.596 10 0 BHAERN C[C@H]1CCCC[C@H]1Oc1ccc(C=O)cc1F ZINC000020079343 177090349 /nfs/dbraw/zinc/09/03/49/177090349.db2.gz MBNSVLYFKKSMSF-GXFFZTMASA-N 0 0 236.286 3.596 10 0 BHAERN CCOc1ccccc1Oc1ccccc1C=O ZINC000020079531 170597450 /nfs/dbraw/zinc/59/74/50/170597450.db2.gz SIXZKTXVRYUZKZ-UHFFFAOYSA-N 0 0 242.274 3.690 10 0 BHAERN O=Cc1ccccc1Oc1ccccc1Cl ZINC000020079562 384573393 /nfs/dbraw/zinc/57/33/93/384573393.db2.gz MUNVKPJSBYYXLT-UHFFFAOYSA-N 0 0 232.666 3.945 10 0 BHAERN Cc1cccc(Oc2ccccc2C=O)c1 ZINC000020079573 187315120 /nfs/dbraw/zinc/31/51/20/187315120.db2.gz PPKVRLUXKBGYGK-UHFFFAOYSA-N 0 0 212.248 3.600 10 0 BHAERN Cc1cccc(Oc2ccc(C=O)cc2F)c1 ZINC000020079576 179175729 /nfs/dbraw/zinc/17/57/29/179175729.db2.gz AYPOQWWFOURQIL-UHFFFAOYSA-N 0 0 230.238 3.739 10 0 BHAERN Cc1ccccc1Oc1ccccc1C=O ZINC000020079580 179314107 /nfs/dbraw/zinc/31/41/07/179314107.db2.gz HESGRRUYUHSXER-UHFFFAOYSA-N 0 0 212.248 3.600 10 0 BHAERN Cc1ccccc1Oc1ccc(C=O)cc1F ZINC000020079584 179313513 /nfs/dbraw/zinc/31/35/13/179313513.db2.gz OLWHTCZBERWTCX-UHFFFAOYSA-N 0 0 230.238 3.739 10 0 BHAERN Cc1cc(Cl)cc(C)c1Oc1ncccc1N ZINC000020081100 178063018 /nfs/dbraw/zinc/06/30/18/178063018.db2.gz XCAJOWYZJJCMRG-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN CC(C)c1cccc(Oc2ncccc2N)c1 ZINC000020081114 167635932 /nfs/dbraw/zinc/63/59/32/167635932.db2.gz GHWYBBHXPBBWFU-UHFFFAOYSA-N 0 0 228.295 3.580 10 0 BHAERN Cc1cc(Oc2ncccc2N)ccc1C(C)C ZINC000020081123 178215497 /nfs/dbraw/zinc/21/54/97/178215497.db2.gz ARZDTTVMWRVMPH-UHFFFAOYSA-N 0 0 242.322 3.888 10 0 BHAERN CC[C@H](C)c1ccccc1Oc1ncccc1N ZINC000020081137 171413321 /nfs/dbraw/zinc/41/33/21/171413321.db2.gz DPFXQHLXSJONNL-NSHDSACASA-N 0 0 242.322 3.970 10 0 BHAERN C[C@@H]1CCC[C@@H](C)N1c1ccc(N)cc1Cl ZINC000020081280 385513421 /nfs/dbraw/zinc/51/34/21/385513421.db2.gz DJPSFTRQFSIRGH-NXEZZACHSA-N 0 0 238.762 3.690 10 0 BHAERN C[C@@H]1CCC[C@H](C)N1c1ccc(N)cc1Cl ZINC000020081282 132450178 /nfs/dbraw/zinc/45/01/78/132450178.db2.gz DJPSFTRQFSIRGH-AOOOYVTPSA-N 0 0 238.762 3.690 10 0 BHAERN C[C@H]1CCC[C@H](C)N1c1ccc(N)cc1Cl ZINC000020081285 132450167 /nfs/dbraw/zinc/45/01/67/132450167.db2.gz DJPSFTRQFSIRGH-UWVGGRQHSA-N 0 0 238.762 3.690 10 0 BHAERN Cc1nc([C@@H](C)Nc2ccccc2)c(C)s1 ZINC000020085443 180038358 /nfs/dbraw/zinc/03/83/58/180038358.db2.gz RDTYZFUCYZODCS-SECBINFHSA-N 0 0 232.352 3.933 10 0 BHAERN Cc1nc([C@H](C)Nc2ccccc2)c(C)s1 ZINC000020085444 180052500 /nfs/dbraw/zinc/05/25/00/180052500.db2.gz RDTYZFUCYZODCS-VIFPVBQESA-N 0 0 232.352 3.933 10 0 BHAERN Cc1cc([C@@H](C)Nc2cccnc2)c(C)s1 ZINC000020086144 178234293 /nfs/dbraw/zinc/23/42/93/178234293.db2.gz YDEPQLRVMWGMHI-SNVBAGLBSA-N 0 0 232.352 3.933 10 0 BHAERN Cc1cc([C@H](C)Nc2cccnc2)c(C)s1 ZINC000020086146 178260243 /nfs/dbraw/zinc/26/02/43/178260243.db2.gz YDEPQLRVMWGMHI-JTQLQIEISA-N 0 0 232.352 3.933 10 0 BHAERN Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccco1 ZINC000020126204 179339277 /nfs/dbraw/zinc/33/92/77/179339277.db2.gz AXHSXJFCUSWQPK-QWHCGFSZSA-N 0 0 229.323 4.000 10 0 BHAERN CCC[C@@H](C)CNc1cccc(NC(=O)CC)c1 ZINC000020132172 169360720 /nfs/dbraw/zinc/36/07/20/169360720.db2.gz AEZOSGQWAXZOML-GFCCVEGCSA-N 0 0 248.370 3.883 10 0 BHAERN Cc1ccc(CNc2ccc3[nH]ccc3c2)o1 ZINC000020132347 178638404 /nfs/dbraw/zinc/63/84/04/178638404.db2.gz OHPJUFSIAQRYEK-UHFFFAOYSA-N 0 0 226.279 3.681 10 0 BHAERN Cc1nc2cc(NCCC(C)C)ccc2o1 ZINC000020143970 180083270 /nfs/dbraw/zinc/08/32/70/180083270.db2.gz PLTGIIJLPKOTSU-UHFFFAOYSA-N 0 0 218.300 3.594 10 0 BHAERN CCNc1ccc(-c2csc(C)n2)cc1 ZINC000020147490 170172903 /nfs/dbraw/zinc/17/29/03/170172903.db2.gz HRMHBDIIYLEMJM-UHFFFAOYSA-N 0 0 218.325 3.550 10 0 BHAERN CCC(CC)CNc1ccc(-c2nnco2)cc1 ZINC000020186865 168365097 /nfs/dbraw/zinc/36/50/97/168365097.db2.gz AITVOUAASDYDAE-UHFFFAOYSA-N 0 0 245.326 3.585 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1cccc(-c2nnco2)c1 ZINC000020187436 171367927 /nfs/dbraw/zinc/36/79/27/171367927.db2.gz DOEVKDAZAMDCME-WDEREUQCSA-N 0 0 245.326 3.583 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1cccc(-c2nnco2)c1 ZINC000020187440 171390933 /nfs/dbraw/zinc/39/09/33/171390933.db2.gz DOEVKDAZAMDCME-QWRGUYRKSA-N 0 0 245.326 3.583 10 0 BHAERN CN(Cc1ccc(N)cc1Cl)c1ccccc1 ZINC000020192765 172854358 /nfs/dbraw/zinc/85/43/58/172854358.db2.gz ORDHYIRQVOZVFE-UHFFFAOYSA-N 0 0 246.741 3.559 10 0 BHAERN Oc1cccc(NCc2ccccc2Cl)c1 ZINC000020193013 183293258 /nfs/dbraw/zinc/29/32/58/183293258.db2.gz OSYODOUVMJHBRM-UHFFFAOYSA-N 0 0 233.698 3.658 10 0 BHAERN Oc1cccc(NCc2ccc(Cl)cc2)c1 ZINC000020193026 183293065 /nfs/dbraw/zinc/29/30/65/183293065.db2.gz KTTFXYAETNRAED-UHFFFAOYSA-N 0 0 233.698 3.658 10 0 BHAERN CC[C@H](Nc1cccc(O)c1)c1ccccc1 ZINC000020193390 171551794 /nfs/dbraw/zinc/55/17/94/171551794.db2.gz VTWYLFZPWDPZKR-HNNXBMFYSA-N 0 0 227.307 3.955 10 0 BHAERN COc1ccccc1[C@@H](C)Nc1cccc(O)c1 ZINC000020193429 175345648 /nfs/dbraw/zinc/34/56/48/175345648.db2.gz URWOBFUDWVYBRJ-LLVKDONJSA-N 0 0 243.306 3.574 10 0 BHAERN COc1ccccc1[C@H](C)Nc1cccc(O)c1 ZINC000020193433 175352240 /nfs/dbraw/zinc/35/22/40/175352240.db2.gz URWOBFUDWVYBRJ-NSHDSACASA-N 0 0 243.306 3.574 10 0 BHAERN COc1cccc([C@@H](C)Nc2cccc(O)c2)c1 ZINC000020193601 175287893 /nfs/dbraw/zinc/28/78/93/175287893.db2.gz IJJVZIJYWFTASG-LLVKDONJSA-N 0 0 243.306 3.574 10 0 BHAERN COc1cccc([C@H](C)Nc2cccc(O)c2)c1 ZINC000020193605 175294419 /nfs/dbraw/zinc/29/44/19/175294419.db2.gz IJJVZIJYWFTASG-NSHDSACASA-N 0 0 243.306 3.574 10 0 BHAERN CC[C@H](Nc1cccc(O)c1)c1ccc(O)cc1 ZINC000020193637 171552335 /nfs/dbraw/zinc/55/23/35/171552335.db2.gz RQCKVPFVGJJXOC-HNNXBMFYSA-N 0 0 243.306 3.661 10 0 BHAERN Oc1cccc(NCc2cccc(Cl)c2)c1 ZINC000020193908 183292576 /nfs/dbraw/zinc/29/25/76/183292576.db2.gz NSUQMPPORCEJCW-UHFFFAOYSA-N 0 0 233.698 3.658 10 0 BHAERN C[C@H](CNc1cccc(O)c1)c1ccccc1 ZINC000020194112 176687193 /nfs/dbraw/zinc/68/71/93/176687193.db2.gz HJVSMPNQNTVSTP-GFCCVEGCSA-N 0 0 227.307 3.608 10 0 BHAERN Oc1cccc(NCc2cc3ccccc3o2)c1 ZINC000020194124 183293050 /nfs/dbraw/zinc/29/30/50/183293050.db2.gz IKZWLPOVWDFRID-UHFFFAOYSA-N 0 0 239.274 3.751 10 0 BHAERN Oc1cccc(NCc2ccc(Cl)s2)c1 ZINC000020194130 183292874 /nfs/dbraw/zinc/29/28/74/183292874.db2.gz UGYPMPWURDONTC-UHFFFAOYSA-N 0 0 239.727 3.719 10 0 BHAERN CSc1ccc(CNc2cccc(O)c2)cc1 ZINC000020194168 187936670 /nfs/dbraw/zinc/93/66/70/187936670.db2.gz KZQQXPINUNTIJK-UHFFFAOYSA-N 0 0 245.347 3.726 10 0 BHAERN c1ccc(NCc2ccc3ccccc3n2)cc1 ZINC000020246173 343140164 /nfs/dbraw/zinc/14/01/64/343140164.db2.gz KAVVLRNYYAGVOS-UHFFFAOYSA-N 0 0 234.302 3.847 10 0 BHAERN CC(=O)c1ccc(-c2cccc(Cl)c2)o1 ZINC000020267817 538931065 /nfs/dbraw/zinc/93/10/65/538931065.db2.gz JTHVLTWZFLZUFG-UHFFFAOYSA-N 0 0 220.655 3.803 10 0 BHAERN Cc1cc(C)c2nc(Cl)c(C)cc2c1 ZINC000020271024 177887468 /nfs/dbraw/zinc/88/74/68/177887468.db2.gz APSLBONHRXJFMM-UHFFFAOYSA-N 0 0 205.688 3.813 10 0 BHAERN Cc1cc2ccc(Cl)cc2nc1Cl ZINC000020271028 178297777 /nfs/dbraw/zinc/29/77/77/178297777.db2.gz QYWWVQLUBNPSGD-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN COc1cc2cc(C)c(Cl)nc2cc1Cl ZINC000020271055 175026946 /nfs/dbraw/zinc/02/69/46/175026946.db2.gz RJEYCIXKPYVUAQ-UHFFFAOYSA-N 0 0 242.105 3.859 10 0 BHAERN COc1ccc(C)c2cc(C)c(Cl)nc12 ZINC000020271059 175071558 /nfs/dbraw/zinc/07/15/58/175071558.db2.gz XSUXKPDENYFBHX-UHFFFAOYSA-N 0 0 221.687 3.514 10 0 BHAERN S=c1[nH]cc(Cc2ccc(Cl)cc2)s1 ZINC000020272243 188108616 /nfs/dbraw/zinc/10/86/16/188108616.db2.gz YEDPTNNVXQPEHW-UHFFFAOYSA-N 0 0 241.768 3.676 10 0 BHAERN S=c1[nH]cc(Cc2ccccc2Cl)s1 ZINC000020272249 187763195 /nfs/dbraw/zinc/76/31/95/187763195.db2.gz PKOXWJAHVCOJSA-UHFFFAOYSA-N 0 0 241.768 3.676 10 0 BHAERN CC(C)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000020272394 590094709 /nfs/dbraw/zinc/09/47/09/590094709.db2.gz JOIPKERAWQMTME-UHFFFAOYSA-N 0 0 214.264 3.883 10 0 BHAERN Cc1ccc(Oc2ccc(C=O)o2)cc1C ZINC000020274336 178819562 /nfs/dbraw/zinc/81/95/62/178819562.db2.gz IDSGEPSWHCBENT-UHFFFAOYSA-N 0 0 216.236 3.501 10 0 BHAERN O=Cc1ccc(Oc2ccc(Cl)cc2)o1 ZINC000020274342 182869671 /nfs/dbraw/zinc/86/96/71/182869671.db2.gz BYJYRJCRXPSHNE-UHFFFAOYSA-N 0 0 222.627 3.538 10 0 BHAERN Cc1cc(Cl)ccc1Oc1ccc(C=O)o1 ZINC000020274351 178070658 /nfs/dbraw/zinc/07/06/58/178070658.db2.gz JVWPQYQOROBNCB-UHFFFAOYSA-N 0 0 236.654 3.846 10 0 BHAERN Cc1cc(Oc2ncccc2N)cc(C)c1Cl ZINC000020278574 178215548 /nfs/dbraw/zinc/21/55/48/178215548.db2.gz NKTXGSXKPWIZBE-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN CC(C)c1ccccc1Oc1ncccc1N ZINC000020278589 167645229 /nfs/dbraw/zinc/64/52/29/167645229.db2.gz RWXFGVHVKTWCNU-UHFFFAOYSA-N 0 0 228.295 3.580 10 0 BHAERN CC(C)[C@@H](C)Nc1ccc(C(F)(F)F)cn1 ZINC000020302669 167386014 /nfs/dbraw/zinc/38/60/14/167386014.db2.gz COJSRKULOBAZBL-MRVPVSSYSA-N 0 0 232.249 3.557 10 0 BHAERN CC(C)[C@H](C)Nc1ccc(C(F)(F)F)cn1 ZINC000020302671 356487900 /nfs/dbraw/zinc/48/79/00/356487900.db2.gz COJSRKULOBAZBL-QMMMGPOBSA-N 0 0 232.249 3.557 10 0 BHAERN CC(C)[C@@H](C)Nc1ncc(Cl)cc1Cl ZINC000020302684 259394150 /nfs/dbraw/zinc/39/41/50/259394150.db2.gz IBZRPUQYWVMMKH-SSDOTTSWSA-N 0 0 233.142 3.845 10 0 BHAERN CC(C)[C@H](C)Nc1ncc(Cl)cc1Cl ZINC000020302686 259394077 /nfs/dbraw/zinc/39/40/77/259394077.db2.gz IBZRPUQYWVMMKH-ZETCQYMHSA-N 0 0 233.142 3.845 10 0 BHAERN CC(C)[C@@H](C)Nc1ccc2ccccc2n1 ZINC000020302688 167387316 /nfs/dbraw/zinc/38/73/16/167387316.db2.gz CQJHJQSRRHJTDH-LLVKDONJSA-N 0 0 214.312 3.691 10 0 BHAERN CC(C)[C@H](C)Nc1ccc2ccccc2n1 ZINC000020302690 188232363 /nfs/dbraw/zinc/23/23/63/188232363.db2.gz CQJHJQSRRHJTDH-NSHDSACASA-N 0 0 214.312 3.691 10 0 BHAERN CC(C)[C@@H](C)Nc1nc2ccccc2s1 ZINC000020305726 167388461 /nfs/dbraw/zinc/38/84/61/167388461.db2.gz UWQXEJFJJLNODK-SECBINFHSA-N 0 0 220.341 3.753 10 0 BHAERN CC(C)[C@H](C)Nc1nc2ccccc2s1 ZINC000020305727 188352766 /nfs/dbraw/zinc/35/27/66/188352766.db2.gz UWQXEJFJJLNODK-VIFPVBQESA-N 0 0 220.341 3.753 10 0 BHAERN CCCCc1ccc(Nc2ncccc2N)cc1 ZINC000020317498 169021662 /nfs/dbraw/zinc/02/16/62/169021662.db2.gz SSCIPYFAKNGSNQ-UHFFFAOYSA-N 0 0 241.338 3.750 10 0 BHAERN CC(C)c1ccc(Nc2ncccc2N)cc1 ZINC000020317631 346782252 /nfs/dbraw/zinc/78/22/52/346782252.db2.gz QDASFKVKLKXVRL-UHFFFAOYSA-N 0 0 227.311 3.531 10 0 BHAERN Nc1cccnc1Nc1cccc2ccccc21 ZINC000020317784 342982049 /nfs/dbraw/zinc/98/20/49/342982049.db2.gz QIOBHOPNRXUCOG-UHFFFAOYSA-N 0 0 235.290 3.561 10 0 BHAERN CCCCn1nc(NCc2ccccc2)cc1C ZINC000020350527 169038395 /nfs/dbraw/zinc/03/83/95/169038395.db2.gz KCEIKXSFAAHNDR-UHFFFAOYSA-N 0 0 243.354 3.604 10 0 BHAERN Cc1cccc(COc2ccc(N)cc2Cl)c1 ZINC000020351959 187253811 /nfs/dbraw/zinc/25/38/11/187253811.db2.gz YCWKUJZNZVGJRH-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN CCC1CCC(Oc2ccc(F)cc2N)CC1 ZINC000020352148 168523663 /nfs/dbraw/zinc/52/36/63/168523663.db2.gz MVOYBAKDDXNIFZ-UHFFFAOYSA-N 0 0 237.318 3.756 10 0 BHAERN Cc1cccc(COc2c(N)cccc2Cl)c1 ZINC000020353511 179103433 /nfs/dbraw/zinc/10/34/33/179103433.db2.gz YTCFABLBBWXUOP-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN CC(C)c1ccccc1NCc1cccn1C ZINC000020359208 259394495 /nfs/dbraw/zinc/39/44/95/259394495.db2.gz XTOHACQOIOECQE-UHFFFAOYSA-N 0 0 228.339 3.761 10 0 BHAERN CC(C)CCNc1ccc(F)c(Cl)c1 ZINC000020359231 166868528 /nfs/dbraw/zinc/86/85/28/166868528.db2.gz KRMCKRIWXIAAQD-UHFFFAOYSA-N 0 0 215.699 3.937 10 0 BHAERN CCCCCCNc1cc(C)ccc1OC ZINC000020359247 168670554 /nfs/dbraw/zinc/67/05/54/168670554.db2.gz GLCCHFXZTPTHBS-UHFFFAOYSA-N 0 0 221.344 3.996 10 0 BHAERN Fc1cccc(F)c1NCC1CCCCC1 ZINC000020359476 181000710 /nfs/dbraw/zinc/00/07/10/181000710.db2.gz RSGPNCJMBJCQHP-UHFFFAOYSA-N 0 0 225.282 3.957 10 0 BHAERN Cc1ccc(NCCc2ccccc2)c(F)c1 ZINC000020359897 178760354 /nfs/dbraw/zinc/76/03/54/178760354.db2.gz YGTISPYEHJZQHR-UHFFFAOYSA-N 0 0 229.298 3.789 10 0 BHAERN COc1ccccc1CNc1c(F)cccc1F ZINC000020361226 175331089 /nfs/dbraw/zinc/33/10/89/175331089.db2.gz QIXAXRWTZLJWGA-UHFFFAOYSA-N 0 0 249.260 3.586 10 0 BHAERN N[C@H](c1cc2ccccc2o1)c1ccccc1F ZINC000020369145 181630334 /nfs/dbraw/zinc/63/03/34/181630334.db2.gz DCDGBQVUBMELHW-HNNXBMFYSA-N 0 0 241.265 3.620 10 0 BHAERN CC(C)(C)c1ccccc1Oc1ccncc1N ZINC000020370552 343140560 /nfs/dbraw/zinc/14/05/60/343140560.db2.gz VAJYBGIQXFKPJA-UHFFFAOYSA-N 0 0 242.322 3.754 10 0 BHAERN CCC[C@@H](C)CNc1ccc(C)cc1F ZINC000020371229 169360688 /nfs/dbraw/zinc/36/06/88/169360688.db2.gz IWFKKMDOPOHZNX-LLVKDONJSA-N 0 0 209.308 3.982 10 0 BHAERN Cc1ccc(N[C@H](C)CC(C)C)c(F)c1 ZINC000020372018 259395222 /nfs/dbraw/zinc/39/52/22/259395222.db2.gz ANZFJHGWYMVBPU-LLVKDONJSA-N 0 0 209.308 3.981 10 0 BHAERN Cc1ccc(N[C@@H](C)CC(C)C)c(F)c1 ZINC000020372023 259399040 /nfs/dbraw/zinc/39/90/40/259399040.db2.gz ANZFJHGWYMVBPU-NSHDSACASA-N 0 0 209.308 3.981 10 0 BHAERN CCC(CC)CNc1ccc(C)cc1F ZINC000020372161 168364628 /nfs/dbraw/zinc/36/46/28/168364628.db2.gz ZNIAVPPOUQFLSD-UHFFFAOYSA-N 0 0 209.308 3.982 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(N)cc1Cl ZINC000020383697 176081703 /nfs/dbraw/zinc/08/17/03/176081703.db2.gz VWDVZERCKGXQAH-SKDRFNHKSA-N 0 0 238.762 3.913 10 0 BHAERN C[C@H]1CCCC[C@@H]1Nc1ccc(N)cc1Cl ZINC000020383701 177083809 /nfs/dbraw/zinc/08/38/09/177083809.db2.gz VWDVZERCKGXQAH-CABZTGNLSA-N 0 0 238.762 3.913 10 0 BHAERN C[C@@H]1CCCC[C@H]1Nc1ccc(N)cc1Cl ZINC000020383705 176089267 /nfs/dbraw/zinc/08/92/67/176089267.db2.gz VWDVZERCKGXQAH-BXKDBHETSA-N 0 0 238.762 3.913 10 0 BHAERN C[C@H]1CCCC[C@H]1Nc1ccc(N)cc1Cl ZINC000020383709 177089564 /nfs/dbraw/zinc/08/95/64/177089564.db2.gz VWDVZERCKGXQAH-JOYOIKCWSA-N 0 0 238.762 3.913 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1N ZINC000020383727 176081756 /nfs/dbraw/zinc/08/17/56/176081756.db2.gz RLYMKSPWACQUOK-SKDRFNHKSA-N 0 0 238.762 3.913 10 0 BHAERN C[C@H]1CCCC[C@@H]1Nc1ccc(Cl)cc1N ZINC000020383731 177083462 /nfs/dbraw/zinc/08/34/62/177083462.db2.gz RLYMKSPWACQUOK-CABZTGNLSA-N 0 0 238.762 3.913 10 0 BHAERN C[C@@H]1CCCC[C@H]1Nc1ccc(Cl)cc1N ZINC000020383734 176089503 /nfs/dbraw/zinc/08/95/03/176089503.db2.gz RLYMKSPWACQUOK-BXKDBHETSA-N 0 0 238.762 3.913 10 0 BHAERN C[C@H]1CCCC[C@H]1Nc1ccc(Cl)cc1N ZINC000020383738 177089577 /nfs/dbraw/zinc/08/95/77/177089577.db2.gz RLYMKSPWACQUOK-JOYOIKCWSA-N 0 0 238.762 3.913 10 0 BHAERN Nc1cccc(-c2ccc(Br)cc2)c1 ZINC000020391158 397963882 /nfs/dbraw/zinc/96/38/82/397963882.db2.gz FZYOAXSSNIJFCY-UHFFFAOYSA-N 0 0 248.123 3.698 10 0 BHAERN Oc1ccc(Oc2cccc(Cl)c2)cc1 ZINC000020391198 183277499 /nfs/dbraw/zinc/27/74/99/183277499.db2.gz HINVSEIUDPOQIP-UHFFFAOYSA-N 0 0 220.655 3.838 10 0 BHAERN Oc1cccc(-c2ccccc2Br)c1 ZINC000020391351 183285470 /nfs/dbraw/zinc/28/54/70/183285470.db2.gz MNOHBTMSOYBXEH-UHFFFAOYSA-N 0 0 249.107 3.822 10 0 BHAERN COC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1 ZINC000020391397 173864321 /nfs/dbraw/zinc/86/43/21/173864321.db2.gz RVWULOQKYNEQIJ-UHFFFAOYSA-N 0 0 240.302 3.757 10 0 BHAERN CC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020392072 188108899 /nfs/dbraw/zinc/10/88/99/188108899.db2.gz CVZDQCNESJWIEE-ZIAGYGMSSA-N 0 0 216.324 3.677 10 0 BHAERN CCCCCOc1ccc([C@@H]2C[C@@H]2[C@@H](C)O)cc1 ZINC000020392175 168730858 /nfs/dbraw/zinc/73/08/58/168730858.db2.gz HHMSQSMCZVIDPL-WQVCFCJDSA-N 0 0 248.366 3.740 10 0 BHAERN CCC[C@@H](C)C(=O)Cc1nc2ccccc2s1 ZINC000020426918 169347709 /nfs/dbraw/zinc/34/77/09/169347709.db2.gz FJJNEVRYQDFBSU-SNVBAGLBSA-N 0 0 247.363 3.844 10 0 BHAERN CC(C)c1ccc(C(=O)Cc2ccccn2)cc1 ZINC000020427234 187253666 /nfs/dbraw/zinc/25/36/66/187253666.db2.gz AZOWTVURWGWNMY-UHFFFAOYSA-N 0 0 239.318 3.630 10 0 BHAERN CCCCC(=O)Cc1ccc2ccccc2n1 ZINC000020427369 187253899 /nfs/dbraw/zinc/25/38/99/187253899.db2.gz UKFYTNDJNCBCDT-UHFFFAOYSA-N 0 0 227.307 3.537 10 0 BHAERN C[C@@H](Nc1ccc(F)c(Cl)c1)C1CC1 ZINC000020429867 584957127 /nfs/dbraw/zinc/95/71/27/584957127.db2.gz DZWONDSXMRAHJX-SSDOTTSWSA-N 0 0 213.683 3.690 10 0 BHAERN C[C@H](Nc1ccc(F)c(Cl)c1)C1CC1 ZINC000020429868 584957090 /nfs/dbraw/zinc/95/70/90/584957090.db2.gz DZWONDSXMRAHJX-ZETCQYMHSA-N 0 0 213.683 3.690 10 0 BHAERN CC(C)CNc1ccc(F)cc1Br ZINC000020430585 167016701 /nfs/dbraw/zinc/01/67/01/167016701.db2.gz PPFPXYIDUIVATF-UHFFFAOYSA-N 0 0 246.123 3.656 10 0 BHAERN C[C@@H]1CCc2nc(-c3ccc(O)cc3)sc2C1 ZINC000020432952 176240293 /nfs/dbraw/zinc/24/02/93/176240293.db2.gz CSTRZKJESPBMLJ-SECBINFHSA-N 0 0 245.347 3.641 10 0 BHAERN C[C@H]1CCc2nc(-c3ccc(O)cc3)sc2C1 ZINC000020432953 177210479 /nfs/dbraw/zinc/21/04/79/177210479.db2.gz CSTRZKJESPBMLJ-VIFPVBQESA-N 0 0 245.347 3.641 10 0 BHAERN C[C@@H]1CCc2nc(-c3cccc(O)c3)sc2C1 ZINC000020432980 176240328 /nfs/dbraw/zinc/24/03/28/176240328.db2.gz BRPRHMQPSCFNPL-SECBINFHSA-N 0 0 245.347 3.641 10 0 BHAERN C[C@H]1CCc2nc(-c3cccc(O)c3)sc2C1 ZINC000020432981 177210194 /nfs/dbraw/zinc/21/01/94/177210194.db2.gz BRPRHMQPSCFNPL-VIFPVBQESA-N 0 0 245.347 3.641 10 0 BHAERN CCN(c1ccccc1C)c1ccccc1CO ZINC000020434954 169943977 /nfs/dbraw/zinc/94/39/77/169943977.db2.gz GUIXCUFBNYQHPP-UHFFFAOYSA-N 0 0 241.334 3.645 10 0 BHAERN Cc1cc(Cl)ccc1Oc1ccc(CO)cc1 ZINC000020435430 178070046 /nfs/dbraw/zinc/07/00/46/178070046.db2.gz QMWQOALTKIYRPE-UHFFFAOYSA-N 0 0 248.709 3.933 10 0 BHAERN Cc1cc(Cl)ccc1Oc1ccccc1CO ZINC000020435432 178069812 /nfs/dbraw/zinc/06/98/12/178069812.db2.gz UMPDXPPEKBHOAH-UHFFFAOYSA-N 0 0 248.709 3.933 10 0 BHAERN Cc1ccc(NCC(F)(F)F)c(Cl)c1 ZINC000020471378 582459822 /nfs/dbraw/zinc/45/98/22/582459822.db2.gz ZUYINNMDZXNNQA-UHFFFAOYSA-N 0 0 223.625 3.623 10 0 BHAERN CCC[C@@H](C)CNc1cc(C)ccc1F ZINC000020471550 169360911 /nfs/dbraw/zinc/36/09/11/169360911.db2.gz PSTGJILUBVVHML-LLVKDONJSA-N 0 0 209.308 3.982 10 0 BHAERN Cc1ccc(F)c(N[C@H](C)CC(C)C)c1 ZINC000020471769 259398136 /nfs/dbraw/zinc/39/81/36/259398136.db2.gz HFZMNNUCMZFKLT-LLVKDONJSA-N 0 0 209.308 3.981 10 0 BHAERN Cc1ccc(F)c(N[C@@H](C)CC(C)C)c1 ZINC000020471770 259397875 /nfs/dbraw/zinc/39/78/75/259397875.db2.gz HFZMNNUCMZFKLT-NSHDSACASA-N 0 0 209.308 3.981 10 0 BHAERN CCC(CC)CNc1cc(C)ccc1F ZINC000020471809 168364875 /nfs/dbraw/zinc/36/48/75/168364875.db2.gz VIHCOWGRDSOPPT-UHFFFAOYSA-N 0 0 209.308 3.982 10 0 BHAERN COc1cccc(Sc2ccc(N)cc2F)c1 ZINC000020474973 175285403 /nfs/dbraw/zinc/28/54/03/175285403.db2.gz UBCKFGANRPCBPX-UHFFFAOYSA-N 0 0 249.310 3.568 10 0 BHAERN CC(C)c1ccc(COc2cccc(N)c2)cc1 ZINC000020475692 167598405 /nfs/dbraw/zinc/59/84/05/167598405.db2.gz CTJCTSCYPSXGLE-UHFFFAOYSA-N 0 0 241.334 3.971 10 0 BHAERN CCC[C@@H](C)CNc1c(F)cccc1F ZINC000020476028 169360674 /nfs/dbraw/zinc/36/06/74/169360674.db2.gz GEWWBAKQQXKRHW-SECBINFHSA-N 0 0 213.271 3.813 10 0 BHAERN CC(C)C[C@@H](C)Nc1c(F)cccc1F ZINC000020476243 259397971 /nfs/dbraw/zinc/39/79/71/259397971.db2.gz UCFPEKUMHPIQFE-SECBINFHSA-N 0 0 213.271 3.811 10 0 BHAERN CC(C)C[C@H](C)Nc1c(F)cccc1F ZINC000020476244 259398128 /nfs/dbraw/zinc/39/81/28/259398128.db2.gz UCFPEKUMHPIQFE-VIFPVBQESA-N 0 0 213.271 3.811 10 0 BHAERN CCC(CC)CNc1c(F)cccc1F ZINC000020476282 168364541 /nfs/dbraw/zinc/36/45/41/168364541.db2.gz HVAKCRYAXILUTC-UHFFFAOYSA-N 0 0 213.271 3.813 10 0 BHAERN COc1ccc(CNc2c(F)cccc2F)cc1 ZINC000020476324 175112682 /nfs/dbraw/zinc/11/26/82/175112682.db2.gz IQJWDODNKPOWCC-UHFFFAOYSA-N 0 0 249.260 3.586 10 0 BHAERN CCCC[C@H](CC)C(=O)Nc1ccc(C)c(N)c1 ZINC000020481711 168995342 /nfs/dbraw/zinc/99/53/42/168995342.db2.gz PPUGJSIWKSJWIH-LBPRGKRZSA-N 0 0 248.370 3.732 10 0 BHAERN CCCC[C@@H](CC)C(=O)N(C)c1ccc(O)cc1 ZINC000020482790 168952418 /nfs/dbraw/zinc/95/24/18/168952418.db2.gz XYLFLBLBIYPSSF-GFCCVEGCSA-N 0 0 249.354 3.571 10 0 BHAERN CCCC[C@H](CC)C(=O)N(C)c1ccc(O)cc1 ZINC000020482792 168993797 /nfs/dbraw/zinc/99/37/97/168993797.db2.gz XYLFLBLBIYPSSF-LBPRGKRZSA-N 0 0 249.354 3.571 10 0 BHAERN CCCCN(CCCC)c1ccccc1N ZINC000020484614 168808396 /nfs/dbraw/zinc/80/83/96/168808396.db2.gz ZWAAKLAHTGGOEJ-UHFFFAOYSA-N 0 0 220.360 3.675 10 0 BHAERN C[C@@H]1CCC[C@@H](Oc2ccc(Cl)cc2N)C1 ZINC000020507268 176124964 /nfs/dbraw/zinc/12/49/64/176124964.db2.gz VVBZTVVHPZXLMT-MWLCHTKSSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@H]1CCC[C@@H](Oc2ccc(Cl)cc2N)C1 ZINC000020507270 177123471 /nfs/dbraw/zinc/12/34/71/177123471.db2.gz VVBZTVVHPZXLMT-GXSJLCMTSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@@H]1CCC[C@H](Oc2ccc(Cl)cc2N)C1 ZINC000020507272 176146032 /nfs/dbraw/zinc/14/60/32/176146032.db2.gz VVBZTVVHPZXLMT-KOLCDFICSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@H]1CCC[C@H](Oc2ccc(Cl)cc2N)C1 ZINC000020507274 177139031 /nfs/dbraw/zinc/13/90/31/177139031.db2.gz VVBZTVVHPZXLMT-ONGXEEELSA-N 0 0 239.746 3.880 10 0 BHAERN CCCCCCOc1cccc(F)c1C(C)=O ZINC000020516946 168673257 /nfs/dbraw/zinc/67/32/57/168673257.db2.gz SWDNATGKDHRNGR-UHFFFAOYSA-N 0 0 238.302 3.987 10 0 BHAERN CC(=O)c1ccccc1O[C@@H]1CCC[C@@H](C)C1 ZINC000020516953 166483241 /nfs/dbraw/zinc/48/32/41/166483241.db2.gz AAPFFPPUANJGBI-DGCLKSJQSA-N 0 0 232.323 3.847 10 0 BHAERN CC(=O)c1ccccc1O[C@H]1CCC[C@H](C)C1 ZINC000020516956 166483762 /nfs/dbraw/zinc/48/37/62/166483762.db2.gz AAPFFPPUANJGBI-AAEUAGOBSA-N 0 0 232.323 3.847 10 0 BHAERN CC(=O)c1ccc(O[C@@H]2CCC[C@@H](C)C2)cc1 ZINC000020516961 188282401 /nfs/dbraw/zinc/28/24/01/188282401.db2.gz QOHQEGMEJVIABI-IAQYHMDHSA-N 0 0 232.323 3.847 10 0 BHAERN CC(=O)c1ccc(O[C@@H]2CCC[C@H](C)C2)cc1 ZINC000020516962 188108493 /nfs/dbraw/zinc/10/84/93/188108493.db2.gz QOHQEGMEJVIABI-XHDPSFHLSA-N 0 0 232.323 3.847 10 0 BHAERN CC(=O)c1ccc(O[C@H]2CCC[C@@H](C)C2)cc1 ZINC000020516963 187936423 /nfs/dbraw/zinc/93/64/23/187936423.db2.gz QOHQEGMEJVIABI-ABAIWWIYSA-N 0 0 232.323 3.847 10 0 BHAERN CC(=O)c1ccc(O[C@H]2CCC[C@H](C)C2)cc1 ZINC000020516964 188108653 /nfs/dbraw/zinc/10/86/53/188108653.db2.gz QOHQEGMEJVIABI-NHYWBVRUSA-N 0 0 232.323 3.847 10 0 BHAERN CC(=O)c1ccc(OC[C@@H]2CC=CC[C@H]2C)cc1 ZINC000020519271 187253733 /nfs/dbraw/zinc/25/37/33/187253733.db2.gz WDJHDDDXDMLJHW-DOMZBBRYSA-N 0 0 244.334 3.870 10 0 BHAERN CC(=O)c1ccc(OC[C@@H]2CC=CC[C@@H]2C)cc1 ZINC000020519273 188282364 /nfs/dbraw/zinc/28/23/64/188282364.db2.gz WDJHDDDXDMLJHW-WFASDCNBSA-N 0 0 244.334 3.870 10 0 BHAERN CCCCCCSc1ccccc1N ZINC000020519804 168672549 /nfs/dbraw/zinc/67/25/49/168672549.db2.gz WFDCNBCXFOUXNZ-UHFFFAOYSA-N 0 0 209.358 3.941 10 0 BHAERN CCCCCCN1CCCc2cc(N)ccc21 ZINC000020519819 132331838 /nfs/dbraw/zinc/33/18/38/132331838.db2.gz KZCJATYXASLHGW-UHFFFAOYSA-N 0 0 232.371 3.602 10 0 BHAERN c1cc2ccc(CNc3ccccc3)cc2[nH]1 ZINC000020523373 384619208 /nfs/dbraw/zinc/61/92/08/384619208.db2.gz CIQXCVIMOLZSHD-UHFFFAOYSA-N 0 0 222.291 3.780 10 0 BHAERN COC(C)(C)C[C@H](C)Nc1cc(C)cc(C)c1 ZINC000020524426 173948197 /nfs/dbraw/zinc/94/81/97/173948197.db2.gz IEYVYOSVBYUUCP-ZDUSSCGKSA-N 0 0 235.371 3.919 10 0 BHAERN CCc1ccc(N[C@@H](C)CC(C)(C)OC)cc1 ZINC000020524431 171821471 /nfs/dbraw/zinc/82/14/71/171821471.db2.gz KWEBJXIQIXHPNN-LBPRGKRZSA-N 0 0 235.371 3.865 10 0 BHAERN CCc1ccc(N[C@H](C)CC(C)(C)OC)cc1 ZINC000020524432 171821773 /nfs/dbraw/zinc/82/17/73/171821773.db2.gz KWEBJXIQIXHPNN-GFCCVEGCSA-N 0 0 235.371 3.865 10 0 BHAERN CC(=O)c1nc(-c2cccc(Cl)c2)oc1C ZINC000020525478 166487641 /nfs/dbraw/zinc/48/76/41/166487641.db2.gz KSDFZPWFAOPAHX-UHFFFAOYSA-N 0 0 235.670 3.506 10 0 BHAERN Fc1cccc(NCCCc2ccccc2)c1 ZINC000020546226 181002343 /nfs/dbraw/zinc/00/23/43/181002343.db2.gz ZCJQVVPYVDALAF-UHFFFAOYSA-N 0 0 229.298 3.870 10 0 BHAERN CCC(CC)CNc1ccc(F)cc1C ZINC000020546767 168366169 /nfs/dbraw/zinc/36/61/69/168366169.db2.gz DVTVEQOCFWOSHC-UHFFFAOYSA-N 0 0 209.308 3.982 10 0 BHAERN Fc1ccccc1NCCCc1ccccc1 ZINC000020546817 181014642 /nfs/dbraw/zinc/01/46/42/181014642.db2.gz VSYLRDHZUFIEPZ-UHFFFAOYSA-N 0 0 229.298 3.870 10 0 BHAERN Cc1cc(C)cc(NCCc2ccccc2)c1 ZINC000020546840 590120851 /nfs/dbraw/zinc/12/08/51/590120851.db2.gz IGFJGSLNVMCHRH-UHFFFAOYSA-N 0 0 225.335 3.958 10 0 BHAERN CC1(C)Cc2[nH]c3ccc(Cl)cc3c2C(=O)C1 ZINC000020549124 167883462 /nfs/dbraw/zinc/88/34/62/167883462.db2.gz ZNAVLVIXSFHJCV-UHFFFAOYSA-N 0 0 247.725 3.976 10 0 BHAERN Cc1ccc(N[C@H](C)CC(C)C)cc1F ZINC000020549552 259399825 /nfs/dbraw/zinc/39/98/25/259399825.db2.gz BUAURQNIKVQCDV-LLVKDONJSA-N 0 0 209.308 3.981 10 0 BHAERN Cc1ccc(N[C@@H](C)CC(C)C)cc1F ZINC000020549553 259399756 /nfs/dbraw/zinc/39/97/56/259399756.db2.gz BUAURQNIKVQCDV-NSHDSACASA-N 0 0 209.308 3.981 10 0 BHAERN CCC[C@@H](C)CNc1cc(F)ccc1F ZINC000020552404 169360706 /nfs/dbraw/zinc/36/07/06/169360706.db2.gz FWKQSKZECOFQCC-SECBINFHSA-N 0 0 213.271 3.813 10 0 BHAERN C[C@H]1Cc2ccccc2N1c1ccc(C=O)cc1 ZINC000020554205 177390424 /nfs/dbraw/zinc/39/04/24/177390424.db2.gz SQSOYGQQXVTNAT-LBPRGKRZSA-N 0 0 237.302 3.582 10 0 BHAERN CCC[C@@H](C)CNc1cc(C)ccc1OC ZINC000020555849 169360661 /nfs/dbraw/zinc/36/06/61/169360661.db2.gz OFIUNFPMCOOVKG-GFCCVEGCSA-N 0 0 221.344 3.852 10 0 BHAERN CCC[C@H](C)CNc1cc(C)ccc1OC ZINC000020555851 169483454 /nfs/dbraw/zinc/48/34/54/169483454.db2.gz OFIUNFPMCOOVKG-LBPRGKRZSA-N 0 0 221.344 3.852 10 0 BHAERN Fc1ccc(F)c(NCC2CCCCC2)c1 ZINC000020556438 180975330 /nfs/dbraw/zinc/97/53/30/180975330.db2.gz GLDNQCFSJGBFEO-UHFFFAOYSA-N 0 0 225.282 3.957 10 0 BHAERN CCC(CC)CNc1ccc(F)c(F)c1F ZINC000020557767 168364281 /nfs/dbraw/zinc/36/42/81/168364281.db2.gz DLFRUZJIVPIVCE-UHFFFAOYSA-N 0 0 231.261 3.952 10 0 BHAERN Cc1ccccc1NCC1CCCCC1 ZINC000020559360 179304973 /nfs/dbraw/zinc/30/49/73/179304973.db2.gz UYJICEOWTFDLOR-UHFFFAOYSA-N 0 0 203.329 3.987 10 0 BHAERN Cc1ccc(NCCc2ccccc2)cc1C ZINC000020560964 178759238 /nfs/dbraw/zinc/75/92/38/178759238.db2.gz RVUUXUCTEBKANV-UHFFFAOYSA-N 0 0 225.335 3.958 10 0 BHAERN Cc1cc(F)ccc1NCCc1ccccc1 ZINC000020564704 178089721 /nfs/dbraw/zinc/08/97/21/178089721.db2.gz XSDREAHORBGHJH-UHFFFAOYSA-N 0 0 229.298 3.789 10 0 BHAERN S=c1[nH]ccn1-c1ccc(Cl)c(Cl)c1 ZINC000020581035 183315141 /nfs/dbraw/zinc/31/51/41/183315141.db2.gz WCPFZSGPPLDJIN-UHFFFAOYSA-N 0 0 245.134 3.842 10 0 BHAERN S=c1[nH]ccn1-c1ccc(Cl)cc1Cl ZINC000020581059 183315166 /nfs/dbraw/zinc/31/51/66/183315166.db2.gz HPHQOLNJUZGYEQ-UHFFFAOYSA-N 0 0 245.134 3.842 10 0 BHAERN S=c1[nH]ccn1-c1cc(Cl)cc(Cl)c1 ZINC000020581062 183314718 /nfs/dbraw/zinc/31/47/18/183314718.db2.gz FVVUIOJHJHSXDB-UHFFFAOYSA-N 0 0 245.134 3.842 10 0 BHAERN S=c1[nH]c2ccccc2n1C1CCCC1 ZINC000020584437 183313752 /nfs/dbraw/zinc/31/37/52/183313752.db2.gz OCVCTHMLQJEOBD-UHFFFAOYSA-N 0 0 218.325 3.814 10 0 BHAERN COc1ccc(Nc2ccc(N)cc2Cl)cc1 ZINC000020584603 175156243 /nfs/dbraw/zinc/15/62/43/175156243.db2.gz WDMZNNHOPYFHIZ-UHFFFAOYSA-N 0 0 248.713 3.674 10 0 BHAERN COc1ccc(Nc2ccc(Cl)cc2N)cc1 ZINC000020584605 175156127 /nfs/dbraw/zinc/15/61/27/175156127.db2.gz DDJBOLQRVULTTG-UHFFFAOYSA-N 0 0 248.713 3.674 10 0 BHAERN CCC(C)(C)Nc1ccc(C(F)(F)F)cc1N ZINC000020584621 168303516 /nfs/dbraw/zinc/30/35/16/168303516.db2.gz ASGJVEHTRXCHFE-UHFFFAOYSA-N 0 0 246.276 3.888 10 0 BHAERN CSc1ccc(Nc2ccc(N)cc2F)cc1 ZINC000020585073 187253739 /nfs/dbraw/zinc/25/37/39/187253739.db2.gz OZKTZRUPKZPCGI-UHFFFAOYSA-N 0 0 248.326 3.873 10 0 BHAERN Cc1ccc(C)c(Nc2ccc(N)cc2F)c1 ZINC000020585464 178486286 /nfs/dbraw/zinc/48/62/86/178486286.db2.gz RHWYZSLJNOUCFY-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1ccc(Nc2ccc(F)cc2N)c(C)c1 ZINC000020585477 178781301 /nfs/dbraw/zinc/78/13/01/178781301.db2.gz XVKOWJLFBBZHJU-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1cc(C)cc(Nc2ccc(N)cc2F)c1 ZINC000020585607 177910425 /nfs/dbraw/zinc/91/04/25/177910425.db2.gz GQSOFVUGNFWQMN-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1ccc(F)cc1Nc1ccc(N)cc1F ZINC000020585620 178692153 /nfs/dbraw/zinc/69/21/53/178692153.db2.gz UBJOFAZMDNURLN-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Cc1ccc(F)cc1Nc1ccc(F)cc1N ZINC000020585625 178692796 /nfs/dbraw/zinc/69/27/96/178692796.db2.gz JLWCDARPKIGDKP-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Cc1cccc(Nc2ccc(N)cc2F)c1C ZINC000020585729 179158903 /nfs/dbraw/zinc/15/89/03/179158903.db2.gz BDMSXCOHWAKGFL-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1cccc(Nc2ccc(F)cc2N)c1C ZINC000020585735 179159252 /nfs/dbraw/zinc/15/92/52/179159252.db2.gz CEYGKKVDBJIEKF-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1ccc(Nc2ccc(N)cc2Cl)cc1 ZINC000020585751 136277559 /nfs/dbraw/zinc/27/75/59/136277559.db2.gz FJYJUJAUDBGXJH-UHFFFAOYSA-N 0 0 232.714 3.974 10 0 BHAERN Cc1ccc(Nc2ccc(Cl)cc2N)cc1 ZINC000020585752 342991781 /nfs/dbraw/zinc/99/17/81/342991781.db2.gz ORAKEYMKJGBSRW-UHFFFAOYSA-N 0 0 232.714 3.974 10 0 BHAERN Cc1ccc(Nc2ccc(F)cc2N)c(F)c1 ZINC000020585790 178781203 /nfs/dbraw/zinc/78/12/03/178781203.db2.gz JIOPKLLNVRBIAY-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN CC(C)c1cccc(Nc2ncccc2N)c1 ZINC000020585938 167633272 /nfs/dbraw/zinc/63/32/72/167633272.db2.gz KNMMSAGOPOUCAJ-UHFFFAOYSA-N 0 0 227.311 3.531 10 0 BHAERN Fc1cccc(-n2c3ccccc3[nH]c2=S)c1 ZINC000020585950 180993666 /nfs/dbraw/zinc/99/36/66/180993666.db2.gz URWCMODGBYRFBH-UHFFFAOYSA-N 0 0 244.294 3.827 10 0 BHAERN Fc1ccccc1-n1c2ccccc2[nH]c1=S ZINC000020586008 181010745 /nfs/dbraw/zinc/01/07/45/181010745.db2.gz IQHLFHKACCSWIB-UHFFFAOYSA-N 0 0 244.294 3.827 10 0 BHAERN Cc1ccccc1-n1c2ccccc2[nH]c1=S ZINC000020586030 179241728 /nfs/dbraw/zinc/24/17/28/179241728.db2.gz TWRSBXFIJFSVLQ-UHFFFAOYSA-N 0 0 240.331 3.997 10 0 BHAERN CC(C)CCC(=O)N(C)CCCC1CCCC1 ZINC000020601190 371304689 /nfs/dbraw/zinc/30/46/89/371304689.db2.gz VGBUQSZMNJYMNH-UHFFFAOYSA-N 0 0 239.403 3.851 10 0 BHAERN Cc1cc(C)c(C)c(Oc2ccc(Cl)nn2)c1 ZINC000020849510 388782933 /nfs/dbraw/zinc/78/29/33/388782933.db2.gz DHOGABJWPJSWPA-UHFFFAOYSA-N 0 0 248.713 3.848 10 0 BHAERN Cc1ccc2c(c1)NC[C@@H](CC1CCCC1)O2 ZINC000020867062 178947529 /nfs/dbraw/zinc/94/75/29/178947529.db2.gz SDIROXDRRLWLEN-CYBMUJFWSA-N 0 0 231.339 3.748 10 0 BHAERN CCc1cccc(NC2CCCCC2)c1 ZINC000021011791 384645769 /nfs/dbraw/zinc/64/57/69/384645769.db2.gz QXGRWCOMSGTMML-UHFFFAOYSA-N 0 0 203.329 3.994 10 0 BHAERN CCC(CC)CNc1cc(F)ccc1F ZINC000021012441 168364967 /nfs/dbraw/zinc/36/49/67/168364967.db2.gz YNRHQKQDZCLCKK-UHFFFAOYSA-N 0 0 213.271 3.813 10 0 BHAERN CCC(CC)CNc1ccc(F)c(F)c1 ZINC000021014076 168365307 /nfs/dbraw/zinc/36/53/07/168365307.db2.gz BLHPXPYKYSPYTH-UHFFFAOYSA-N 0 0 213.271 3.813 10 0 BHAERN CCC[C@@H](C)CNc1ccc(OC)cc1 ZINC000021017151 169361112 /nfs/dbraw/zinc/36/11/12/169361112.db2.gz FTNFPGVAFKWXHP-LLVKDONJSA-N 0 0 207.317 3.543 10 0 BHAERN CCC[C@H](C)CNc1ccc(OC)cc1 ZINC000021017155 384646525 /nfs/dbraw/zinc/64/65/25/384646525.db2.gz FTNFPGVAFKWXHP-NSHDSACASA-N 0 0 207.317 3.543 10 0 BHAERN C/C=C/C=C/CC(=O)Nc1ccccc1OCC ZINC000021022356 187253855 /nfs/dbraw/zinc/25/38/55/187253855.db2.gz KPHWATMYLLJEIU-TWTPFVCWSA-N 0 0 245.322 3.546 10 0 BHAERN Oc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000021023038 183266376 /nfs/dbraw/zinc/26/63/76/183266376.db2.gz OLCHPSBGCJIERI-UHFFFAOYSA-N 0 0 245.665 3.854 10 0 BHAERN Oc1cccc(-c2nc3cc(Cl)ccc3o2)c1 ZINC000021023052 183288449 /nfs/dbraw/zinc/28/84/49/183288449.db2.gz KVUSQJBYNFBITI-UHFFFAOYSA-N 0 0 245.665 3.854 10 0 BHAERN Cc1ccc2oc(-c3cccc(O)c3)nc2c1 ZINC000021023057 347518197 /nfs/dbraw/zinc/51/81/97/347518197.db2.gz PHKWFNLOKDYBIL-UHFFFAOYSA-N 0 0 225.247 3.509 10 0 BHAERN Cc1ccc2nc(-c3cccc(O)c3)oc2c1 ZINC000021023065 187254233 /nfs/dbraw/zinc/25/42/33/187254233.db2.gz UUJPYAXZVHVWHA-UHFFFAOYSA-N 0 0 225.247 3.509 10 0 BHAERN CCOc1ccc(N[C@@H](C)CC(C)C)cc1 ZINC000021025786 643067133 /nfs/dbraw/zinc/06/71/33/643067133.db2.gz FDTAKVRQZOARHL-LBPRGKRZSA-N 0 0 221.344 3.932 10 0 BHAERN CCOc1ccc(N[C@H](C)CC(C)C)cc1 ZINC000021025794 643068709 /nfs/dbraw/zinc/06/87/09/643068709.db2.gz FDTAKVRQZOARHL-GFCCVEGCSA-N 0 0 221.344 3.932 10 0 BHAERN CC(C)C[C@@H](C)Nc1cc(F)ccc1F ZINC000021026642 386212746 /nfs/dbraw/zinc/21/27/46/386212746.db2.gz INNZNVVYQCWLCC-SECBINFHSA-N 0 0 213.271 3.811 10 0 BHAERN CC(C)C[C@H](C)Nc1cc(F)ccc1F ZINC000021026648 386212427 /nfs/dbraw/zinc/21/24/27/386212427.db2.gz INNZNVVYQCWLCC-VIFPVBQESA-N 0 0 213.271 3.811 10 0 BHAERN CC[C@H](C[C@@H](C)CC)Nc1ccc(OC)nc1 ZINC000021027963 171296401 /nfs/dbraw/zinc/29/64/01/171296401.db2.gz BDNDIKVDUNQJRO-NWDGAFQWSA-N 0 0 236.359 3.717 10 0 BHAERN CC[C@H](C)C[C@H](CC)Nc1ccc(OC)nc1 ZINC000021027978 171299198 /nfs/dbraw/zinc/29/91/98/171299198.db2.gz BDNDIKVDUNQJRO-RYUDHWBXSA-N 0 0 236.359 3.717 10 0 BHAERN CC(C)C[C@@H](C)Nc1ccc(F)c(F)c1F ZINC000021028868 386215693 /nfs/dbraw/zinc/21/56/93/386215693.db2.gz UDTGRIGMLQUXLI-MRVPVSSYSA-N 0 0 231.261 3.950 10 0 BHAERN CC(C)C[C@H](C)Nc1ccc(F)c(F)c1F ZINC000021028875 386214644 /nfs/dbraw/zinc/21/46/44/386214644.db2.gz UDTGRIGMLQUXLI-QMMMGPOBSA-N 0 0 231.261 3.950 10 0 BHAERN CCC[C@@H](C)CNc1ccc(F)cc1C ZINC000021030397 169361101 /nfs/dbraw/zinc/36/11/01/169361101.db2.gz VWJDDVMZWWWXFF-SNVBAGLBSA-N 0 0 209.308 3.982 10 0 BHAERN CCC[C@H](C)CNc1ccc(F)cc1C ZINC000021030404 169483267 /nfs/dbraw/zinc/48/32/67/169483267.db2.gz VWJDDVMZWWWXFF-JTQLQIEISA-N 0 0 209.308 3.982 10 0 BHAERN Cc1cccc(NCCc2ccccc2)c1C ZINC000021031114 179146900 /nfs/dbraw/zinc/14/69/00/179146900.db2.gz VOSGWFQKMBLNBA-UHFFFAOYSA-N 0 0 225.335 3.958 10 0 BHAERN CCC(CC)CNc1ccc(F)cc1F ZINC000021057768 168365767 /nfs/dbraw/zinc/36/57/67/168365767.db2.gz SRKTWJMFMSDLRD-UHFFFAOYSA-N 0 0 213.271 3.813 10 0 BHAERN c1ccc(CCNc2ccc3c(c2)CCC3)cc1 ZINC000021061407 590164977 /nfs/dbraw/zinc/16/49/77/590164977.db2.gz FAERQWRPJBFULD-UHFFFAOYSA-N 0 0 237.346 3.830 10 0 BHAERN Cc1ccccc1[C@@H](C)NC(=O)c1cccs1 ZINC000021321674 179319869 /nfs/dbraw/zinc/31/98/69/179319869.db2.gz WKMXZDZUIVMTSH-LLVKDONJSA-N 0 0 245.347 3.548 10 0 BHAERN Cc1ccccc1[C@H](C)NC(=O)c1cccs1 ZINC000021321681 179337464 /nfs/dbraw/zinc/33/74/64/179337464.db2.gz WKMXZDZUIVMTSH-NSHDSACASA-N 0 0 245.347 3.548 10 0 BHAERN Cc1csc(N[C@H](C)c2ccccc2)n1 ZINC000021501990 179790599 /nfs/dbraw/zinc/79/05/99/179790599.db2.gz XLECPSPVLDSJFW-SNVBAGLBSA-N 0 0 218.325 3.625 10 0 BHAERN Cc1csc(N[C@@H](C)c2ccccc2)n1 ZINC000021501992 179789222 /nfs/dbraw/zinc/78/92/22/179789222.db2.gz XLECPSPVLDSJFW-JTQLQIEISA-N 0 0 218.325 3.625 10 0 BHAERN Cc1cc(F)ccc1N[C@H](C)CC(C)C ZINC000021505589 386479855 /nfs/dbraw/zinc/47/98/55/386479855.db2.gz LVXLVFNDJLMQFR-LLVKDONJSA-N 0 0 209.308 3.981 10 0 BHAERN Cc1cc(F)ccc1N[C@@H](C)CC(C)C ZINC000021505591 386479103 /nfs/dbraw/zinc/47/91/03/386479103.db2.gz LVXLVFNDJLMQFR-NSHDSACASA-N 0 0 209.308 3.981 10 0 BHAERN CCCNc1ccnc2cc(Cl)ccc21 ZINC000021508163 169295560 /nfs/dbraw/zinc/29/55/60/169295560.db2.gz MDGLBILIYIVOHI-UHFFFAOYSA-N 0 0 220.703 3.710 10 0 BHAERN FC(F)(F)CNc1ccc(Cl)c(Cl)c1 ZINC000021509060 180885872 /nfs/dbraw/zinc/88/58/72/180885872.db2.gz FUDOWFNDTPDTBL-UHFFFAOYSA-N 0 0 244.043 3.968 10 0 BHAERN CCCCCNc1ccc2c(c1)OC(F)(F)O2 ZINC000021509470 168722509 /nfs/dbraw/zinc/72/25/09/168722509.db2.gz UAIPETAHXNAXCH-UHFFFAOYSA-N 0 0 243.253 3.610 10 0 BHAERN Cc1ccc(C)c(NCCc2ccccc2)c1 ZINC000021510008 590191770 /nfs/dbraw/zinc/19/17/70/590191770.db2.gz QMTWQBOOOOWMGI-UHFFFAOYSA-N 0 0 225.335 3.958 10 0 BHAERN CCC[C@@H](C)Nc1cnc2c(cnn2C(C)C)c1 ZINC000021517363 169372235 /nfs/dbraw/zinc/37/22/35/169372235.db2.gz WMWMVBQEXYVTQB-LLVKDONJSA-N 0 0 246.358 3.613 10 0 BHAERN CCC[C@H](C)Nc1cnc2c(cnn2C(C)C)c1 ZINC000021517364 169494512 /nfs/dbraw/zinc/49/45/12/169494512.db2.gz WMWMVBQEXYVTQB-NSHDSACASA-N 0 0 246.358 3.613 10 0 BHAERN CC[C@@H](C)[C@@H](C)Nc1cc(OC)ccc1OC ZINC000021518227 170774796 /nfs/dbraw/zinc/77/47/96/170774796.db2.gz GZAFJNPTLOPPNU-GHMZBOCLSA-N 0 0 237.343 3.550 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1cc(OC)ccc1OC ZINC000021518228 171367469 /nfs/dbraw/zinc/36/74/69/171367469.db2.gz GZAFJNPTLOPPNU-WDEREUQCSA-N 0 0 237.343 3.550 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1cc(OC)ccc1OC ZINC000021518230 171391266 /nfs/dbraw/zinc/39/12/66/171391266.db2.gz GZAFJNPTLOPPNU-QWRGUYRKSA-N 0 0 237.343 3.550 10 0 BHAERN CCCNc1cc(Cl)ccc1Cl ZINC000021518802 169293501 /nfs/dbraw/zinc/29/35/01/169293501.db2.gz NPVIGXYTXRZLCW-UHFFFAOYSA-N 0 0 204.100 3.815 10 0 BHAERN FC(F)(F)CNc1ccc(Cl)cc1Cl ZINC000021519587 180885821 /nfs/dbraw/zinc/88/58/21/180885821.db2.gz AFGKCHAFYBAZLT-UHFFFAOYSA-N 0 0 244.043 3.968 10 0 BHAERN CC(=O)c1ccc(N2CCCCCCC2)cc1 ZINC000021519810 166461288 /nfs/dbraw/zinc/46/12/88/166461288.db2.gz PSSILPYPIHLDCD-UHFFFAOYSA-N 0 0 231.339 3.660 10 0 BHAERN CCC[C@@H](C)CNc1ccc(F)c(F)c1 ZINC000021519918 169361138 /nfs/dbraw/zinc/36/11/38/169361138.db2.gz OUBOVYLGVFVCDI-SECBINFHSA-N 0 0 213.271 3.813 10 0 BHAERN Cc1csc(NCc2ccccc2Cl)n1 ZINC000021520405 179788565 /nfs/dbraw/zinc/78/85/65/179788565.db2.gz NVWRSSVHXILBPV-UHFFFAOYSA-N 0 0 238.743 3.717 10 0 BHAERN Cc1ccc(NCCc2ccccc2)c(C)c1 ZINC000021520970 590193515 /nfs/dbraw/zinc/19/35/15/590193515.db2.gz CGBXXUDCDNWBLJ-UHFFFAOYSA-N 0 0 225.335 3.958 10 0 BHAERN Cc1cc(C)c([C@H](C)NCC(F)(F)F)cc1C ZINC000021790441 177873749 /nfs/dbraw/zinc/87/37/49/177873749.db2.gz RRWZSNCCAPXBLB-NSHDSACASA-N 0 0 245.288 3.825 10 0 BHAERN CCc1cccc(NCCc2ccccc2)c1 ZINC000021790998 590229973 /nfs/dbraw/zinc/22/99/73/590229973.db2.gz KRHAEPCZSBGADI-UHFFFAOYSA-N 0 0 225.335 3.904 10 0 BHAERN CCC[C@@H](C)CNc1ccc(F)cc1F ZINC000021793381 169361192 /nfs/dbraw/zinc/36/11/92/169361192.db2.gz TZEGNEITSJKITB-SECBINFHSA-N 0 0 213.271 3.813 10 0 BHAERN CCC[C@H](C)CNc1ccc(F)cc1F ZINC000021793385 169483196 /nfs/dbraw/zinc/48/31/96/169483196.db2.gz TZEGNEITSJKITB-VIFPVBQESA-N 0 0 213.271 3.813 10 0 BHAERN COc1ccc(C)cc1NCC1CCCCC1 ZINC000021800019 175078340 /nfs/dbraw/zinc/07/83/40/175078340.db2.gz DBRDXWHGBBOSHG-UHFFFAOYSA-N 0 0 233.355 3.996 10 0 BHAERN Cc1nn(C)c(C)c1N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021801176 385704414 /nfs/dbraw/zinc/70/44/14/385704414.db2.gz SJVVUCCKHMQJMB-ZWNOBZJWSA-N 0 0 249.402 3.664 10 0 BHAERN Cc1nn(C)c(C)c1N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000021801178 259423798 /nfs/dbraw/zinc/42/37/98/259423798.db2.gz SJVVUCCKHMQJMB-GXFFZTMASA-N 0 0 249.402 3.664 10 0 BHAERN Cc1nn(C)c(C)c1N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021801181 385703451 /nfs/dbraw/zinc/70/34/51/385703451.db2.gz SJVVUCCKHMQJMB-MFKMUULPSA-N 0 0 249.402 3.664 10 0 BHAERN Cc1nn(C)c(C)c1N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000021801184 385703637 /nfs/dbraw/zinc/70/36/37/385703637.db2.gz SJVVUCCKHMQJMB-GWCFXTLKSA-N 0 0 249.402 3.664 10 0 BHAERN CCC[C@@H](C)CNc1ccccc1OCC ZINC000021801908 169361712 /nfs/dbraw/zinc/36/17/12/169361712.db2.gz SXWBJHQYTQMOGM-GFCCVEGCSA-N 0 0 221.344 3.933 10 0 BHAERN CCC[C@@H](C)CNc1ccc(F)c(F)c1F ZINC000021802386 169360530 /nfs/dbraw/zinc/36/05/30/169360530.db2.gz NRLGWFDHKFEDCK-MRVPVSSYSA-N 0 0 231.261 3.952 10 0 BHAERN FC(F)(F)CNc1cc(Cl)ccc1Cl ZINC000021804594 180884879 /nfs/dbraw/zinc/88/48/79/180884879.db2.gz ALOPPYUURPIYKK-UHFFFAOYSA-N 0 0 244.043 3.968 10 0 BHAERN CCC[C@@H](C)CNc1ccc2c(c1)OCCCO2 ZINC000021804716 169361119 /nfs/dbraw/zinc/36/11/19/169361119.db2.gz ZKQAYKAOISQPFV-GFCCVEGCSA-N 0 0 249.354 3.696 10 0 BHAERN CCC[C@H](C)CNc1ccc2c(c1)OCCCO2 ZINC000021804718 169483155 /nfs/dbraw/zinc/48/31/55/169483155.db2.gz ZKQAYKAOISQPFV-LBPRGKRZSA-N 0 0 249.354 3.696 10 0 BHAERN COc1ccc(NC2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000021804977 175149171 /nfs/dbraw/zinc/14/91/71/175149171.db2.gz NTDZEAQINOKYNX-RYUDHWBXSA-N 0 0 233.355 3.932 10 0 BHAERN COc1ccc(NC2[C@H](C)CCC[C@@H]2C)cc1 ZINC000021804980 175149686 /nfs/dbraw/zinc/14/96/86/175149686.db2.gz NTDZEAQINOKYNX-ODOQXGPZSA-N 0 0 233.355 3.932 10 0 BHAERN COc1ccc(NC2[C@H](C)CCC[C@H]2C)cc1 ZINC000021804984 175149487 /nfs/dbraw/zinc/14/94/87/175149487.db2.gz NTDZEAQINOKYNX-VXGBXAGGSA-N 0 0 233.355 3.932 10 0 BHAERN FC(F)(F)CNc1cccc(Cl)c1Cl ZINC000021805285 582459989 /nfs/dbraw/zinc/45/99/89/582459989.db2.gz LLMUDGHNGOQSIR-UHFFFAOYSA-N 0 0 244.043 3.968 10 0 BHAERN COc1ccc(C)cc1N[C@@H](C)CC(C)C ZINC000021805313 323100929 /nfs/dbraw/zinc/10/09/29/323100929.db2.gz WOBGPQUVZJOYEX-LBPRGKRZSA-N 0 0 221.344 3.850 10 0 BHAERN COc1ccc(C)cc1N[C@H](C)CC(C)C ZINC000021805315 323100951 /nfs/dbraw/zinc/10/09/51/323100951.db2.gz WOBGPQUVZJOYEX-GFCCVEGCSA-N 0 0 221.344 3.850 10 0 BHAERN Cc1cccc(NCC2CCCCC2)c1 ZINC000021809803 179144212 /nfs/dbraw/zinc/14/42/12/179144212.db2.gz IAUNOOPLIDGLNL-UHFFFAOYSA-N 0 0 203.329 3.987 10 0 BHAERN CCc1ccccc1NCCc1ccccc1 ZINC000021812090 590235538 /nfs/dbraw/zinc/23/55/38/590235538.db2.gz GEBNOWLXVCFENR-UHFFFAOYSA-N 0 0 225.335 3.904 10 0 BHAERN CCC[C@@H](C)CNc1ccc(OCC)cc1 ZINC000021812358 169361058 /nfs/dbraw/zinc/36/10/58/169361058.db2.gz UKMCGCRHUPHEMI-GFCCVEGCSA-N 0 0 221.344 3.933 10 0 BHAERN CCC(CC)CNc1cc(C)ccc1OC ZINC000021813084 168365351 /nfs/dbraw/zinc/36/53/51/168365351.db2.gz NORHBZGKXFNZFN-UHFFFAOYSA-N 0 0 221.344 3.852 10 0 BHAERN Cc1ccc(F)cc1NCCc1ccccc1 ZINC000021813087 590235217 /nfs/dbraw/zinc/23/52/17/590235217.db2.gz NLFITMXOVBDEBF-UHFFFAOYSA-N 0 0 229.298 3.789 10 0 BHAERN CCOc1ccccc1N[C@@H](C)CC(C)C ZINC000021815214 385716679 /nfs/dbraw/zinc/71/66/79/385716679.db2.gz OLNQCOAZUHZHOZ-LBPRGKRZSA-N 0 0 221.344 3.932 10 0 BHAERN CCOc1ccccc1N[C@H](C)CC(C)C ZINC000021815216 385717284 /nfs/dbraw/zinc/71/72/84/385717284.db2.gz OLNQCOAZUHZHOZ-GFCCVEGCSA-N 0 0 221.344 3.932 10 0 BHAERN CCC[C@@H](C)CNc1cc(F)cc(F)c1 ZINC000021816664 169360923 /nfs/dbraw/zinc/36/09/23/169360923.db2.gz AJQYPIBUFYPZSH-SECBINFHSA-N 0 0 213.271 3.813 10 0 BHAERN CCC(CC)CNc1ccc(C)c(F)c1 ZINC000021817785 168364276 /nfs/dbraw/zinc/36/42/76/168364276.db2.gz YHPBKEBTYWBYSF-UHFFFAOYSA-N 0 0 209.308 3.982 10 0 BHAERN Nc1ccc(-c2cccs2)cc1Cl ZINC000021950691 343823947 /nfs/dbraw/zinc/82/39/47/343823947.db2.gz RHJAKKHJYJHIMV-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN CCC(=O)c1cccc(-c2ccccc2)c1 ZINC000021950912 168257439 /nfs/dbraw/zinc/25/74/39/168257439.db2.gz UWSZEAAIPZTRHC-UHFFFAOYSA-N 0 0 210.276 3.946 10 0 BHAERN Nc1cccc(Oc2ccc3ccccc3n2)c1 ZINC000021969050 343140293 /nfs/dbraw/zinc/14/02/93/343140293.db2.gz NAWSVIVBGKNRAN-UHFFFAOYSA-N 0 0 236.274 3.609 10 0 BHAERN FC(F)(F)c1cc2ccc(Cl)cc2[nH]1 ZINC000021981611 384712062 /nfs/dbraw/zinc/71/20/62/384712062.db2.gz LCZVFFOPDIBUMF-UHFFFAOYSA-N 0 0 219.593 3.840 10 0 BHAERN O=c1ccc2cc(C3CCCCC3)ccc2[nH]1 ZINC000021987149 183000640 /nfs/dbraw/zinc/00/06/40/183000640.db2.gz XYXJHSBZYWBNFL-UHFFFAOYSA-N 0 0 227.307 3.576 10 0 BHAERN Clc1cccc(Nc2cc(Cl)ncn2)c1 ZINC000021987663 343032501 /nfs/dbraw/zinc/03/25/01/343032501.db2.gz HNMUAQXLESLTKK-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN Cc1cccc(C)c1-n1ncc2ccccc21 ZINC000021988142 179028582 /nfs/dbraw/zinc/02/85/82/179028582.db2.gz POHOFVXAQYTETI-UHFFFAOYSA-N 0 0 222.291 3.642 10 0 BHAERN c1ccc(-n2nc3c4c2cccc4CCC3)cc1 ZINC000021988230 183386459 /nfs/dbraw/zinc/38/64/59/183386459.db2.gz ZITHUEJBBDZLSS-UHFFFAOYSA-N 0 0 234.302 3.514 10 0 BHAERN CCOC(=O)[C@H](Cc1ccccc1)[C@H](C)C(C)C ZINC000021988657 170274151 /nfs/dbraw/zinc/27/41/51/170274151.db2.gz WIIBUCXVJOHFOX-UKRRQHHQSA-N 0 0 248.366 3.701 10 0 BHAERN c1ccc(COc2ccnc3ccccc32)cc1 ZINC000021993146 183407658 /nfs/dbraw/zinc/40/76/58/183407658.db2.gz FIPKVXNSGRJUMC-UHFFFAOYSA-N 0 0 235.286 3.814 10 0 BHAERN Clc1ccc2c(c1)C(c1ccccc1)=NCC2 ZINC000021993580 343235084 /nfs/dbraw/zinc/23/50/84/343235084.db2.gz PNWVMSKFQSFCFB-UHFFFAOYSA-N 0 0 241.721 3.734 10 0 BHAERN O=Cc1cccc(Oc2ccccc2Cl)c1 ZINC000021994839 385886553 /nfs/dbraw/zinc/88/65/53/385886553.db2.gz MQUOQWHXKWQIAX-UHFFFAOYSA-N 0 0 232.666 3.945 10 0 BHAERN COc1ccccc1Nc1ccccc1C ZINC000021995828 175339486 /nfs/dbraw/zinc/33/94/86/175339486.db2.gz WQLIMSZXVOWHKD-UHFFFAOYSA-N 0 0 213.280 3.747 10 0 BHAERN c1ccc(Nc2ccc3ncccc3c2)cc1 ZINC000021995852 386210583 /nfs/dbraw/zinc/21/05/83/386210583.db2.gz KFMFPMHUEYUFAV-UHFFFAOYSA-N 0 0 220.275 3.978 10 0 BHAERN CCCc1nc2c(cccc2OC)cc1CC ZINC000021996305 343032727 /nfs/dbraw/zinc/03/27/27/343032727.db2.gz RBEVCYVDINBJIB-UHFFFAOYSA-N 0 0 229.323 3.758 10 0 BHAERN CCCc1nc2ccc(OC)cc2cc1CC ZINC000021996309 169594844 /nfs/dbraw/zinc/59/48/44/169594844.db2.gz VVVNOWAJUVRIRG-UHFFFAOYSA-N 0 0 229.323 3.758 10 0 BHAERN Cc1cccc(-c2cc(=O)c3ccccc3[nH]2)c1 ZINC000021996415 343235272 /nfs/dbraw/zinc/23/52/72/343235272.db2.gz YWPRRNCISDACME-UHFFFAOYSA-N 0 0 235.286 3.504 10 0 BHAERN CCOC(=O)c1ccc(Nc2ccccc2)cc1 ZINC000021999247 170296960 /nfs/dbraw/zinc/29/69/60/170296960.db2.gz OXXSAXCSHHARKT-UHFFFAOYSA-N 0 0 241.290 3.607 10 0 BHAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([C@@H]1CCC[C@@H](O)C1)C2 ZINC000022000228 168004075 /nfs/dbraw/zinc/00/40/75/168004075.db2.gz IGEVVMFDMLDFFU-PAURTPPISA-N 0 0 236.399 4.000 10 0 BHAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([C@@H]1CCC[C@@H](O)C1)C2 ZINC000022000233 168003742 /nfs/dbraw/zinc/00/37/42/168003742.db2.gz IGEVVMFDMLDFFU-FAHYXWLWSA-N 0 0 236.399 4.000 10 0 BHAERN Cc1c(-c2ccccc2)ncn1C(C)(C)C ZINC000022000779 384723173 /nfs/dbraw/zinc/72/31/73/384723173.db2.gz YOCMPFXUDVLXAR-UHFFFAOYSA-N 0 0 214.312 3.614 10 0 BHAERN COc1ccc([C@@H](C)c2ccccc2)c(O)c1 ZINC000022002728 187763673 /nfs/dbraw/zinc/76/36/73/187763673.db2.gz VQZSDFNNSCIFMR-NSHDSACASA-N 0 0 228.291 3.553 10 0 BHAERN COc1ccc([C@H](C)c2ccccc2)c(O)c1 ZINC000022002733 188463102 /nfs/dbraw/zinc/46/31/02/188463102.db2.gz VQZSDFNNSCIFMR-LLVKDONJSA-N 0 0 228.291 3.553 10 0 BHAERN COc1ccc(OC)c([C@@H](C)c2ccccc2)c1 ZINC000022002739 175166708 /nfs/dbraw/zinc/16/67/08/175166708.db2.gz BMPVTIUOTBXDRZ-LBPRGKRZSA-N 0 0 242.318 3.856 10 0 BHAERN COc1ccc(OC)c([C@H](C)c2ccccc2)c1 ZINC000022002746 175168848 /nfs/dbraw/zinc/16/88/48/175168848.db2.gz BMPVTIUOTBXDRZ-GFCCVEGCSA-N 0 0 242.318 3.856 10 0 BHAERN COC(=O)c1ccc(Nc2ccc(C)cc2)cc1 ZINC000022003868 173886176 /nfs/dbraw/zinc/88/61/76/173886176.db2.gz VXCBNZFZWOSTRQ-UHFFFAOYSA-N 0 0 241.290 3.525 10 0 BHAERN CC(=O)c1ccc(-n2ccc3ccccc32)cc1 ZINC000022003884 166450981 /nfs/dbraw/zinc/45/09/81/166450981.db2.gz JIZRDVMJFIUNLP-UHFFFAOYSA-N 0 0 235.286 3.833 10 0 BHAERN CC(C)(C)C(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000022012213 343035039 /nfs/dbraw/zinc/03/50/39/343035039.db2.gz YWSLSUSMWVPGSE-RYUDHWBXSA-N 0 0 236.355 3.568 10 0 in-vitro BHAERN Cc1ccc([C@@H](O)c2ccc(F)cc2)c(C)c1 ZINC000022059510 384727162 /nfs/dbraw/zinc/72/71/62/384727162.db2.gz NHZCILHYYQVWCB-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 in-vitro BHAERN Cc1ccc([C@H](O)c2ccc(F)cc2)c(C)c1 ZINC000022059514 343037620 /nfs/dbraw/zinc/03/76/20/343037620.db2.gz NHZCILHYYQVWCB-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 in-vitro BHAERN COc1cc(C)c(/C=C/C(C)=C/CO)c(C)c1C ZINC000022062401 343037969 /nfs/dbraw/zinc/03/79/69/343037969.db2.gz PAESCFRMRPPDGE-HRCSPUOPSA-N 0 0 246.350 3.572 10 0 in-vitro BHAERN CN(c1ccccc1)c1ccc(Cl)cc1N ZINC000022141285 397972476 /nfs/dbraw/zinc/97/24/76/397972476.db2.gz YFQKRMFAKXNRPU-UHFFFAOYSA-N 0 0 232.714 3.690 10 0 BHAERN Nc1ccccc1Oc1ccc2ccccc2n1 ZINC000022142801 181757489 /nfs/dbraw/zinc/75/74/89/181757489.db2.gz OMTZQAHVKWWEFW-UHFFFAOYSA-N 0 0 236.274 3.609 10 0 BHAERN CN(c1ccccc1)c1ccc(N)cc1Cl ZINC000022143393 347600341 /nfs/dbraw/zinc/60/03/41/347600341.db2.gz RNBSXWJOVLUYPI-UHFFFAOYSA-N 0 0 232.714 3.690 10 0 BHAERN CC[C@@H]1CCCC[C@@H]1Oc1ccccc1C=O ZINC000022146519 170967923 /nfs/dbraw/zinc/96/79/23/170967923.db2.gz UZXJERIBMNPDJR-OCCSQVGLSA-N 0 0 232.323 3.847 10 0 BHAERN FC(F)(F)CNc1cc(Cl)cc(Cl)c1 ZINC000022147849 518195805 /nfs/dbraw/zinc/19/58/05/518195805.db2.gz STMGXIZOQUSLLR-UHFFFAOYSA-N 0 0 244.043 3.968 10 0 BHAERN CC(C)C[C@@H](C)Nc1ccc(F)c(F)c1 ZINC000022151019 259431292 /nfs/dbraw/zinc/43/12/92/259431292.db2.gz GIJRJJRDESAEHH-SECBINFHSA-N 0 0 213.271 3.811 10 0 BHAERN CC(C)C[C@H](C)Nc1ccc(F)c(F)c1 ZINC000022151023 259431236 /nfs/dbraw/zinc/43/12/36/259431236.db2.gz GIJRJJRDESAEHH-VIFPVBQESA-N 0 0 213.271 3.811 10 0 BHAERN COc1cccc(NC2[C@@H](C)CCC[C@@H]2C)c1 ZINC000022152365 175278576 /nfs/dbraw/zinc/27/85/76/175278576.db2.gz FNMRSDNMIQQHLD-RYUDHWBXSA-N 0 0 233.355 3.932 10 0 BHAERN COc1cccc(NC2[C@H](C)CCC[C@@H]2C)c1 ZINC000022152369 175278474 /nfs/dbraw/zinc/27/84/74/175278474.db2.gz FNMRSDNMIQQHLD-ODOQXGPZSA-N 0 0 233.355 3.932 10 0 BHAERN COc1cccc(NC2[C@H](C)CCC[C@H]2C)c1 ZINC000022152375 175277801 /nfs/dbraw/zinc/27/78/01/175277801.db2.gz FNMRSDNMIQQHLD-VXGBXAGGSA-N 0 0 233.355 3.932 10 0 BHAERN Cc1ccccc1COc1ccc(N)cc1Cl ZINC000022173569 179285467 /nfs/dbraw/zinc/28/54/67/179285467.db2.gz FUWCALLFIRGRLH-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN Cc1ccccc1[C@@H](C)NC(=O)c1ccsc1 ZINC000022645995 179320380 /nfs/dbraw/zinc/32/03/80/179320380.db2.gz ZSVNEFPCKKVSRT-LLVKDONJSA-N 0 0 245.347 3.548 10 0 BHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccsc1 ZINC000022645998 179336705 /nfs/dbraw/zinc/33/67/05/179336705.db2.gz ZSVNEFPCKKVSRT-NSHDSACASA-N 0 0 245.347 3.548 10 0 BHAERN C/C=C/C=C/C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000023693261 633071347 /nfs/dbraw/zinc/07/13/47/633071347.db2.gz ZBPBNVSYWXLKHY-NVLXPRRZSA-N 0 0 249.741 3.650 10 0 BHAERN COc1ccc(-c2ccccc2)cc1C(C)=O ZINC000024550012 343946397 /nfs/dbraw/zinc/94/63/97/343946397.db2.gz WZDGHVXXNVWWIO-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN C=C1C=C(c2ccccc2)Oc2cc(O)ccc21 ZINC000025490039 188271079 /nfs/dbraw/zinc/27/10/79/188271079.db2.gz HWPXGSQAIBQYMF-UHFFFAOYSA-N 0 0 236.270 3.839 10 0 BHAERN c1ccc(Nc2ccc3ccccc3c2)nc1 ZINC000025497055 344039387 /nfs/dbraw/zinc/03/93/87/344039387.db2.gz BEEMTSFIVSXCQT-UHFFFAOYSA-N 0 0 220.275 3.978 10 0 BHAERN CCCCCC(C)(C)c1ccc(O)cc1O ZINC000025669500 353105872 /nfs/dbraw/zinc/10/58/72/353105872.db2.gz IKFKZQCCWZJFIU-UHFFFAOYSA-N 0 0 222.328 3.956 10 0 BHAERN CCCc1cc2c(c(C(C)(C)C)c1O)CCO2 ZINC000025972294 169567660 /nfs/dbraw/zinc/56/76/60/169567660.db2.gz HTEHTQYZVPRSRB-UHFFFAOYSA-N 0 0 234.339 3.577 10 0 BHAERN Cc1c2ccccc2oc1C(=O)N[C@H](C)C(C)C ZINC000025974926 177569087 /nfs/dbraw/zinc/56/90/87/177569087.db2.gz MFTGICRLNVXLIJ-LLVKDONJSA-N 0 0 245.322 3.516 10 0 BHAERN Cc1c2ccccc2oc1C(=O)N[C@@H](C)C(C)C ZINC000025974933 343098466 /nfs/dbraw/zinc/09/84/66/343098466.db2.gz MFTGICRLNVXLIJ-NSHDSACASA-N 0 0 245.322 3.516 10 0 BHAERN Oc1ccc2c(c1)Sc1ccccc1O2 ZINC000026255446 183281836 /nfs/dbraw/zinc/28/18/36/183281836.db2.gz PDDUDFHWSKEIDL-UHFFFAOYSA-N 0 0 216.261 3.649 10 0 BHAERN CCc1cccc2c1[S@](=O)c1ccccc1O2 ZINC000026258691 384571727 /nfs/dbraw/zinc/57/17/27/384571727.db2.gz LOTFYWFSOKVVMS-KRWDZBQOSA-N 0 0 244.315 3.521 10 0 BHAERN CCc1cccc2c1[S@@](=O)c1ccccc1O2 ZINC000026258698 171869594 /nfs/dbraw/zinc/86/95/94/171869594.db2.gz LOTFYWFSOKVVMS-QGZVFWFLSA-N 0 0 244.315 3.521 10 0 BHAERN Cc1ccc(-c2cnc3ccccc3n2)s1 ZINC000026273885 178328586 /nfs/dbraw/zinc/32/85/86/178328586.db2.gz YZFFGZARJYJAMF-UHFFFAOYSA-N 0 0 226.304 3.667 10 0 BHAERN c1[nH]c2ccccc2c1-c1cnc2ccccc2n1 ZINC000026282162 384584610 /nfs/dbraw/zinc/58/46/10/384584610.db2.gz JOQNEXGXXIUQTI-UHFFFAOYSA-N 0 0 245.285 3.778 10 0 BHAERN CCC/C=C/c1ccc(OCC)c(OC)c1 ZINC000026329836 187320367 /nfs/dbraw/zinc/32/03/67/187320367.db2.gz XUXSOSBXWQEVMQ-BQYQJAHWSA-N 0 0 220.312 3.907 10 0 BHAERN COc1ccc(/C=C/C(C)(C)C)cc1OC ZINC000026329848 175047061 /nfs/dbraw/zinc/04/70/61/175047061.db2.gz AUWDJGYGUGGCBW-CMDGGOBGSA-N 0 0 220.312 3.763 10 0 BHAERN Cc1ccccc1Cn1ccc2ccccc21 ZINC000026331316 179294032 /nfs/dbraw/zinc/29/40/32/179294032.db2.gz FHEMFCCACBHGAM-UHFFFAOYSA-N 0 0 221.303 3.998 10 0 BHAERN Cc1[nH]c2ccc(C(F)(F)F)cc2c1C ZINC000026439835 343105245 /nfs/dbraw/zinc/10/52/45/343105245.db2.gz DGZNEPYFRHNSEX-UHFFFAOYSA-N 0 0 213.202 3.804 10 0 BHAERN Cc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1 ZINC000026441437 178328331 /nfs/dbraw/zinc/32/83/31/178328331.db2.gz OHGMPEKTIPMPKW-UHFFFAOYSA-N 0 0 246.313 3.887 10 0 BHAERN CSc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000026441740 357119010 /nfs/dbraw/zinc/11/90/10/357119010.db2.gz ONCWPZRIQVKTRW-UHFFFAOYSA-N 0 0 248.395 3.599 10 0 BHAERN O[C@@H](CSc1ccccc1)c1cccs1 ZINC000026444103 183183221 /nfs/dbraw/zinc/18/32/21/183183221.db2.gz DNSSDDYSMYFRLI-NSHDSACASA-N 0 0 236.361 3.574 10 0 BHAERN O[C@H](CSc1ccccc1)c1cccs1 ZINC000026444106 183227880 /nfs/dbraw/zinc/22/78/80/183227880.db2.gz DNSSDDYSMYFRLI-LLVKDONJSA-N 0 0 236.361 3.574 10 0 BHAERN CCCN(CCC)c1ccc2ccccc2n1 ZINC000026474995 169154485 /nfs/dbraw/zinc/15/44/85/169154485.db2.gz NSHKIGSAABRNSY-UHFFFAOYSA-N 0 0 228.339 3.861 10 0 BHAERN CCOC(=O)/C=C/C[C@@H](C)CCC=C(C)C ZINC000026484874 344145326 /nfs/dbraw/zinc/14/53/26/344145326.db2.gz HJQZEQINYZFGEK-HJTPGIPUSA-N 0 0 224.344 3.878 10 0 BHAERN CCOC(=O)/C=C/C[C@H](C)CCC=C(C)C ZINC000026484881 344145271 /nfs/dbraw/zinc/14/52/71/344145271.db2.gz HJQZEQINYZFGEK-SVTZGKHISA-N 0 0 224.344 3.878 10 0 BHAERN C[C@@H](CCc1ccccc1)n1cc[nH]c1=S ZINC000026494223 343141073 /nfs/dbraw/zinc/14/10/73/343141073.db2.gz IEIJRKFCSJBSPX-NSHDSACASA-N 0 0 232.352 3.739 10 0 BHAERN C[C@H](CCc1ccccc1)n1cc[nH]c1=S ZINC000026494227 343141064 /nfs/dbraw/zinc/14/10/64/343141064.db2.gz IEIJRKFCSJBSPX-LLVKDONJSA-N 0 0 232.352 3.739 10 0 BHAERN C[C@@H](CCn1cc[nH]c1=S)c1ccccc1 ZINC000026495940 343140723 /nfs/dbraw/zinc/14/07/23/343140723.db2.gz GCIDEDGKOLDYKW-NSHDSACASA-N 0 0 232.352 3.739 10 0 BHAERN C[C@H](CCn1cc[nH]c1=S)c1ccccc1 ZINC000026495944 343141076 /nfs/dbraw/zinc/14/10/76/343141076.db2.gz GCIDEDGKOLDYKW-LLVKDONJSA-N 0 0 232.352 3.739 10 0 BHAERN Cc1ccc(-c2cnc3n2CCCCC3)cc1C ZINC000026510114 178329445 /nfs/dbraw/zinc/32/94/45/178329445.db2.gz CQSXLWAFBZDWTJ-UHFFFAOYSA-N 0 0 240.350 3.893 10 0 BHAERN CCCc1noc(N)c1-c1cccc(Cl)c1 ZINC000026512430 169604555 /nfs/dbraw/zinc/60/45/55/169604555.db2.gz IZHPKTFRWNYANI-UHFFFAOYSA-N 0 0 236.702 3.530 10 0 BHAERN CCC(=O)c1ccc(-c2ccco2)cc1 ZINC000026544177 357175582 /nfs/dbraw/zinc/17/55/82/357175582.db2.gz NEAGRDXSAUOQGC-UHFFFAOYSA-N 0 0 200.237 3.539 10 0 BHAERN COc1ccc(/C=C/c2ccccc2)cc1OC ZINC000026577689 175048050 /nfs/dbraw/zinc/04/80/50/175048050.db2.gz BSHIPXLJHQKYFU-CMDGGOBGSA-N 0 0 240.302 3.874 10 0 BHAERN C/C=C/C=C/C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000026621599 636691669 /nfs/dbraw/zinc/69/16/69/636691669.db2.gz LMFUBEFLSSQJBV-KXGOJYIESA-N 0 0 249.741 3.650 10 0 BHAERN C/C=C/C=C/C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000026621605 634429012 /nfs/dbraw/zinc/42/90/12/634429012.db2.gz LMFUBEFLSSQJBV-XXZAKMSKSA-N 0 0 249.741 3.650 10 0 BHAERN O=C(CCCCCc1ccccc1)C(F)(F)F ZINC000026641728 181910526 /nfs/dbraw/zinc/91/05/26/181910526.db2.gz OYIOJJUJKLHWGM-UHFFFAOYSA-N 0 0 244.256 3.921 10 0 in-vivo BHAERN COc1nccnc1CCCCCCC(C)C ZINC000026672334 187764313 /nfs/dbraw/zinc/76/43/13/187764313.db2.gz MKYSVLJFSZTHFH-UHFFFAOYSA-N 0 0 236.359 3.634 10 0 BHAERN CCCCCC[C@@H](C)Cc1nccnc1OC ZINC000026673487 344171719 /nfs/dbraw/zinc/17/17/19/344171719.db2.gz CADMFFVLXVMIIR-GFCCVEGCSA-N 0 0 236.359 3.634 10 0 BHAERN CCCCCC[C@H](C)Cc1nccnc1OC ZINC000026673490 344171797 /nfs/dbraw/zinc/17/17/97/344171797.db2.gz CADMFFVLXVMIIR-LBPRGKRZSA-N 0 0 236.359 3.634 10 0 BHAERN CCSc1cnc(CC[C@H](C)CC)cn1 ZINC000026673908 170657438 /nfs/dbraw/zinc/65/74/38/170657438.db2.gz QZQWVBADXCMJHS-SNVBAGLBSA-N 0 0 224.373 3.567 10 0 BHAERN CCC(C)(C)c1ccc2nc(N)sc2c1 ZINC000026675566 168306161 /nfs/dbraw/zinc/30/61/61/168306161.db2.gz WAXITEJNSIIMJZ-UHFFFAOYSA-N 0 0 220.341 3.566 10 0 BHAERN CC(C)(C)c1cc2c(c(C(C)(C)C)c1O)CCO2 ZINC000026833234 343109910 /nfs/dbraw/zinc/10/99/10/343109910.db2.gz ZJQROHZHGAYXEJ-UHFFFAOYSA-N 0 0 248.366 3.922 10 0 BHAERN Clc1ccc2c(c1)Oc1cccnc1S2 ZINC000026994989 180587290 /nfs/dbraw/zinc/58/72/90/180587290.db2.gz UXZXEVDTBCZASY-UHFFFAOYSA-N 0 0 235.695 3.992 10 0 BHAERN S=C(CNc1ccccc1)Nc1ccccc1 ZINC000027027590 188007681 /nfs/dbraw/zinc/00/76/81/188007681.db2.gz AMQLIIYASVJUSH-UHFFFAOYSA-N 0 0 242.347 3.538 10 0 BHAERN S=C1N=NC(c2ccc(Cl)cc2)N=N1 ZINC000027027769 183312770 /nfs/dbraw/zinc/31/27/70/183312770.db2.gz FEDGWLOULGHNLA-UHFFFAOYSA-N 0 0 224.676 3.542 10 0 BHAERN CCCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000027095797 169300707 /nfs/dbraw/zinc/30/07/07/169300707.db2.gz QXWDAKBZLIENSO-CYBMUJFWSA-N 0 0 248.366 3.942 10 0 BHAERN Clc1ccc(Oc2cccnc2)cc1 ZINC000027100021 180584527 /nfs/dbraw/zinc/58/45/27/180584527.db2.gz RTBYFOOOYQPTRE-UHFFFAOYSA-N 0 0 205.644 3.527 10 0 BHAERN CC(C)n1c2ccccc2c2cc(N)ccc21 ZINC000027108387 343112992 /nfs/dbraw/zinc/11/29/92/343112992.db2.gz VNJADQQAQUDLRQ-UHFFFAOYSA-N 0 0 224.307 3.958 10 0 BHAERN Br/C=C/c1ccc2ccccc2n1 ZINC000027184971 166093258 /nfs/dbraw/zinc/09/32/58/166093258.db2.gz KRKTYQUSRQFVQW-BQYQJAHWSA-N 0 0 234.096 3.600 10 0 BHAERN Oc1c(Cc2ccncc2)ccc2ccccc21 ZINC000027194159 183253784 /nfs/dbraw/zinc/25/37/84/183253784.db2.gz VMEXOJDBHGJJSS-UHFFFAOYSA-N 0 0 235.286 3.531 10 0 BHAERN CC(C)(C)c1ccc2ccccc2c1O ZINC000027199438 188537576 /nfs/dbraw/zinc/53/75/76/188537576.db2.gz PZERHTYUARNDEK-UHFFFAOYSA-N 0 0 200.281 3.843 10 0 BHAERN Oc1c(Cc2cccnc2)ccc2ccccc21 ZINC000027199679 183253781 /nfs/dbraw/zinc/25/37/81/183253781.db2.gz OFHSFXQHQJBJKO-UHFFFAOYSA-N 0 0 235.286 3.531 10 0 BHAERN Oc1c(Cc2ccco2)ccc2ccccc21 ZINC000027201418 183253771 /nfs/dbraw/zinc/25/37/71/183253771.db2.gz SXGZZKOBTKWQQC-UHFFFAOYSA-N 0 0 224.259 3.729 10 0 BHAERN Oc1c(Cc2ccccn2)ccc2ccccc21 ZINC000027206373 183253769 /nfs/dbraw/zinc/25/37/69/183253769.db2.gz YIGKMZOWTGFGST-UHFFFAOYSA-N 0 0 235.286 3.531 10 0 BHAERN Cc1cccc2c1ccn2CCC(C)C ZINC000027519383 179225688 /nfs/dbraw/zinc/22/56/88/179225688.db2.gz JFCZDOUYRWSQSR-UHFFFAOYSA-N 0 0 201.313 3.996 10 0 BHAERN Cc1ccc2ccn(CCC(C)C)c2c1 ZINC000027519385 178971975 /nfs/dbraw/zinc/97/19/75/178971975.db2.gz PACCFUOVGUNDLQ-UHFFFAOYSA-N 0 0 201.313 3.996 10 0 BHAERN COc1ccc2c(ccn2CCC(C)C)c1 ZINC000027519387 175222509 /nfs/dbraw/zinc/22/25/09/175222509.db2.gz MLPXLTJKAKXORW-UHFFFAOYSA-N 0 0 217.312 3.696 10 0 BHAERN Cc1[nH]c(-c2ccccc2C)nc1-c1cccnc1 ZINC000027521234 179238220 /nfs/dbraw/zinc/23/82/20/179238220.db2.gz DVAYOJHBOJCMGA-UHFFFAOYSA-N 0 0 249.317 3.756 10 0 BHAERN Cc1cccc2oc(-c3ccccc3)cc(=O)c12 ZINC000027552600 179232965 /nfs/dbraw/zinc/23/29/65/179232965.db2.gz TYTMPFULNYIHDN-UHFFFAOYSA-N 0 0 236.270 3.768 10 0 BHAERN Cc1ccc2c(c1)oc(-c1ccccc1)cc2=O ZINC000027555324 343120995 /nfs/dbraw/zinc/12/09/95/343120995.db2.gz BOOZKYVPJBHUHK-UHFFFAOYSA-N 0 0 236.270 3.768 10 0 BHAERN Cc1ccn2c(CSC3CCCC3)cnc2c1 ZINC000027559454 384072129 /nfs/dbraw/zinc/07/21/29/384072129.db2.gz QSEVSHMIZRBMLD-UHFFFAOYSA-N 0 0 246.379 3.819 10 0 BHAERN CN1c2ccccc2S[C@@H]1c1ccc(O)cc1 ZINC000027586772 173208407 /nfs/dbraw/zinc/20/84/07/173208407.db2.gz DOOQNBIXUFRTRI-CQSZACIVSA-N 0 0 243.331 3.633 10 0 BHAERN CN1c2ccccc2S[C@H]1c1ccc(O)cc1 ZINC000027586778 173208164 /nfs/dbraw/zinc/20/81/64/173208164.db2.gz DOOQNBIXUFRTRI-AWEZNQCLSA-N 0 0 243.331 3.633 10 0 BHAERN Cn1c2ccc3ccccc3c2nc1-c1ccc[nH]1 ZINC000027657601 344283892 /nfs/dbraw/zinc/28/38/92/344283892.db2.gz WZYORCPSPQCEPW-UHFFFAOYSA-N 0 0 247.301 3.722 10 0 BHAERN c1ccc2c(c1)oc1c2CCN2CCCC[C@@H]12 ZINC000027732376 384176700 /nfs/dbraw/zinc/17/67/00/384176700.db2.gz WVLAAGBGTBJXIQ-ZDUSSCGKSA-N 0 0 227.307 3.516 10 0 BHAERN c1ccc2c(c1)oc1c2CCN2CCCC[C@H]12 ZINC000027732383 384175707 /nfs/dbraw/zinc/17/57/07/384175707.db2.gz WVLAAGBGTBJXIQ-CYBMUJFWSA-N 0 0 227.307 3.516 10 0 BHAERN CCCNC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000027747550 169240438 /nfs/dbraw/zinc/24/04/38/169240438.db2.gz XNWVKJXAONKXRJ-NSHDSACASA-N 0 0 234.343 3.732 10 0 BHAERN CCCNC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000027747558 169239911 /nfs/dbraw/zinc/23/99/11/169239911.db2.gz XNWVKJXAONKXRJ-LLVKDONJSA-N 0 0 234.343 3.732 10 0 BHAERN Cc1ccc2[nH]c(-c3cccc(Cl)n3)nc2c1 ZINC000027852378 344313217 /nfs/dbraw/zinc/31/32/17/344313217.db2.gz SGRROLNFTHHROU-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN Cc1ccc2[nH]c(-c3ccc(C)c(C)n3)nc2c1 ZINC000027858838 187320504 /nfs/dbraw/zinc/32/05/04/187320504.db2.gz NTZPSEHRTKQLKT-UHFFFAOYSA-N 0 0 237.306 3.550 10 0 BHAERN Fc1cc(F)cc(Cc2ccc[nH]c2=S)c1 ZINC000027877232 180953424 /nfs/dbraw/zinc/95/34/24/180953424.db2.gz RUCRONFTFMVKGR-UHFFFAOYSA-N 0 0 237.274 3.613 10 0 BHAERN C(=C/c1ccncc1)\c1c[nH]c2ccccc12 ZINC000027899422 166226531 /nfs/dbraw/zinc/22/65/31/166226531.db2.gz GWFLOYNQTNXGOJ-AATRIKPKSA-N 0 0 220.275 3.733 10 0 BHAERN [O-][n+]1ccc(/C=C/c2cccc3ccccc23)cc1 ZINC000027903798 183318700 /nfs/dbraw/zinc/31/87/00/183318700.db2.gz VXMSGLUONIVAFU-CMDGGOBGSA-N 0 0 247.297 3.644 10 0 BHAERN Fc1ccc2[nH]cc(/C=C/c3cccnc3)c2c1 ZINC000027984257 344323836 /nfs/dbraw/zinc/32/38/36/344323836.db2.gz WPABSLYILGSEFI-ONEGZZNKSA-N 0 0 238.265 3.872 10 0 BHAERN CCCCc1nc2cc(C)c(C)cc2[nH]1 ZINC000027991121 169027129 /nfs/dbraw/zinc/02/71/29/169027129.db2.gz JIQLFCSJXKTQKP-UHFFFAOYSA-N 0 0 202.301 3.522 10 0 BHAERN C(=C/c1ccccn1)\c1c[nH]c2ccccc12 ZINC000027993232 166226837 /nfs/dbraw/zinc/22/68/37/166226837.db2.gz OZPYZRJHDWCCQM-CMDGGOBGSA-N 0 0 220.275 3.733 10 0 BHAERN C(=C/c1cccnc1)\c1c[nH]c2ccccc12 ZINC000027993238 166226739 /nfs/dbraw/zinc/22/67/39/166226739.db2.gz XEGNKAULPJNZHP-BQYQJAHWSA-N 0 0 220.275 3.733 10 0 BHAERN COc1ccc(O)c(CSc2ccccc2)c1 ZINC000027998105 175158560 /nfs/dbraw/zinc/15/85/60/175158560.db2.gz AIOQIGOQLVEMRD-UHFFFAOYSA-N 0 0 246.331 3.693 10 0 BHAERN CNc1ccc(Sc2ccccc2)cc1 ZINC000028002635 384280572 /nfs/dbraw/zinc/28/05/72/384280572.db2.gz RPPNNTBEYGLDRA-UHFFFAOYSA-N 0 0 215.321 3.880 10 0 BHAERN COc1ccc(O)c(C/C=C/c2ccccc2)c1 ZINC000028003783 175157802 /nfs/dbraw/zinc/15/78/02/175157802.db2.gz ANOINEJMMUGSIY-VMPITWQZSA-N 0 0 240.302 3.657 10 0 BHAERN COc1ccccc1/C=C/c1cccc(O)c1 ZINC000028118988 175314939 /nfs/dbraw/zinc/31/49/39/175314939.db2.gz BBUUAZWMLBYHPP-MDZDMXLPSA-N 0 0 226.275 3.571 10 0 BHAERN Oc1ccccc1/C=C/c1ccc(F)c(F)c1 ZINC000028119332 183300782 /nfs/dbraw/zinc/30/07/82/183300782.db2.gz ZTWNLNYJDCMSFF-FNORWQNLSA-N 0 0 232.229 3.841 10 0 BHAERN Oc1cccc(/C=C/c2ccccc2F)c1 ZINC000028119337 183287714 /nfs/dbraw/zinc/28/77/14/183287714.db2.gz WQMDDBKTRAUFSS-CMDGGOBGSA-N 0 0 214.239 3.702 10 0 BHAERN Oc1cccc(/C=C/c2ccc(F)c(F)c2)c1 ZINC000028127027 183287950 /nfs/dbraw/zinc/28/79/50/183287950.db2.gz WCDKKNOOJDZLBV-SNAWJCMRSA-N 0 0 232.229 3.841 10 0 BHAERN c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000028221927 183421021 /nfs/dbraw/zinc/42/10/21/183421021.db2.gz MARJKKBMAPXHAK-UHFFFAOYSA-N 0 0 235.286 3.814 10 0 BHAERN CC(C)c1ccc([C@@H](C)NC(=O)C2CCC2)cc1 ZINC000028574669 386752757 /nfs/dbraw/zinc/75/27/57/386752757.db2.gz XTYBMFPXHCZEEU-GFCCVEGCSA-N 0 0 245.366 3.787 10 0 BHAERN CC(C)c1ccc([C@H](C)NC(=O)C2CCC2)cc1 ZINC000028574670 386752025 /nfs/dbraw/zinc/75/20/25/386752025.db2.gz XTYBMFPXHCZEEU-LBPRGKRZSA-N 0 0 245.366 3.787 10 0 BHAERN C[C@]12CCCC(C)(C)[C@H]3[C@H](CC[C@H]31)[C@@H]2CCO ZINC000028645583 344380624 /nfs/dbraw/zinc/38/06/24/344380624.db2.gz ZZRJRBHQEYRVDV-YMSVYLFOSA-N 0 0 236.399 3.857 10 0 BHAERN Cc1ccc2sc(-c3ccccc3)nc2n1 ZINC000028710070 343131587 /nfs/dbraw/zinc/13/15/87/343131587.db2.gz LZPMSZOFUOETTM-UHFFFAOYSA-N 0 0 226.304 3.667 10 0 BHAERN COc1ccc(/C=C/c2ccccc2OC)cc1 ZINC000028712368 175047991 /nfs/dbraw/zinc/04/79/91/175047991.db2.gz JWDKGOAVRJBMNS-JXMROGBWSA-N 0 0 240.302 3.874 10 0 BHAERN COc1ccc(/C=C/c2ccccc2O)cc1 ZINC000028712375 175048002 /nfs/dbraw/zinc/04/80/02/175048002.db2.gz UKDLGNUAFAIABY-RMKNXTFCSA-N 0 0 226.275 3.571 10 0 BHAERN COc1ccc(/C=C/c2cccc(O)c2)cc1 ZINC000028712379 175048218 /nfs/dbraw/zinc/04/82/18/175048218.db2.gz PGUWMMWBXKRYFT-AATRIKPKSA-N 0 0 226.275 3.571 10 0 BHAERN CCCc1cccc(C(=O)c2ccccc2)c1O ZINC000028759822 188110465 /nfs/dbraw/zinc/11/04/65/188110465.db2.gz DEDYLFIXLIFBAN-UHFFFAOYSA-N 0 0 240.302 3.576 10 0 BHAERN CCc1ccc(Cc2ccc(F)cc2)c(O)c1 ZINC000028761158 384641299 /nfs/dbraw/zinc/64/12/99/384641299.db2.gz JSNRRHJHPCGDIB-UHFFFAOYSA-N 0 0 230.282 3.685 10 0 BHAERN Cc1cc(-c2ccccc2F)cc(C)n1 ZINC000028761537 344413521 /nfs/dbraw/zinc/41/35/21/344413521.db2.gz YGUOWKBREYDEOC-UHFFFAOYSA-N 0 0 201.244 3.505 10 0 BHAERN CCc1ccc(O)c(Cc2ccc(C)cc2)c1 ZINC000028762205 384643242 /nfs/dbraw/zinc/64/32/42/384643242.db2.gz MVDVWBSMQGXDLX-UHFFFAOYSA-N 0 0 226.319 3.854 10 0 BHAERN CCc1ccc(O)c(Cc2ccccc2)c1 ZINC000028762406 384643883 /nfs/dbraw/zinc/64/38/83/384643883.db2.gz WCHGZXILWXVPLO-UHFFFAOYSA-N 0 0 212.292 3.545 10 0 BHAERN O=Cc1c2ccccc2oc1-c1ccccc1 ZINC000028816821 384660684 /nfs/dbraw/zinc/66/06/84/384660684.db2.gz SFYGTWAUBYYUNK-UHFFFAOYSA-N 0 0 222.243 3.912 10 0 BHAERN Fc1cccc2[nH]cc(-c3ccccc3)c21 ZINC000028866230 181003697 /nfs/dbraw/zinc/00/36/97/181003697.db2.gz OBEWNMTYXYWLTG-UHFFFAOYSA-N 0 0 211.239 3.974 10 0 BHAERN O=C1CCCc2cc(-c3cccc(O)c3)ccc21 ZINC000029056357 344464340 /nfs/dbraw/zinc/46/43/40/344464340.db2.gz AGJHSJLDWGVYAA-UHFFFAOYSA-N 0 0 238.286 3.578 10 0 BHAERN O=C1CCCc2cc(-c3ccc(O)cc3)ccc21 ZINC000029123366 344474408 /nfs/dbraw/zinc/47/44/08/344474408.db2.gz NBXFNIUSTYUSRR-UHFFFAOYSA-N 0 0 238.286 3.578 10 0 BHAERN COc1ccc(-c2ccc(C(C)=O)cc2)c(C)c1 ZINC000029123552 175032974 /nfs/dbraw/zinc/03/29/74/175032974.db2.gz LDIULNNDXNQRLW-UHFFFAOYSA-N 0 0 240.302 3.873 10 0 BHAERN CCCCCCNc1ccc(C(=O)OCC)cc1 ZINC000029205730 168669672 /nfs/dbraw/zinc/66/96/72/168669672.db2.gz QGKMIOPBDSQNBK-UHFFFAOYSA-N 0 0 249.354 3.856 10 0 BHAERN Cc1c2ccc(O)cc2[nH]c1-c1ccc(O)cc1 ZINC000029226007 344507913 /nfs/dbraw/zinc/50/79/13/344507913.db2.gz SNQMGZUEZQHEDB-UHFFFAOYSA-N 0 0 239.274 3.555 10 0 BHAERN Cc1c2cc(O)ccc2[nH]c1-c1ccc(O)cc1 ZINC000029227916 344507958 /nfs/dbraw/zinc/50/79/58/344507958.db2.gz OLSDYZLJXRSMAZ-UHFFFAOYSA-N 0 0 239.274 3.555 10 0 BHAERN CC[C@H]1c2ccc(-c3ccccc3)cc2OC1=O ZINC000029247685 344515368 /nfs/dbraw/zinc/51/53/68/344515368.db2.gz YWJCIGFTHQCRKY-ZDUSSCGKSA-N 0 0 238.286 3.766 10 0 BHAERN Cc1cc2c(cc1C1CCCCC1)OC(=O)C2 ZINC000029248100 178287571 /nfs/dbraw/zinc/28/75/71/178287571.db2.gz KVDBCJNAYVLNHC-UHFFFAOYSA-N 0 0 230.307 3.504 10 0 BHAERN C[C@@H]1c2ccc(C3CCCCC3)cc2OC1=O ZINC000029248674 177060445 /nfs/dbraw/zinc/06/04/45/177060445.db2.gz CMNLHACLIMGETM-SNVBAGLBSA-N 0 0 230.307 3.757 10 0 BHAERN CC[C@@H]1Oc2c(c(C)c(O)c(C)c2C)S1 ZINC000029317454 171153188 /nfs/dbraw/zinc/15/31/88/171153188.db2.gz UTFGGZTUXSAAEH-SECBINFHSA-N 0 0 224.325 3.538 10 0 BHAERN CC[C@H]1Oc2c(c(C)c(O)c(C)c2C)S1 ZINC000029317459 171683837 /nfs/dbraw/zinc/68/38/37/171683837.db2.gz UTFGGZTUXSAAEH-VIFPVBQESA-N 0 0 224.325 3.538 10 0 BHAERN COc1cc2c(cc1C)-c1ccccc1CC2 ZINC000029333835 175021911 /nfs/dbraw/zinc/02/19/11/175021911.db2.gz OYQPJTATQNVJCA-UHFFFAOYSA-N 0 0 224.303 3.769 10 0 BHAERN Oc1ccc2nc(-c3ccccc3)sc2c1 ZINC000029413288 183285781 /nfs/dbraw/zinc/28/57/81/183285781.db2.gz QCYZKBYUZYTYEC-UHFFFAOYSA-N 0 0 227.288 3.669 10 0 BHAERN c1ccc(COc2cccc3cnccc32)cc1 ZINC000029548306 383996133 /nfs/dbraw/zinc/99/61/33/383996133.db2.gz KADVOJZKYIJXOL-UHFFFAOYSA-N 0 0 235.286 3.814 10 0 BHAERN Cc1cc(/C=C/c2cccnc2)cc(C)c1O ZINC000029549991 177699201 /nfs/dbraw/zinc/69/92/01/177699201.db2.gz OXVGPNSHQAHDRW-AATRIKPKSA-N 0 0 225.291 3.574 10 0 BHAERN Cc1cc(/C=C/c2ccccn2)cc(C)c1O ZINC000029551097 344668937 /nfs/dbraw/zinc/66/89/37/344668937.db2.gz FDAUKGHWWDPCEV-VOTSOKGWSA-N 0 0 225.291 3.574 10 0 BHAERN Cc1cc(CCc2ccc(F)cc2)cc(C)c1O ZINC000029554755 344672774 /nfs/dbraw/zinc/67/27/74/344672774.db2.gz MMOZIIXKKMXNHL-UHFFFAOYSA-N 0 0 244.309 3.933 10 0 BHAERN CC(C)(Cc1ccccc1)c1cccnc1 ZINC000029556563 344672763 /nfs/dbraw/zinc/67/27/63/344672763.db2.gz MSUUKPGKCBHOAJ-UHFFFAOYSA-N 0 0 211.308 3.602 10 0 in-vivo BHAERN Cc1cc(CCc2cccs2)cc(C)c1O ZINC000029556595 344672400 /nfs/dbraw/zinc/67/24/00/344672400.db2.gz OBKRPALMDDZEEB-UHFFFAOYSA-N 0 0 232.348 3.856 10 0 BHAERN Cc1cc(/C=C/c2ccncc2)cc(C)c1O ZINC000029557869 344672311 /nfs/dbraw/zinc/67/23/11/344672311.db2.gz NCQKHEJJKLSOGH-ONEGZZNKSA-N 0 0 225.291 3.574 10 0 BHAERN Cc1cccc2c1ccn2C(=O)OC(C)(C)C ZINC000030677774 179225157 /nfs/dbraw/zinc/22/51/57/179225157.db2.gz IBUNEDHIIDXECP-UHFFFAOYSA-N 0 0 231.295 3.733 10 0 BHAERN CC1=C2C/C=C(\C)CC/C=C(\C)C[C@@H]2OC1=O ZINC000030726907 168090347 /nfs/dbraw/zinc/09/03/47/168090347.db2.gz SLGKCOCDZZQQLY-HSLDFMSTSA-N 0 0 232.323 3.695 10 0 biogenic,in-vitro BHAERN Oc1ccc2c(c1)C=Cc1ccccc1N2 ZINC000030731219 384229162 /nfs/dbraw/zinc/22/91/62/384229162.db2.gz FKCUOSGTQJAUQX-UHFFFAOYSA-N 0 0 209.248 3.620 10 0 world BHAERN CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO ZINC000031160272 168121602 /nfs/dbraw/zinc/12/16/02/168121602.db2.gz HMWSKUKBAWWOJL-KCQAQPDRSA-N 0 0 222.372 3.778 10 0 in-vitro BHAERN CC1=CC[C@@H](CC[C@H](C)[C@H](C)O)C1(C)C ZINC000031350801 168118166 /nfs/dbraw/zinc/11/81/66/168118166.db2.gz NGYMOTOXXHCHOC-WCFLWFBJSA-N 0 0 210.361 3.776 10 0 BHAERN CC1=CC[C@@H](CC[C@@H](C)[C@H](C)O)C1(C)C ZINC000031350804 168117461 /nfs/dbraw/zinc/11/74/61/168117461.db2.gz NGYMOTOXXHCHOC-KGYLQXTDSA-N 0 0 210.361 3.776 10 0 BHAERN CC1(C)[C@H]2CC[C@]1(C)[C@@H](C1CCC(O)CC1)C2 ZINC000031351996 168010784 /nfs/dbraw/zinc/01/07/84/168010784.db2.gz LFHQKYSBKVWWOS-SVSFFLDXSA-N 0 0 236.399 4.000 10 0 BHAERN CC(C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000031403566 166723446 /nfs/dbraw/zinc/72/34/46/166723446.db2.gz AYFIBMYHBBRQLD-LBPRGKRZSA-N 0 0 241.334 3.673 10 0 BHAERN CC(C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000031403570 343218569 /nfs/dbraw/zinc/21/85/69/343218569.db2.gz AYFIBMYHBBRQLD-GFCCVEGCSA-N 0 0 241.334 3.673 10 0 BHAERN c1nc(C(c2ccccc2)c2ccccc2)c[nH]1 ZINC000031555215 183387297 /nfs/dbraw/zinc/38/72/97/183387297.db2.gz BEQGFWRTESSGOM-UHFFFAOYSA-N 0 0 234.302 3.590 10 0 BHAERN Cc1ccc(C2=NO[C@H]3c4ccccc4C[C@H]23)cc1 ZINC000031573511 345581396 /nfs/dbraw/zinc/58/13/96/345581396.db2.gz CTOXHRZUUTVAFF-WBVHZDCISA-N 0 0 249.313 3.643 10 0 BHAERN Cc1ccc(C2=NO[C@@H]3c4ccccc4C[C@H]23)cc1 ZINC000031573516 343221130 /nfs/dbraw/zinc/22/11/30/343221130.db2.gz CTOXHRZUUTVAFF-NVXWUHKLSA-N 0 0 249.313 3.643 10 0 BHAERN Cc1ccc(C2=NO[C@H]3c4ccccc4C[C@@H]23)cc1 ZINC000031573521 345581257 /nfs/dbraw/zinc/58/12/57/345581257.db2.gz CTOXHRZUUTVAFF-RDJZCZTQSA-N 0 0 249.313 3.643 10 0 BHAERN Cc1ccc(C2=NO[C@@H]3c4ccccc4C[C@@H]23)cc1 ZINC000031573525 345581483 /nfs/dbraw/zinc/58/14/83/345581483.db2.gz CTOXHRZUUTVAFF-DOTOQJQBSA-N 0 0 249.313 3.643 10 0 BHAERN CC(C)(C)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000031623183 188110786 /nfs/dbraw/zinc/11/07/86/188110786.db2.gz AOWYBSYMYIAJEV-UHFFFAOYSA-N 0 0 242.244 3.879 10 0 BHAERN CC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000031829266 188357724 /nfs/dbraw/zinc/35/77/24/188357724.db2.gz CVZDQCNESJWIEE-UONOGXRCSA-N 0 0 216.324 3.677 10 0 BHAERN Clc1cc(Cl)c2c(c1)NCCCC2 ZINC000031889030 180574714 /nfs/dbraw/zinc/57/47/14/180574714.db2.gz WGUIVIFDOGZEKW-UHFFFAOYSA-N 0 0 216.111 3.742 10 0 BHAERN CCCC(=O)c1cc(Cl)ccc1Cl ZINC000031893501 343225823 /nfs/dbraw/zinc/22/58/23/343225823.db2.gz QIKNDJNXGJPRAC-UHFFFAOYSA-N 0 0 217.095 3.976 10 0 BHAERN Fc1ccc(-c2nc3ccccc3[nH]2)c(F)c1F ZINC000031943786 180958840 /nfs/dbraw/zinc/95/88/40/180958840.db2.gz JGSABUZWLMFVFW-UHFFFAOYSA-N 0 0 248.207 3.647 10 0 BHAERN Cc1cc2nc(Cc3cccs3)[nH]c2cc1C ZINC000031943811 178301956 /nfs/dbraw/zinc/30/19/56/178301956.db2.gz LCMCZJONYYYALQ-UHFFFAOYSA-N 0 0 242.347 3.832 10 0 BHAERN Clc1cc2nc(C3CC3)[nH]c2cc1Cl ZINC000031943956 343142184 /nfs/dbraw/zinc/14/21/84/343142184.db2.gz LHUUWTZLUNLJFG-UHFFFAOYSA-N 0 0 227.094 3.747 10 0 BHAERN CNc1ccc(O[C@H]2CCC[C@@H](C)C2)cc1 ZINC000031979960 173480364 /nfs/dbraw/zinc/48/03/64/173480364.db2.gz HIBNVKZLFWTVRZ-RISCZKNCSA-N 0 0 219.328 3.686 10 0 BHAERN CNc1ccc(O[C@@H]2CCC[C@H](C)C2)cc1 ZINC000031979961 173480576 /nfs/dbraw/zinc/48/05/76/173480576.db2.gz HIBNVKZLFWTVRZ-SMDDNHRTSA-N 0 0 219.328 3.686 10 0 BHAERN Cc1cc(O[C@@H]2CCC[C@@H](C)C2)ccc1N ZINC000031980119 178213508 /nfs/dbraw/zinc/21/35/08/178213508.db2.gz ZRVVCDGBZYZHBS-ZYHUDNBSSA-N 0 0 219.328 3.535 10 0 BHAERN Cc1cc(O[C@@H]2CCC[C@H](C)C2)ccc1N ZINC000031980121 178213294 /nfs/dbraw/zinc/21/32/94/178213294.db2.gz ZRVVCDGBZYZHBS-CMPLNLGQSA-N 0 0 219.328 3.535 10 0 BHAERN Cc1cc(O[C@H]2CCC[C@@H](C)C2)ccc1N ZINC000031980123 178214896 /nfs/dbraw/zinc/21/48/96/178214896.db2.gz ZRVVCDGBZYZHBS-PWSUYJOCSA-N 0 0 219.328 3.535 10 0 BHAERN Cc1cc(O[C@H]2CCC[C@H](C)C2)ccc1N ZINC000031980125 178214873 /nfs/dbraw/zinc/21/48/73/178214873.db2.gz ZRVVCDGBZYZHBS-JQWIXIFHSA-N 0 0 219.328 3.535 10 0 BHAERN Cc1ccc(N)c(O[C@@H]2CCC[C@H](C)C2)c1 ZINC000031980185 178704546 /nfs/dbraw/zinc/70/45/46/178704546.db2.gz AYVUWRTUJLCWNP-CMPLNLGQSA-N 0 0 219.328 3.535 10 0 BHAERN O=Cc1cccc(-c2ccc(O)c(Cl)c2)c1 ZINC000031995737 385117028 /nfs/dbraw/zinc/11/70/28/385117028.db2.gz HKTJYZXJEKINNA-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN O=Cc1ccc(-c2ccc(O)c(Cl)c2)cc1 ZINC000031995739 385117310 /nfs/dbraw/zinc/11/73/10/385117310.db2.gz UTIXPCLORINPND-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN O=Cc1ccc(-c2ccc3ccccc3n2)cc1 ZINC000031997527 385117514 /nfs/dbraw/zinc/11/75/14/385117514.db2.gz YGQOGTMNKMDWOY-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN Cc1ccc(N)cc1-c1ccc(Cl)cc1 ZINC000032002850 178704714 /nfs/dbraw/zinc/70/47/14/178704714.db2.gz KGRDYXBZQWCPGA-UHFFFAOYSA-N 0 0 217.699 3.898 10 0 BHAERN Nc1cc(-c2ccc(F)cc2)ccc1Cl ZINC000032002875 181674268 /nfs/dbraw/zinc/67/42/68/181674268.db2.gz NPJOLIBZYHWLLQ-UHFFFAOYSA-N 0 0 221.662 3.728 10 0 BHAERN COc1ccc(-c2ccc(N)cc2Cl)cc1 ZINC000032003039 175033817 /nfs/dbraw/zinc/03/38/17/175033817.db2.gz JSYPCLSGDCQUIK-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN COc1ccc(-c2ccc(Cl)c(N)c2)cc1 ZINC000032003041 175033426 /nfs/dbraw/zinc/03/34/26/175033426.db2.gz GDZMOLGVHOLMLV-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN COc1cccc(-c2ccc(N)cc2Cl)c1 ZINC000032003044 175234354 /nfs/dbraw/zinc/23/43/54/175234354.db2.gz MOLFKSWWDNAOSG-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN COc1cccc(-c2ccc(Cl)c(N)c2)c1 ZINC000032003046 175233821 /nfs/dbraw/zinc/23/38/21/175233821.db2.gz IKAXPYQSSZZTGY-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN COc1ccccc1-c1ccc(N)cc1Cl ZINC000032003049 175308798 /nfs/dbraw/zinc/30/87/98/175308798.db2.gz PLHZHEGMDXSCED-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN COc1ccccc1-c1ccc(Cl)c(N)c1 ZINC000032003051 175309251 /nfs/dbraw/zinc/30/92/51/175309251.db2.gz DSBCOEBEOHXANU-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN O=Cc1ccc(F)c(-c2ccc(Cl)cc2)c1 ZINC000032003069 182867358 /nfs/dbraw/zinc/86/73/58/182867358.db2.gz JLLWMIIKGVXLTP-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN COc1ccc(-c2cc(Cl)ccc2O)cc1 ZINC000032003075 175031349 /nfs/dbraw/zinc/03/13/49/175031349.db2.gz KSDJUFOUWRUSAZ-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(-c2ccc(O)c(Cl)c2)cc1 ZINC000032003077 175034258 /nfs/dbraw/zinc/03/42/58/175034258.db2.gz VTTLALIYIIFAAZ-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1cccc(-c2cc(Cl)ccc2O)c1 ZINC000032003080 175233634 /nfs/dbraw/zinc/23/36/34/175233634.db2.gz RXLVQKOJNYGRPL-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1cccc(-c2ccc(O)c(Cl)c2)c1 ZINC000032003083 175233788 /nfs/dbraw/zinc/23/37/88/175233788.db2.gz JYTSUCWTIUCMMY-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccccc1-c1cc(Cl)ccc1O ZINC000032003086 175309216 /nfs/dbraw/zinc/30/92/16/175309216.db2.gz UJAZGCOZAUUQHZ-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccccc1-c1ccc(O)c(Cl)c1 ZINC000032003089 175309840 /nfs/dbraw/zinc/30/98/40/175309840.db2.gz OEPIESXFELXICQ-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN CC(=O)c1cccc(-c2ccc(N(C)C)cc2)c1 ZINC000032003120 385121604 /nfs/dbraw/zinc/12/16/04/385121604.db2.gz YHPXMSWUDWMYLN-UHFFFAOYSA-N 0 0 239.318 3.622 10 0 BHAERN Cc1ccc(C=O)cc1-c1ccc(N(C)C)cc1 ZINC000032003123 178514234 /nfs/dbraw/zinc/51/42/34/178514234.db2.gz GFFJEUWRKMFVMK-UHFFFAOYSA-N 0 0 239.318 3.541 10 0 BHAERN COc1ccc(-c2cc(C=O)ccc2Cl)cc1 ZINC000032003260 175031036 /nfs/dbraw/zinc/03/10/36/175031036.db2.gz NFZSYRISTIKLKE-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN Oc1ccccc1-c1ccc(Br)cc1 ZINC000032003332 183298285 /nfs/dbraw/zinc/29/82/85/183298285.db2.gz ZGOWIHIGUHWAMQ-UHFFFAOYSA-N 0 0 249.107 3.822 10 0 BHAERN Cc1cccc(C)c1NCc1ccco1 ZINC000032010012 179043790 /nfs/dbraw/zinc/04/37/90/179043790.db2.gz HJGIZBUVRILDMJ-UHFFFAOYSA-N 0 0 201.269 3.509 10 0 BHAERN CC(C)c1ccc([C@@H]2CCC(=O)C2)cc1 ZINC000032010078 352732820 /nfs/dbraw/zinc/73/28/20/352732820.db2.gz JJWAANIKVCBLCG-CYBMUJFWSA-N 0 0 202.297 3.647 10 0 BHAERN CC(C)c1ccc([C@H]2CCC(=O)C2)cc1 ZINC000032010079 352732825 /nfs/dbraw/zinc/73/28/25/352732825.db2.gz JJWAANIKVCBLCG-ZDUSSCGKSA-N 0 0 202.297 3.647 10 0 BHAERN CC(C)C[C@H](O)c1ccc(C(C)C)cc1 ZINC000032011635 188358522 /nfs/dbraw/zinc/35/85/22/188358522.db2.gz NBTMXSBACOJXKZ-AWEZNQCLSA-N 0 0 206.329 3.890 10 0 BHAERN Cc1ccc(C)c(-c2ccc(C=O)cc2)c1 ZINC000032012389 385121251 /nfs/dbraw/zinc/12/12/51/385121251.db2.gz NMIVXJITGMAOBV-UHFFFAOYSA-N 0 0 210.276 3.783 10 0 BHAERN Cc1ccc(C)c(-c2cccc(C=O)c2)c1 ZINC000032012390 641707477 /nfs/dbraw/zinc/70/74/77/641707477.db2.gz CBFQUJUMHHCOPW-UHFFFAOYSA-N 0 0 210.276 3.783 10 0 BHAERN CCCCC(=O)Cc1ccccc1Cl ZINC000032012440 352735009 /nfs/dbraw/zinc/73/50/09/352735009.db2.gz CJIIRVMXIJUTPG-UHFFFAOYSA-N 0 0 210.704 3.642 10 0 BHAERN CCCCC(=O)Cc1cccc(Cl)c1 ZINC000032012442 350410425 /nfs/dbraw/zinc/41/04/25/350410425.db2.gz QHTYYYDZCBGYQI-UHFFFAOYSA-N 0 0 210.704 3.642 10 0 BHAERN CCCCC(=O)Cc1ccc(Cl)cc1 ZINC000032012444 352735054 /nfs/dbraw/zinc/73/50/54/352735054.db2.gz OCBCDSKGYNPJNS-UHFFFAOYSA-N 0 0 210.704 3.642 10 0 BHAERN Cc1ccc(CC(=O)C2CCCCC2)cc1 ZINC000032013138 188358533 /nfs/dbraw/zinc/35/85/33/188358533.db2.gz UCLWHPLARHEEHF-UHFFFAOYSA-N 0 0 216.324 3.687 10 0 BHAERN Cc1cccc(C)c1NCc1cccs1 ZINC000032013211 179043076 /nfs/dbraw/zinc/04/30/76/179043076.db2.gz UGXYNZVWMOJCDP-UHFFFAOYSA-N 0 0 217.337 3.977 10 0 BHAERN O[C@@H](CCc1ccccc1)C1CCCCC1 ZINC000032013330 183174796 /nfs/dbraw/zinc/17/47/96/183174796.db2.gz OFVQMFNJBRMYRM-HNNXBMFYSA-N 0 0 218.340 3.560 10 0 BHAERN O[C@H](CCc1ccccc1)C1CCCCC1 ZINC000032013331 183219437 /nfs/dbraw/zinc/21/94/37/183219437.db2.gz OFVQMFNJBRMYRM-OAHLLOKOSA-N 0 0 218.340 3.560 10 0 BHAERN O[C@@H](CCCc1ccccc1)C1CCCC1 ZINC000032013332 183173039 /nfs/dbraw/zinc/17/30/39/183173039.db2.gz ILMFVMXQFQGZNK-HNNXBMFYSA-N 0 0 218.340 3.560 10 0 BHAERN O[C@H](CCCc1ccccc1)C1CCCC1 ZINC000032013333 183219135 /nfs/dbraw/zinc/21/91/35/183219135.db2.gz ILMFVMXQFQGZNK-OAHLLOKOSA-N 0 0 218.340 3.560 10 0 BHAERN Cc1ccc([C@H](O)C2CCCCC2)cc1C ZINC000032013342 178911374 /nfs/dbraw/zinc/91/13/74/178911374.db2.gz PQPHPNUUNSHXPX-OAHLLOKOSA-N 0 0 218.340 3.917 10 0 BHAERN O=C(Cc1ccccc1F)C1CCCCC1 ZINC000032013638 182045180 /nfs/dbraw/zinc/04/51/80/182045180.db2.gz GLEJIJSYHYZMON-UHFFFAOYSA-N 0 0 220.287 3.518 10 0 BHAERN O=C(Cc1cccc(F)c1)C1CCCCC1 ZINC000032013639 182041195 /nfs/dbraw/zinc/04/11/95/182041195.db2.gz CANZNDYNIOZMJW-UHFFFAOYSA-N 0 0 220.287 3.518 10 0 BHAERN O=C(Cc1ccc(F)cc1)C1CCCCC1 ZINC000032013640 182035940 /nfs/dbraw/zinc/03/59/40/182035940.db2.gz QQZHAMXAHJYQIQ-UHFFFAOYSA-N 0 0 220.287 3.518 10 0 BHAERN Cc1cc([C@@H](O)C2CCCCC2)ccc1F ZINC000032014300 178238135 /nfs/dbraw/zinc/23/81/35/178238135.db2.gz FGGNDTJNVHJYLQ-AWEZNQCLSA-N 0 0 222.303 3.748 10 0 BHAERN Cc1cc([C@H](O)C2CCCCC2)ccc1F ZINC000032014301 178263726 /nfs/dbraw/zinc/26/37/26/178263726.db2.gz FGGNDTJNVHJYLQ-CQSZACIVSA-N 0 0 222.303 3.748 10 0 BHAERN O=C(Cc1ccccc1Cl)C1CCCC1 ZINC000032014384 182045332 /nfs/dbraw/zinc/04/53/32/182045332.db2.gz GQTVETXEHCKZHY-UHFFFAOYSA-N 0 0 222.715 3.642 10 0 BHAERN O=C(Cc1cccc(Cl)c1)C1CCCC1 ZINC000032014385 182040549 /nfs/dbraw/zinc/04/05/49/182040549.db2.gz BGTKNVDQCJEXRG-UHFFFAOYSA-N 0 0 222.715 3.642 10 0 BHAERN O=C(Cc1ccc(Cl)cc1)C1CCCC1 ZINC000032014386 182034881 /nfs/dbraw/zinc/03/48/81/182034881.db2.gz FAZAVFYYQAIJPG-UHFFFAOYSA-N 0 0 222.715 3.642 10 0 BHAERN Fc1cccc(F)c1NCc1cccs1 ZINC000032014933 181001081 /nfs/dbraw/zinc/00/10/81/181001081.db2.gz NRIBQIMEJHBQDQ-UHFFFAOYSA-N 0 0 225.263 3.638 10 0 BHAERN Cc1cccc(C)c1NCCc1ccccc1 ZINC000032015083 179043439 /nfs/dbraw/zinc/04/34/39/179043439.db2.gz QXZOOAXIRRPYAS-UHFFFAOYSA-N 0 0 225.335 3.958 10 0 BHAERN Nc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000032015165 181693867 /nfs/dbraw/zinc/69/38/67/181693867.db2.gz APQSMVBPSOOIMO-UHFFFAOYSA-N 0 0 226.254 3.556 10 0 BHAERN Cc1cccc(C)c1NCc1ccc(O)cc1 ZINC000032015368 179043487 /nfs/dbraw/zinc/04/34/87/179043487.db2.gz MXEWRDUARURIDE-UHFFFAOYSA-N 0 0 227.307 3.621 10 0 BHAERN Cc1cccc(C)c1NCc1cccc(O)c1 ZINC000032015369 179044235 /nfs/dbraw/zinc/04/42/35/179044235.db2.gz PTDOQOMQPTYVCG-UHFFFAOYSA-N 0 0 227.307 3.621 10 0 BHAERN CC(C)Oc1ccc(-c2ccc(N)cc2)cc1 ZINC000032015370 167289040 /nfs/dbraw/zinc/28/90/40/167289040.db2.gz NMGWUPUTILVWBP-UHFFFAOYSA-N 0 0 227.307 3.723 10 0 BHAERN CC(C)Oc1ccc(-c2cccc(N)c2)cc1 ZINC000032015371 167288119 /nfs/dbraw/zinc/28/81/19/167288119.db2.gz VCBLQQRWAHMCKC-UHFFFAOYSA-N 0 0 227.307 3.723 10 0 BHAERN CCCNc1ccc(C)c(Br)c1 ZINC000032015517 352736255 /nfs/dbraw/zinc/73/62/55/352736255.db2.gz SPDQXTIAFHDKJA-UHFFFAOYSA-N 0 0 228.133 3.579 10 0 BHAERN CC(C)Oc1ccc(-c2ccc(O)cc2)cc1 ZINC000032015539 167288443 /nfs/dbraw/zinc/28/84/43/167288443.db2.gz DYAAQVPNJBQXHD-UHFFFAOYSA-N 0 0 228.291 3.846 10 0 BHAERN CC(C)Oc1ccc(-c2cccc(O)c2)cc1 ZINC000032015540 167287714 /nfs/dbraw/zinc/28/77/14/167287714.db2.gz ZEQCLMQKBQSZOK-UHFFFAOYSA-N 0 0 228.291 3.846 10 0 BHAERN O=C(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000032015711 182033770 /nfs/dbraw/zinc/03/37/70/182033770.db2.gz BEXIVOWXFWDJRN-UHFFFAOYSA-N 0 0 229.106 3.515 10 0 BHAERN O=C(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000032015712 182035440 /nfs/dbraw/zinc/03/54/40/182035440.db2.gz OKLWQMAEVILVCJ-UHFFFAOYSA-N 0 0 229.106 3.515 10 0 BHAERN O[C@H](c1ccc2c(c1)CCCC2)C1CCCC1 ZINC000032015958 183229808 /nfs/dbraw/zinc/22/98/08/183229808.db2.gz UGOMEGOEMZDQNM-INIZCTEOSA-N 0 0 230.351 3.789 10 0 BHAERN O[C@@H](c1ccc2c(c1)CCCC2)C1CCCC1 ZINC000032015959 183185651 /nfs/dbraw/zinc/18/56/51/183185651.db2.gz UGOMEGOEMZDQNM-MRXNPFEDSA-N 0 0 230.351 3.789 10 0 BHAERN CC(C)C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000032015981 166702356 /nfs/dbraw/zinc/70/23/56/166702356.db2.gz RYXJXNHUVVERNP-UHFFFAOYSA-N 0 0 231.122 3.761 10 0 BHAERN CC(C)C(=O)Cc1ccc(Cl)cc1Cl ZINC000032015983 352740583 /nfs/dbraw/zinc/74/05/83/352740583.db2.gz BMTUJHPNKSLMGD-UHFFFAOYSA-N 0 0 231.122 3.761 10 0 BHAERN CC[C@@H]1CCCCN1c1ccc(C(C)=O)cc1 ZINC000032016098 132335110 /nfs/dbraw/zinc/33/51/10/132335110.db2.gz IKLNCHMHVVYPQK-CQSZACIVSA-N 0 0 231.339 3.658 10 0 BHAERN CC[C@H]1CCCCN1c1ccc(C(C)=O)cc1 ZINC000032016099 132335158 /nfs/dbraw/zinc/33/51/58/132335158.db2.gz IKLNCHMHVVYPQK-AWEZNQCLSA-N 0 0 231.339 3.658 10 0 BHAERN CCC(=O)c1ccc(N2CCC(C)CC2)cc1 ZINC000032016100 132335284 /nfs/dbraw/zinc/33/52/84/132335284.db2.gz FXDNFCYICLDWOE-UHFFFAOYSA-N 0 0 231.339 3.516 10 0 BHAERN CCC(=O)c1ccc(N2CCCCCC2)cc1 ZINC000032016101 168255992 /nfs/dbraw/zinc/25/59/92/168255992.db2.gz KCMKACCLKVQNAK-UHFFFAOYSA-N 0 0 231.339 3.660 10 0 BHAERN CCC(=O)c1ccc(N2CCCC[C@@H]2C)cc1 ZINC000032016102 132335177 /nfs/dbraw/zinc/33/51/77/132335177.db2.gz DKAHFFUESWPUDX-LBPRGKRZSA-N 0 0 231.339 3.658 10 0 BHAERN CCC(=O)c1ccc(N2CCCC[C@H]2C)cc1 ZINC000032016103 132335120 /nfs/dbraw/zinc/33/51/20/132335120.db2.gz DKAHFFUESWPUDX-GFCCVEGCSA-N 0 0 231.339 3.658 10 0 BHAERN CCC(=O)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000032016104 132335209 /nfs/dbraw/zinc/33/52/09/132335209.db2.gz RRRXHPINQGEPOB-GFCCVEGCSA-N 0 0 231.339 3.516 10 0 BHAERN CCC(=O)c1ccc(N2CCC[C@H](C)C2)cc1 ZINC000032016105 132335282 /nfs/dbraw/zinc/33/52/82/132335282.db2.gz RRRXHPINQGEPOB-LBPRGKRZSA-N 0 0 231.339 3.516 10 0 BHAERN CCC(CC)C(=O)c1ccc2c(c1)CCCN2 ZINC000032016110 168342849 /nfs/dbraw/zinc/34/28/49/168342849.db2.gz DVWBYZZHUORWEW-UHFFFAOYSA-N 0 0 231.339 3.664 10 0 BHAERN CCCc1cc2cc(Cl)cc(C)c2nc1N ZINC000032099305 169567775 /nfs/dbraw/zinc/56/77/75/169567775.db2.gz MCMINGJSNVJJFD-UHFFFAOYSA-N 0 0 234.730 3.731 10 0 BHAERN Nc1nc2ccc(F)cc2cc1-c1ccccc1 ZINC000032099311 343229555 /nfs/dbraw/zinc/22/95/55/343229555.db2.gz BGAUYBFZGCPLHT-UHFFFAOYSA-N 0 0 238.265 3.623 10 0 BHAERN Cc1ccc2nc(N)c(-c3ccccc3)cc2c1 ZINC000032099315 343229552 /nfs/dbraw/zinc/22/95/52/343229552.db2.gz NEIMUUKFDWTRAN-UHFFFAOYSA-N 0 0 234.302 3.792 10 0 BHAERN Nc1nc2cc(F)ccc2cc1-c1ccccc1 ZINC000032099330 343229568 /nfs/dbraw/zinc/22/95/68/343229568.db2.gz PLAXCEVWILGTOB-UHFFFAOYSA-N 0 0 238.265 3.623 10 0 BHAERN Cc1ccc2cc(-c3ccccc3)c(N)nc2c1 ZINC000032099333 343229534 /nfs/dbraw/zinc/22/95/34/343229534.db2.gz DMHGXHQDKJYRKF-UHFFFAOYSA-N 0 0 234.302 3.792 10 0 BHAERN Cc1cccc2cc(-c3ccccc3)c(N)nc12 ZINC000032099337 179225415 /nfs/dbraw/zinc/22/54/15/179225415.db2.gz QAAOTNYNLLBMGT-UHFFFAOYSA-N 0 0 234.302 3.792 10 0 BHAERN CCc1ccc2cc(C)c(Cl)nc2c1 ZINC000032099366 385130866 /nfs/dbraw/zinc/13/08/66/385130866.db2.gz DVJIJSSAYADHIL-UHFFFAOYSA-N 0 0 205.688 3.759 10 0 BHAERN Cc1cc(Cl)c2nccc(Cl)c2c1 ZINC000032099389 178062554 /nfs/dbraw/zinc/06/25/54/178062554.db2.gz NFBIRPBNNRRVBV-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN CCOc1ccc2nc(Cl)c(CC)cc2c1 ZINC000032099728 170570695 /nfs/dbraw/zinc/57/06/95/170570695.db2.gz QUWBUFNNGNLIIG-UHFFFAOYSA-N 0 0 235.714 3.849 10 0 BHAERN Cc1ccc(C)c2[nH]c(=O)c(-c3ccccc3)cc12 ZINC000032099745 178505294 /nfs/dbraw/zinc/50/52/94/178505294.db2.gz ZIWHDXAOOURSNU-UHFFFAOYSA-N 0 0 249.313 3.812 10 0 BHAERN Cc1cc2cc(-c3ccccc3)c(=O)[nH]c2cc1C ZINC000032099750 178294440 /nfs/dbraw/zinc/29/44/40/178294440.db2.gz OSPXQNCGCAJHNG-UHFFFAOYSA-N 0 0 249.313 3.812 10 0 BHAERN CCc1ccc2[nH]c(=O)c(-c3ccccc3)cc2c1 ZINC000032099757 343229581 /nfs/dbraw/zinc/22/95/81/343229581.db2.gz SCOTYBGVLLABSH-UHFFFAOYSA-N 0 0 249.313 3.758 10 0 BHAERN Cc1ccc2[nH]c(=O)c(-c3ccccc3)cc2c1 ZINC000032099760 343229610 /nfs/dbraw/zinc/22/96/10/343229610.db2.gz NPJHPAJCPQPETE-UHFFFAOYSA-N 0 0 235.286 3.504 10 0 BHAERN CCc1cccc2cc(-c3ccccc3)c(=O)[nH]c21 ZINC000032099769 171869689 /nfs/dbraw/zinc/86/96/89/171869689.db2.gz VHDBOIIKLLWNKA-UHFFFAOYSA-N 0 0 249.313 3.758 10 0 BHAERN Cc1cccc2cc(-c3ccccc3)c(=O)[nH]c12 ZINC000032099770 179225378 /nfs/dbraw/zinc/22/53/78/179225378.db2.gz BZCYIUPHTZXMER-UHFFFAOYSA-N 0 0 235.286 3.504 10 0 BHAERN Cc1ccc(C)c2c(Br)ccnc12 ZINC000032099847 343229616 /nfs/dbraw/zinc/22/96/16/343229616.db2.gz OCJWXTVLBZUKJA-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Cc1ccc2nc(C)cc(Br)c2c1 ZINC000032099859 343229633 /nfs/dbraw/zinc/22/96/33/343229633.db2.gz VNQOVTVVZJAQBW-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN CCc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1 ZINC000032099892 188358194 /nfs/dbraw/zinc/35/81/94/188358194.db2.gz UQLIKYIEQKMJMO-UHFFFAOYSA-N 0 0 249.313 3.758 10 0 BHAERN Cc1ccc(NCC(C)C)cc1Br ZINC000032100064 343229605 /nfs/dbraw/zinc/22/96/05/343229605.db2.gz LRIBNDDAKZWJMR-UHFFFAOYSA-N 0 0 242.160 3.825 10 0 BHAERN CC[C@@H](C)Nc1ccc(C)c(Br)c1 ZINC000032100065 353142890 /nfs/dbraw/zinc/14/28/90/353142890.db2.gz DGTBTZOVTLKYBX-SECBINFHSA-N 0 0 242.160 3.968 10 0 BHAERN CC[C@H](C)Nc1ccc(C)c(Br)c1 ZINC000032100067 171349956 /nfs/dbraw/zinc/34/99/56/171349956.db2.gz DGTBTZOVTLKYBX-VIFPVBQESA-N 0 0 242.160 3.968 10 0 BHAERN CC(C)C[C@@H](O)c1ccc(Br)cc1 ZINC000032100895 353141096 /nfs/dbraw/zinc/14/10/96/353141096.db2.gz WCESIBFNQCHLMW-LLVKDONJSA-N 0 0 243.144 3.529 10 0 BHAERN CC(C)C[C@H](O)c1ccc(Br)cc1 ZINC000032100897 187256893 /nfs/dbraw/zinc/25/68/93/187256893.db2.gz WCESIBFNQCHLMW-NSHDSACASA-N 0 0 243.144 3.529 10 0 BHAERN O=C1Cc2ccccc2N1c1cccc(Cl)c1 ZINC000032101403 342797664 /nfs/dbraw/zinc/79/76/64/342797664.db2.gz HMWMGKFMLJFUJI-UHFFFAOYSA-N 0 0 243.693 3.561 10 0 BHAERN O=C1Cc2ccccc2N1c1ccc(Cl)cc1 ZINC000032101406 345719907 /nfs/dbraw/zinc/71/99/07/345719907.db2.gz SHFYJMYOVFBDJR-UHFFFAOYSA-N 0 0 243.693 3.561 10 0 BHAERN O=C(Cc1ccccc1)Cc1ccccc1Cl ZINC000032101907 182042988 /nfs/dbraw/zinc/04/29/88/182042988.db2.gz DHQULIHUCAJXBX-UHFFFAOYSA-N 0 0 244.721 3.694 10 0 BHAERN O=C(Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000032101909 182042851 /nfs/dbraw/zinc/04/28/51/182042851.db2.gz AYCSSTAAIPBGPH-UHFFFAOYSA-N 0 0 244.721 3.694 10 0 BHAERN CC(C)c1ccc(NC[C@@H](O)c2ccco2)cc1 ZINC000032102181 167604517 /nfs/dbraw/zinc/60/45/17/167604517.db2.gz JPAWHMGWGRMPOF-CQSZACIVSA-N 0 0 245.322 3.549 10 0 BHAERN Cc1ccc(NC[C@H](O)c2cccs2)c(C)c1 ZINC000032103027 178761367 /nfs/dbraw/zinc/76/13/67/178761367.db2.gz JSYVJMOKZXMYQY-ZDUSSCGKSA-N 0 0 247.363 3.510 10 0 BHAERN Cc1cc(C)cc(NC[C@@H](O)c2cccs2)c1 ZINC000032103035 177910210 /nfs/dbraw/zinc/91/02/10/177910210.db2.gz IWUNFOWMJBGTNR-CYBMUJFWSA-N 0 0 247.363 3.510 10 0 BHAERN Cc1cccc(NC[C@@H](O)c2cccs2)c1C ZINC000032103038 179146594 /nfs/dbraw/zinc/14/65/94/179146594.db2.gz GCUDGEYRFGAZFP-CYBMUJFWSA-N 0 0 247.363 3.510 10 0 BHAERN Cc1cccc(NC[C@H](O)c2cccs2)c1C ZINC000032103040 179148677 /nfs/dbraw/zinc/14/86/77/179148677.db2.gz GCUDGEYRFGAZFP-ZDUSSCGKSA-N 0 0 247.363 3.510 10 0 BHAERN Cc1ccc(N)cc1OCc1ccc(Cl)cc1 ZINC000032103406 178710001 /nfs/dbraw/zinc/71/00/01/178710001.db2.gz ZPASKYXSRMSFSK-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN Cc1ccc(OCc2ccccc2Cl)cc1N ZINC000032103407 178816740 /nfs/dbraw/zinc/81/67/40/178816740.db2.gz WMTMKSMELHABQC-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN Cc1cccc(OCC[C@@H](O)C2CCCCC2)c1 ZINC000032103928 179169866 /nfs/dbraw/zinc/16/98/66/179169866.db2.gz NALLKYLTZMXBPK-MRXNPFEDSA-N 0 0 248.366 3.705 10 0 BHAERN Cc1cccc(OCC[C@H](O)C2CCCCC2)c1 ZINC000032103930 179169857 /nfs/dbraw/zinc/16/98/57/179169857.db2.gz NALLKYLTZMXBPK-INIZCTEOSA-N 0 0 248.366 3.705 10 0 BHAERN C[C@H](c1ccncc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000032133837 343230063 /nfs/dbraw/zinc/23/00/63/343230063.db2.gz UPVGCZNXITYNGC-QMTHXVAHSA-N 0 0 247.725 3.572 10 0 BHAERN C[C@@H](c1ccncc1)[C@@H](O)c1ccc(Cl)cc1 ZINC000032133839 343230186 /nfs/dbraw/zinc/23/01/86/343230186.db2.gz UPVGCZNXITYNGC-IINYFYTJSA-N 0 0 247.725 3.572 10 0 BHAERN C[C@H](c1ccncc1)[C@H](O)c1ccc(Cl)cc1 ZINC000032133841 343230237 /nfs/dbraw/zinc/23/02/37/343230237.db2.gz UPVGCZNXITYNGC-YGRLFVJLSA-N 0 0 247.725 3.572 10 0 BHAERN C[C@@H](c1ccncc1)[C@H](O)c1ccc(Cl)cc1 ZINC000032133843 343230092 /nfs/dbraw/zinc/23/00/92/343230092.db2.gz UPVGCZNXITYNGC-HZMBPMFUSA-N 0 0 247.725 3.572 10 0 BHAERN Oc1ccccc1CCCc1ccccc1 ZINC000032134238 183302369 /nfs/dbraw/zinc/30/23/69/183302369.db2.gz JSGXYACZKHCRTI-UHFFFAOYSA-N 0 0 212.292 3.568 10 0 BHAERN CCOP(=O)(OCC)Oc1ccccc1C ZINC000032134267 345726046 /nfs/dbraw/zinc/72/60/46/345726046.db2.gz PEWMGFMJPSOUIN-UHFFFAOYSA-N 0 0 244.227 3.555 10 0 BHAERN CC(C)(C)c1cc(Cl)c(Cl)cc1N ZINC000032139843 372151511 /nfs/dbraw/zinc/15/15/11/372151511.db2.gz RQDBUUPMQBPUGF-UHFFFAOYSA-N 0 0 218.127 3.873 10 0 BHAERN Clc1ccc(C(Cl)(Cl)Cl)nc1 ZINC000032149071 187256849 /nfs/dbraw/zinc/25/68/49/187256849.db2.gz NCMBQFDKWHROST-UHFFFAOYSA-N 0 0 230.909 3.562 10 0 BHAERN CC(=O)N(c1ccc(C)cc1)c1ccc(C)cc1 ZINC000032152432 350162022 /nfs/dbraw/zinc/16/20/22/350162022.db2.gz PFVHRXRSOITNHZ-UHFFFAOYSA-N 0 0 239.318 3.988 10 0 BHAERN CCN(CC)C(=S)Cc1ccc(Cl)cc1 ZINC000032152448 345727256 /nfs/dbraw/zinc/72/72/56/345727256.db2.gz PBKSMLQXHOWYKE-UHFFFAOYSA-N 0 0 241.787 3.552 10 0 BHAERN C=CCOc1ccc(Cl)cc1CC=C ZINC000032153835 345729559 /nfs/dbraw/zinc/72/95/59/345729559.db2.gz BWKRYENOKBVWNT-UHFFFAOYSA-N 0 0 208.688 3.633 10 0 BHAERN COc1cc(Cl)cc(Cl)c1Cl ZINC000032154137 343230239 /nfs/dbraw/zinc/23/02/39/343230239.db2.gz VGGPULNMTUAGOK-UHFFFAOYSA-N 0 0 211.475 3.655 10 0 BHAERN Cc1ccc(C(=O)C(C)(C)Cl)c(C)c1 ZINC000032154264 345730588 /nfs/dbraw/zinc/73/05/88/345730588.db2.gz FRXUQBIZUYXNKL-UHFFFAOYSA-N 0 0 210.704 3.504 10 0 BHAERN CCC[C@@H](C)Cc1cnc(SCC)c(C)n1 ZINC000032166254 345734063 /nfs/dbraw/zinc/73/40/63/345734063.db2.gz JLGYHZWFTNTWFR-SNVBAGLBSA-N 0 0 238.400 3.876 10 0 BHAERN CCC[C@H](C)Cc1cnc(SCC)c(C)n1 ZINC000032166256 345734180 /nfs/dbraw/zinc/73/41/80/345734180.db2.gz JLGYHZWFTNTWFR-JTQLQIEISA-N 0 0 238.400 3.876 10 0 BHAERN c1ccc(-c2nsnc2-c2ccccc2)cc1 ZINC000032173517 183385521 /nfs/dbraw/zinc/38/55/21/183385521.db2.gz KHQSDNWSSKXRSS-UHFFFAOYSA-N 0 0 238.315 3.872 10 0 BHAERN CC(C)(Cl)C(=O)c1ccc(Cl)cc1 ZINC000032178866 187765927 /nfs/dbraw/zinc/76/59/27/187765927.db2.gz SFFMIORDYVFMAI-UHFFFAOYSA-N 0 0 217.095 3.540 10 0 BHAERN C(CCOC1CCCCCCC1)CCN1CC1 ZINC000032184462 345740944 /nfs/dbraw/zinc/74/09/44/345740944.db2.gz LAOJPISCYHRDOA-UHFFFAOYSA-N 0 0 239.403 3.602 10 0 BHAERN Cc1cc(C)c(C(=O)C(C)(C)C)c(C)c1 ZINC000032189363 343230753 /nfs/dbraw/zinc/23/07/53/343230753.db2.gz WIJOXYWRGOPMTI-UHFFFAOYSA-N 0 0 204.313 3.841 10 0 BHAERN CCCCCCc1ccc(C(=O)OC)cc1 ZINC000032190508 343230508 /nfs/dbraw/zinc/23/05/08/343230508.db2.gz RTTGTHPEVMEHEK-UHFFFAOYSA-N 0 0 220.312 3.596 10 0 BHAERN CCOC(=O)C(C)(C)c1cccc2ccccc21 ZINC000032208472 372159893 /nfs/dbraw/zinc/15/98/93/372159893.db2.gz JLYWWQWYGRWWCR-UHFFFAOYSA-N 0 0 242.318 3.681 10 0 BHAERN CO[C@@](C)(c1ccncc1)c1ccc(Cl)cc1 ZINC000032208940 345751174 /nfs/dbraw/zinc/75/11/74/345751174.db2.gz OVOWRGFCTGXTST-CQSZACIVSA-N 0 0 247.725 3.645 10 0 BHAERN CO[C@](C)(c1ccncc1)c1ccc(Cl)cc1 ZINC000032208944 345751163 /nfs/dbraw/zinc/75/11/63/345751163.db2.gz OVOWRGFCTGXTST-AWEZNQCLSA-N 0 0 247.725 3.645 10 0 BHAERN CC(=O)Oc1ccccc1[C@@]1(C)CCC=C1C ZINC000032219939 385137344 /nfs/dbraw/zinc/13/73/44/385137344.db2.gz DEZXPCAUUBOORL-HNNXBMFYSA-N 0 0 230.307 3.610 10 0 BHAERN CC(=O)Oc1ccccc1[C@]1(C)CCC=C1C ZINC000032219940 385138330 /nfs/dbraw/zinc/13/83/30/385138330.db2.gz DEZXPCAUUBOORL-OAHLLOKOSA-N 0 0 230.307 3.610 10 0 BHAERN CCCc1c(O)ccc(Cl)c1Cl ZINC000032220326 353504732 /nfs/dbraw/zinc/50/47/32/353504732.db2.gz BXYFAUOKSLXETI-UHFFFAOYSA-N 0 0 205.084 3.652 10 0 BHAERN CCOC(=O)c1ccc(-c2cccs2)cc1 ZINC000032223139 353527888 /nfs/dbraw/zinc/52/78/88/353527888.db2.gz HUGDGQUJYNNTSA-UHFFFAOYSA-N 0 0 232.304 3.592 10 0 BHAERN CC(C)c1cnc(-c2ccccc2)s1 ZINC000032235711 385137811 /nfs/dbraw/zinc/13/78/11/385137811.db2.gz DIBUSZLHFVADTN-UHFFFAOYSA-N 0 0 203.310 3.934 10 0 BHAERN c1ccc(-c2ccc3ccncc3c2)cc1 ZINC000032236496 347134639 /nfs/dbraw/zinc/13/46/39/347134639.db2.gz ABHOSWOMORWEPY-UHFFFAOYSA-N 0 0 205.260 3.902 10 0 BHAERN COc1ccccc1/C=C\c1ccccc1 ZINC000032237918 175315796 /nfs/dbraw/zinc/31/57/96/175315796.db2.gz FLQOKJWUYDGZIT-QXMHVHEDSA-N 0 0 210.276 3.866 10 0 BHAERN OC[C@@H]1c2ccccc2Nc2ccc(Cl)cc21 ZINC000032249887 345759251 /nfs/dbraw/zinc/75/92/51/345759251.db2.gz ZOJMTZWCWQHNKS-GFCCVEGCSA-N 0 0 245.709 3.521 10 0 BHAERN OC[C@H]1c2ccccc2Nc2ccc(Cl)cc21 ZINC000032249890 345759960 /nfs/dbraw/zinc/75/99/60/345759960.db2.gz ZOJMTZWCWQHNKS-LBPRGKRZSA-N 0 0 245.709 3.521 10 0 BHAERN Cc1ccc2nnc(-c3ccccc3)cc2c1 ZINC000032253296 345760253 /nfs/dbraw/zinc/76/02/53/345760253.db2.gz BJECKNUIDJVFRQ-UHFFFAOYSA-N 0 0 220.275 3.605 10 0 BHAERN c1cc2c(cccc2NCc2ccccc2)[nH]1 ZINC000032253775 183406655 /nfs/dbraw/zinc/40/66/55/183406655.db2.gz AOOQLCKCCFATCX-UHFFFAOYSA-N 0 0 222.291 3.780 10 0 BHAERN CCCC(=C(C#N)C#N)c1ccc(Cl)cc1 ZINC000032255833 345760761 /nfs/dbraw/zinc/76/07/61/345760761.db2.gz YRZQUANSXKTBIO-UHFFFAOYSA-N 0 0 230.698 3.941 10 0 BHAERN COc1cc2ccccc2nc1-c1ccccc1 ZINC000032256796 175027097 /nfs/dbraw/zinc/02/70/97/175027097.db2.gz YWWRUNSROBYBES-UHFFFAOYSA-N 0 0 235.286 3.910 10 0 BHAERN Cc1c2ccccc2[nH]c(=O)c1-c1ccccc1 ZINC000032256798 343231187 /nfs/dbraw/zinc/23/11/87/343231187.db2.gz YESOXEMDYDGUKE-UHFFFAOYSA-N 0 0 235.286 3.504 10 0 BHAERN Cc1ccc2oc(=O)cc(-c3ccccc3)c2c1 ZINC000032257169 178986879 /nfs/dbraw/zinc/98/68/79/178986879.db2.gz KWOOQSLXFTYOTR-UHFFFAOYSA-N 0 0 236.270 3.768 10 0 in-vitro BHAERN Cc1ccc(N2CCC(c3ccccc3)=N2)cc1 ZINC000032257230 343231134 /nfs/dbraw/zinc/23/11/34/343231134.db2.gz AYHPHTPTBNMSGC-UHFFFAOYSA-N 0 0 236.318 3.609 10 0 BHAERN O=Cc1c2ccccc2nc2ccc(Cl)cc12 ZINC000032264221 345760289 /nfs/dbraw/zinc/76/02/89/345760289.db2.gz RIFBFKXUHZEDJO-UHFFFAOYSA-N 0 0 241.677 3.854 10 0 BHAERN COC(=O)c1ccccc1Oc1ccc(C)cc1 ZINC000032264345 385761440 /nfs/dbraw/zinc/76/14/40/385761440.db2.gz YUVWKZDKWYOCFL-UHFFFAOYSA-N 0 0 242.274 3.574 10 0 BHAERN COc1ccc(Cc2nccc3ccccc32)cc1 ZINC000032265203 345760740 /nfs/dbraw/zinc/76/07/40/345760740.db2.gz BYWUJWHEAQYATL-UHFFFAOYSA-N 0 0 249.313 3.834 10 0 BHAERN COc1ccc(/C=C/c2ccc(C=O)cc2)cc1 ZINC000032299114 641801912 /nfs/dbraw/zinc/80/19/12/641801912.db2.gz UQSGGQUYJJLACY-NSCUHMNNSA-N 0 0 238.286 3.678 10 0 BHAERN OCc1ccc2sc3ccccc3c2c1 ZINC000032302032 345760576 /nfs/dbraw/zinc/76/05/76/345760576.db2.gz IZHTWUZTKWTSDW-UHFFFAOYSA-N 0 0 214.289 3.547 10 0 BHAERN C/C(=C/c1ccc(O)cc1)c1ccc(O)cc1 ZINC000032304110 259520246 /nfs/dbraw/zinc/52/02/46/259520246.db2.gz PMNXCGMIMVLCRP-KHPPLWFESA-N 0 0 226.275 3.658 10 0 BHAERN COc1ccc2c(C)c(C)c(=S)oc2c1 ZINC000032500143 536962788 /nfs/dbraw/zinc/96/27/88/536962788.db2.gz FZUXDXIKCUIDDN-UHFFFAOYSA-N 0 0 220.293 3.788 10 0 BHAERN Cc1cccc2cc(Cl)c(Cl)nc12 ZINC000032500813 179226286 /nfs/dbraw/zinc/22/62/86/179226286.db2.gz VQHUEZAYINSNCZ-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Cc1ccc2nc(Cl)c(Cl)cc2c1 ZINC000032500815 178978416 /nfs/dbraw/zinc/97/84/16/178978416.db2.gz BGBLKNDMTUPLPD-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN COc1cccc2cc(Cl)c(Cl)nc21 ZINC000032500817 175306886 /nfs/dbraw/zinc/30/68/86/175306886.db2.gz MJJKAZROIOJTDW-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN COc1ccc2nc(Cl)c(Cl)cc2c1 ZINC000032500819 175228683 /nfs/dbraw/zinc/22/86/83/175228683.db2.gz KAFBCYZXWBYPDY-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN Fc1ccc2c(c1)S[C@H]1CCCC[C@@H]1N2 ZINC000032501048 180987180 /nfs/dbraw/zinc/98/71/80/180987180.db2.gz VDSWGZYFVADPMY-ONGXEEELSA-N 0 0 223.316 3.655 10 0 BHAERN Nc1cc[nH+]cc1-c1cc(Cl)ccc1Cl ZINC000032517833 343237189 /nfs/dbraw/zinc/23/71/89/343237189.db2.gz IDJLUACHXHRJEO-UHFFFAOYSA-N 0 0 239.105 3.638 10 0 BHAERN Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(C)C ZINC000032530610 188284088 /nfs/dbraw/zinc/28/40/88/188284088.db2.gz CAWCZINRAJXQDG-UHFFFAOYSA-N 0 0 243.350 3.583 10 0 BHAERN CCCCn1c(=O)cc(C)c2cc(C)cc(C)c21 ZINC000032530623 169032212 /nfs/dbraw/zinc/03/22/12/169032212.db2.gz DDOOHSRHGLTCNR-UHFFFAOYSA-N 0 0 243.350 3.727 10 0 BHAERN CC(C)Nc1nc(C(C)C)nc2ccccc21 ZINC000032545319 167149316 /nfs/dbraw/zinc/14/93/16/167149316.db2.gz AEOIIJFUECEZCS-UHFFFAOYSA-N 0 0 229.327 3.574 10 0 BHAERN Cc1ccc(/C=C2/OC(=O)c3ccccc32)cc1 ZINC000033280189 178356684 /nfs/dbraw/zinc/35/66/84/178356684.db2.gz HYLSWFOHDJRUGQ-XNTDXEJSSA-N 0 0 236.270 3.664 10 0 BHAERN Cc1ccccc1/C=C1/OC(=O)c2ccccc21 ZINC000033280190 179244019 /nfs/dbraw/zinc/24/40/19/179244019.db2.gz TUFDVWFQGACALX-XNTDXEJSSA-N 0 0 236.270 3.664 10 0 BHAERN O=Nc1c2ccccc2n(O)c1-c1ccccc1 ZINC000033368457 350163035 /nfs/dbraw/zinc/16/30/35/350163035.db2.gz RHTDPYNCUPXSPW-UHFFFAOYSA-N 0 0 238.246 3.944 10 0 BHAERN Cc1cc2oc(Cl)nc2c(C)c1Cl ZINC000033420168 178307260 /nfs/dbraw/zinc/30/72/60/178307260.db2.gz FMKMMCNONBRJFA-UHFFFAOYSA-N 0 0 216.067 3.751 10 0 BHAERN Clc1nc2cc(Cl)cc(Cl)c2o1 ZINC000033420171 343254008 /nfs/dbraw/zinc/25/40/08/343254008.db2.gz PWYDOMHIKFHJIW-UHFFFAOYSA-N 0 0 222.458 3.788 10 0 BHAERN Cc1ccc(-c2nc3cc(F)ccc3o2)cc1N ZINC000033420427 178336630 /nfs/dbraw/zinc/33/66/30/178336630.db2.gz OELPNQWQRCZVLC-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN C[C@@H]1CCC[C@@H](Oc2cc(Cl)ccc2N)C1 ZINC000033425102 176125482 /nfs/dbraw/zinc/12/54/82/176125482.db2.gz GMKRXGDYORQTTK-MWLCHTKSSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@H]1CCC[C@@H](Oc2cc(Cl)ccc2N)C1 ZINC000033425103 177123579 /nfs/dbraw/zinc/12/35/79/177123579.db2.gz GMKRXGDYORQTTK-GXSJLCMTSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@@H]1CCC[C@H](Oc2cc(Cl)ccc2N)C1 ZINC000033425104 176145923 /nfs/dbraw/zinc/14/59/23/176145923.db2.gz GMKRXGDYORQTTK-KOLCDFICSA-N 0 0 239.746 3.880 10 0 BHAERN C[C@H]1CCC[C@H](Oc2cc(Cl)ccc2N)C1 ZINC000033425105 177138479 /nfs/dbraw/zinc/13/84/79/177138479.db2.gz GMKRXGDYORQTTK-ONGXEEELSA-N 0 0 239.746 3.880 10 0 BHAERN Nc1ccc(Cl)cc1OC1CCCCC1 ZINC000033425112 181709686 /nfs/dbraw/zinc/70/96/86/181709686.db2.gz IMHHUYKXSULWDC-UHFFFAOYSA-N 0 0 225.719 3.634 10 0 BHAERN Clc1ccc2c(Br)c[nH]c2c1 ZINC000033426804 180585526 /nfs/dbraw/zinc/58/55/26/180585526.db2.gz RUCALMJLRFNHGD-UHFFFAOYSA-N 0 0 230.492 3.584 10 0 BHAERN Cc1cccc(C)c1-c1ccc(C=O)cc1 ZINC000033427269 179029432 /nfs/dbraw/zinc/02/94/32/179029432.db2.gz GHOKKBQLUTVXBO-UHFFFAOYSA-N 0 0 210.276 3.783 10 0 BHAERN COc1ccc(C=O)cc1-c1c(C)cccc1C ZINC000033427279 175086047 /nfs/dbraw/zinc/08/60/47/175086047.db2.gz XVYKUVSBTSTVCB-UHFFFAOYSA-N 0 0 240.302 3.792 10 0 BHAERN COc1ccc(C)cc1-c1ccc(C(C)=O)cc1 ZINC000033427576 175072057 /nfs/dbraw/zinc/07/20/57/175072057.db2.gz NWDQHLMAYWWLGA-UHFFFAOYSA-N 0 0 240.302 3.873 10 0 BHAERN O=Cc1cccc(-c2cc(Cl)ccc2O)c1 ZINC000033427798 642142277 /nfs/dbraw/zinc/14/22/77/642142277.db2.gz BKNGQAZEEWLTLE-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN O=Cc1ccc(-c2cc(Cl)ccc2O)cc1 ZINC000033427799 642141765 /nfs/dbraw/zinc/14/17/65/642141765.db2.gz QYWNTJWNQCQJED-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN O=Cc1cccc(-c2ccc(F)c(Cl)c2)c1 ZINC000033427804 642142406 /nfs/dbraw/zinc/14/24/06/642142406.db2.gz QOPADLRRILJQJB-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN Oc1ccc(-c2ccc3c(c2)CCCC3)cc1 ZINC000033427852 183264682 /nfs/dbraw/zinc/26/46/82/183264682.db2.gz SZJKHTMLINJAGR-UHFFFAOYSA-N 0 0 224.303 3.938 10 0 BHAERN COc1ccc(Cl)cc1-c1ccc(N)cc1 ZINC000033428027 175119411 /nfs/dbraw/zinc/11/94/11/175119411.db2.gz BYTAIFLUCCRNMN-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN COc1ccc(Cl)cc1-c1ccc(O)cc1 ZINC000033428028 175119944 /nfs/dbraw/zinc/11/99/44/175119944.db2.gz TVWDSAMPQBGHBO-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(Cl)cc1-c1cccc(C=O)c1 ZINC000033428029 175120047 /nfs/dbraw/zinc/12/00/47/175120047.db2.gz OSPSVIVOGJSFMQ-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN COc1ccc(Cl)cc1-c1ccc(C=O)cc1 ZINC000033428030 175119686 /nfs/dbraw/zinc/11/96/86/175119686.db2.gz GXMUVHJCYCOSHT-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN COc1ccc(-c2ccc(N)cc2)cc1Cl ZINC000033428044 175033793 /nfs/dbraw/zinc/03/37/93/175033793.db2.gz AODUZTMGROTJQS-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN COc1ccc(-c2ccc(O)cc2)cc1Cl ZINC000033428045 175034044 /nfs/dbraw/zinc/03/40/44/175034044.db2.gz DFLRMBTVMSZCJR-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(-c2cccc(C=O)c2)cc1Cl ZINC000033428046 175034107 /nfs/dbraw/zinc/03/41/07/175034107.db2.gz IJDKICVXVFQJLO-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN COc1ccc(-c2ccc(C=O)cc2)cc1Cl ZINC000033428047 175033225 /nfs/dbraw/zinc/03/32/25/175033225.db2.gz MGGYTOLVKTYBNL-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN Oc1ccc(-c2c[nH]c3ccccc32)cc1 ZINC000033428546 183264255 /nfs/dbraw/zinc/26/42/55/183264255.db2.gz YGTAABODIJLLHI-UHFFFAOYSA-N 0 0 209.248 3.541 10 0 BHAERN O=Cc1cccc(-c2c[nH]c3ccccc32)c1 ZINC000033428547 182870298 /nfs/dbraw/zinc/87/02/98/182870298.db2.gz WPQZNMAPOOUDRO-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN O=Cc1ccc(-c2c[nH]c3ccccc32)cc1 ZINC000033428548 182864467 /nfs/dbraw/zinc/86/44/67/182864467.db2.gz YIEZWROSPGHIPA-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN Oc1ccc(-c2ccc3ncccc3c2)cc1 ZINC000033428609 183263840 /nfs/dbraw/zinc/26/38/40/183263840.db2.gz VCFKPYYOZGHYGC-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN Cn1cc(-c2ccc(C=O)cc2)c2ccccc21 ZINC000033428623 642146783 /nfs/dbraw/zinc/14/67/83/642146783.db2.gz YSSQIOQTBDLBPG-UHFFFAOYSA-N 0 0 235.286 3.658 10 0 BHAERN O[C@@H](CCCc1ccccc1)C1CCCCC1 ZINC000033464796 183172416 /nfs/dbraw/zinc/17/24/16/183172416.db2.gz LQZVCMPEPZAYHI-INIZCTEOSA-N 0 0 232.367 3.951 10 0 BHAERN O[C@H](CCCc1ccccc1)C1CCCCC1 ZINC000033464797 183219227 /nfs/dbraw/zinc/21/92/27/183219227.db2.gz LQZVCMPEPZAYHI-MRXNPFEDSA-N 0 0 232.367 3.951 10 0 BHAERN CC(C)[C@H](O)Cc1ccc(Cl)c(Cl)c1 ZINC000033464851 187765892 /nfs/dbraw/zinc/76/58/92/187765892.db2.gz PWWGSRYURALIQY-LLVKDONJSA-N 0 0 233.138 3.553 10 0 BHAERN CC(C)[C@H](O)Cc1ccc(Cl)cc1Cl ZINC000033464853 344758179 /nfs/dbraw/zinc/75/81/79/344758179.db2.gz SDPFJZZLFKYGEL-LLVKDONJSA-N 0 0 233.138 3.553 10 0 BHAERN Nc1cc(OCc2ccccc2)ccc1Cl ZINC000033465059 344757685 /nfs/dbraw/zinc/75/76/85/344757685.db2.gz PTNFMGSHHRLWHW-UHFFFAOYSA-N 0 0 233.698 3.501 10 0 BHAERN COc1ccc([C@@H](O)C2CCCCC2)cc1C ZINC000033465191 175181036 /nfs/dbraw/zinc/18/10/36/175181036.db2.gz YUPJHPWGQKRLAS-HNNXBMFYSA-N 0 0 234.339 3.617 10 0 BHAERN COc1ccc([C@H](O)C2CCCCC2)cc1C ZINC000033465192 175193532 /nfs/dbraw/zinc/19/35/32/175193532.db2.gz YUPJHPWGQKRLAS-OAHLLOKOSA-N 0 0 234.339 3.617 10 0 BHAERN COc1ccc(C)cc1[C@@H](O)C1CCCCC1 ZINC000033465193 175080617 /nfs/dbraw/zinc/08/06/17/175080617.db2.gz BPRVDBSLRUXWRQ-HNNXBMFYSA-N 0 0 234.339 3.617 10 0 BHAERN COc1ccc(C)cc1[C@H](O)C1CCCCC1 ZINC000033465194 175082218 /nfs/dbraw/zinc/08/22/18/175082218.db2.gz BPRVDBSLRUXWRQ-OAHLLOKOSA-N 0 0 234.339 3.617 10 0 BHAERN Oc1cccc(OCc2ccccc2Cl)c1 ZINC000033465283 183292965 /nfs/dbraw/zinc/29/29/65/183292965.db2.gz YMTQOJHBYWLRNU-UHFFFAOYSA-N 0 0 234.682 3.625 10 0 BHAERN Oc1cccc(OCc2cccc(Cl)c2)c1 ZINC000033465284 183293099 /nfs/dbraw/zinc/29/30/99/183293099.db2.gz OPXPOESYKCTIOW-UHFFFAOYSA-N 0 0 234.682 3.625 10 0 BHAERN Oc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000033465285 183292991 /nfs/dbraw/zinc/29/29/91/183292991.db2.gz OSTALVRPSNAAOC-UHFFFAOYSA-N 0 0 234.682 3.625 10 0 BHAERN Cc1cccc2cc(C)c(Br)nc12 ZINC000033465666 178297391 /nfs/dbraw/zinc/29/73/91/178297391.db2.gz XRIKTTINFWWIMB-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN O[C@@H](Cc1ccccc1Cl)C1CCCCC1 ZINC000033466534 183183833 /nfs/dbraw/zinc/18/38/33/183183833.db2.gz WXJXGRUIWSNSPX-AWEZNQCLSA-N 0 0 238.758 3.824 10 0 BHAERN O[C@H](Cc1ccccc1Cl)C1CCCCC1 ZINC000033466535 183227444 /nfs/dbraw/zinc/22/74/44/183227444.db2.gz WXJXGRUIWSNSPX-CQSZACIVSA-N 0 0 238.758 3.824 10 0 BHAERN O[C@@H](Cc1cccc(Cl)c1)C1CCCCC1 ZINC000033466536 183183898 /nfs/dbraw/zinc/18/38/98/183183898.db2.gz RQQZXTJRANJKEM-AWEZNQCLSA-N 0 0 238.758 3.824 10 0 BHAERN O[C@H](Cc1cccc(Cl)c1)C1CCCCC1 ZINC000033466537 183227760 /nfs/dbraw/zinc/22/77/60/183227760.db2.gz RQQZXTJRANJKEM-CQSZACIVSA-N 0 0 238.758 3.824 10 0 BHAERN O[C@@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000033466538 183183891 /nfs/dbraw/zinc/18/38/91/183183891.db2.gz GZDYCFQCCNIVFI-AWEZNQCLSA-N 0 0 238.758 3.824 10 0 BHAERN O[C@H](Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000033466539 183227099 /nfs/dbraw/zinc/22/70/99/183227099.db2.gz GZDYCFQCCNIVFI-CQSZACIVSA-N 0 0 238.758 3.824 10 0 BHAERN CC(C)c1ccc(C(=O)c2cccc(N)c2)cc1 ZINC000033468731 356701065 /nfs/dbraw/zinc/70/10/65/356701065.db2.gz YGHLMFCHMDWBSP-UHFFFAOYSA-N 0 0 239.318 3.623 10 0 BHAERN COc1ccc(-c2ccc(C(C)=O)cc2)cc1C ZINC000033468962 175032905 /nfs/dbraw/zinc/03/29/05/175032905.db2.gz KKVJKKGHKZTTEK-UHFFFAOYSA-N 0 0 240.302 3.873 10 0 BHAERN COc1ccc(-c2cccc(C(C)=O)c2)cc1C ZINC000033468965 175034554 /nfs/dbraw/zinc/03/45/54/175034554.db2.gz UJGBMEMGKMCXIP-UHFFFAOYSA-N 0 0 240.302 3.873 10 0 BHAERN COc1ccc(-c2cccc(C(C)=O)c2)c(C)c1 ZINC000033468967 175034581 /nfs/dbraw/zinc/03/45/81/175034581.db2.gz HKECGPGWZWSWEV-UHFFFAOYSA-N 0 0 240.302 3.873 10 0 BHAERN COc1ccc(C)cc1-c1cccc(C(C)=O)c1 ZINC000033468968 175072111 /nfs/dbraw/zinc/07/21/11/175072111.db2.gz NYJRKGVEOOCIRJ-UHFFFAOYSA-N 0 0 240.302 3.873 10 0 BHAERN CC(C)Oc1ccc(-c2ccc(C=O)cc2)cc1 ZINC000033468970 167289212 /nfs/dbraw/zinc/28/92/12/167289212.db2.gz YZFLJPRROATLRQ-UHFFFAOYSA-N 0 0 240.302 3.953 10 0 BHAERN CC(C)Oc1ccc(-c2cccc(C=O)c2)cc1 ZINC000033468971 167287917 /nfs/dbraw/zinc/28/79/17/167287917.db2.gz DBZKUNGQKCSIEE-UHFFFAOYSA-N 0 0 240.302 3.953 10 0 BHAERN CCN(Cc1ccccc1C)c1cccc(N)c1 ZINC000033469028 169918228 /nfs/dbraw/zinc/91/82/28/169918228.db2.gz MWAPZBOGKZYYGB-UHFFFAOYSA-N 0 0 240.350 3.604 10 0 BHAERN COc1ccccc1CNc1c(C)cccc1C ZINC000033469309 175331656 /nfs/dbraw/zinc/33/16/56/175331656.db2.gz XNSVHNCBRFRNBE-UHFFFAOYSA-N 0 0 241.334 3.924 10 0 BHAERN COc1ccc(CNc2c(C)cccc2C)cc1 ZINC000033469313 175112733 /nfs/dbraw/zinc/11/27/33/175112733.db2.gz PUFOZPQNBILEMI-UHFFFAOYSA-N 0 0 241.334 3.924 10 0 BHAERN Cc1ccc(OCCCc2ccccc2)cc1N ZINC000033469458 187593400 /nfs/dbraw/zinc/59/34/00/187593400.db2.gz IZQYJAHBCHVMQT-UHFFFAOYSA-N 0 0 241.334 3.589 10 0 BHAERN Cc1ccc(-c2ccc3c(c2)CCN3)cc1C ZINC000033487694 178325333 /nfs/dbraw/zinc/32/53/33/178325333.db2.gz DQKQNNCCKIQJEQ-UHFFFAOYSA-N 0 0 223.319 3.938 10 0 BHAERN c1ccc(C[C@@H]2Nc3ccccc3S2)cc1 ZINC000033493671 345800179 /nfs/dbraw/zinc/80/01/79/345800179.db2.gz ISKNSUNYZSONGW-CQSZACIVSA-N 0 0 227.332 3.773 10 0 BHAERN c1ccc(C[C@H]2Nc3ccccc3S2)cc1 ZINC000033493672 345800031 /nfs/dbraw/zinc/80/00/31/345800031.db2.gz ISKNSUNYZSONGW-AWEZNQCLSA-N 0 0 227.332 3.773 10 0 BHAERN CCN1c2ccccc2S[C@@H]1c1ccncc1 ZINC000033493701 345799850 /nfs/dbraw/zinc/79/98/50/345799850.db2.gz NPDJRRUGZSYMLS-CQSZACIVSA-N 0 0 242.347 3.712 10 0 BHAERN CCN1c2ccccc2S[C@H]1c1ccncc1 ZINC000033493702 345799914 /nfs/dbraw/zinc/79/99/14/345799914.db2.gz NPDJRRUGZSYMLS-AWEZNQCLSA-N 0 0 242.347 3.712 10 0 BHAERN CC[C@@]1(c2ccccn2)Nc2ccccc2S1 ZINC000033493705 345799853 /nfs/dbraw/zinc/79/98/53/345799853.db2.gz UEQUNCNCSWJXQT-CQSZACIVSA-N 0 0 242.347 3.862 10 0 BHAERN CC[C@]1(c2ccccn2)Nc2ccccc2S1 ZINC000033493706 345800209 /nfs/dbraw/zinc/80/02/09/345800209.db2.gz UEQUNCNCSWJXQT-AWEZNQCLSA-N 0 0 242.347 3.862 10 0 BHAERN Cc1ccc2c(c1)N[C@H](c1ccccn1)S2 ZINC000033493712 343255421 /nfs/dbraw/zinc/25/54/21/343255421.db2.gz CGDRVEIRHJRPEQ-ZDUSSCGKSA-N 0 0 228.320 3.606 10 0 BHAERN Cc1ccc2c(c1)N[C@@H](c1ccccn1)S2 ZINC000033493713 178947789 /nfs/dbraw/zinc/94/77/89/178947789.db2.gz CGDRVEIRHJRPEQ-CYBMUJFWSA-N 0 0 228.320 3.606 10 0 BHAERN Cc1ccc([C@@H]2C[C@@H](O)c3ccccc3O2)cc1 ZINC000033495063 178876761 /nfs/dbraw/zinc/87/67/61/178876761.db2.gz KMPBJJDXZJPPEI-ZBFHGGJFSA-N 0 0 240.302 3.552 10 0 BHAERN Cc1ccc([C@@H]2C[C@H](O)c3ccccc3O2)cc1 ZINC000033495067 178876451 /nfs/dbraw/zinc/87/64/51/178876451.db2.gz KMPBJJDXZJPPEI-HOCLYGCPSA-N 0 0 240.302 3.552 10 0 BHAERN CCOP(=O)(OCC)Oc1cccc(C)c1 ZINC000033505937 345801800 /nfs/dbraw/zinc/80/18/00/345801800.db2.gz GCSDSLXAMQEUKU-UHFFFAOYSA-N 0 0 244.227 3.555 10 0 BHAERN Cc1cc([C@@H](C)c2ccccc2)ccc1O ZINC000033506424 178233987 /nfs/dbraw/zinc/23/39/87/178233987.db2.gz JNDJWNJPQORYBX-LBPRGKRZSA-N 0 0 212.292 3.852 10 0 BHAERN Cc1cc([C@H](C)c2ccccc2)ccc1O ZINC000033506425 178259619 /nfs/dbraw/zinc/25/96/19/178259619.db2.gz JNDJWNJPQORYBX-GFCCVEGCSA-N 0 0 212.292 3.852 10 0 BHAERN Oc1c(Cl)cccc1Cc1ccccc1 ZINC000033506426 190985114 /nfs/dbraw/zinc/98/51/14/190985114.db2.gz WBPAVXSLTANIFJ-UHFFFAOYSA-N 0 0 218.683 3.636 10 0 BHAERN Cc1cc(C2=C(C)CCCC2(C)C)on1 ZINC000033506445 168088675 /nfs/dbraw/zinc/08/86/75/168088675.db2.gz QVKQFCMMIVRMCV-UHFFFAOYSA-N 0 0 205.301 3.967 10 0 BHAERN Cc1cc([C@H]2C(C)=CCCC2(C)C)on1 ZINC000033506447 188271645 /nfs/dbraw/zinc/27/16/45/188271645.db2.gz UEBXVANRKDLJNF-GFCCVEGCSA-N 0 0 205.301 3.833 10 0 BHAERN CCCCCn1cc(C=O)c2ccccc21 ZINC000033509201 343141964 /nfs/dbraw/zinc/14/19/64/343141964.db2.gz UBFRFOWQRHRMHL-UHFFFAOYSA-N 0 0 215.296 3.644 10 0 BHAERN CC(C)CNC(=O)/C=C\c1ccc(C(C)C)cc1 ZINC000033553198 343256719 /nfs/dbraw/zinc/25/67/19/343256719.db2.gz QIRANKRJVMTKON-YFHOEESVSA-N 0 0 245.366 3.595 10 0 BHAERN Oc1ccccc1Oc1nc2ccccc2s1 ZINC000033605782 183304261 /nfs/dbraw/zinc/30/42/61/183304261.db2.gz MZODOBBOQXPSNU-UHFFFAOYSA-N 0 0 243.287 3.794 10 0 BHAERN Cc1ccc2c(c1)C(=O)C[C@@H]2c1ccc(F)cc1 ZINC000033606941 345806449 /nfs/dbraw/zinc/80/64/49/345806449.db2.gz DMZGDJOWXYJRMX-CQSZACIVSA-N 0 0 240.277 3.852 10 0 BHAERN Cc1ccc2c(c1)C(=O)C[C@H]2c1ccc(F)cc1 ZINC000033606943 345806422 /nfs/dbraw/zinc/80/64/22/345806422.db2.gz DMZGDJOWXYJRMX-AWEZNQCLSA-N 0 0 240.277 3.852 10 0 BHAERN COC(CCc1ccc(C(C)(C)C)cc1)OC ZINC000033607675 385253795 /nfs/dbraw/zinc/25/37/95/385253795.db2.gz HVZIFEPQRGVYQS-UHFFFAOYSA-N 0 0 236.355 3.536 10 0 BHAERN CC(C)c1ccc(CCc2ccccn2)cc1 ZINC000033607917 385254541 /nfs/dbraw/zinc/25/45/41/385254541.db2.gz XENMERBMHPXJGA-UHFFFAOYSA-N 0 0 225.335 3.990 10 0 BHAERN COc1ccc(Nc2ccc(OC)c(C)c2)cc1 ZINC000033608294 322900097 /nfs/dbraw/zinc/90/00/97/322900097.db2.gz RSMQZCBRDKTDEH-UHFFFAOYSA-N 0 0 243.306 3.756 10 0 BHAERN CC(C)CC(=O)OCCCC1CCCCC1 ZINC000033611028 166774072 /nfs/dbraw/zinc/77/40/72/166774072.db2.gz UBRSOJDKMYAROK-UHFFFAOYSA-N 0 0 226.360 3.936 10 0 BHAERN CC1=CCCC(C)(C)[C@@H]1[C@@H]1CC(=O)O[C@H](C)C1 ZINC000033637402 188452257 /nfs/dbraw/zinc/45/22/57/188452257.db2.gz BAIZNVNREZOVOH-DYEKYZERSA-N 0 0 236.355 3.711 10 0 BHAERN CC1=CCCC(C)(C)[C@@H]1[C@@H]1CC(=O)O[C@@H](C)C1 ZINC000033637404 188098862 /nfs/dbraw/zinc/09/88/62/188098862.db2.gz BAIZNVNREZOVOH-OBJOEFQTSA-N 0 0 236.355 3.711 10 0 BHAERN CC1=C([C@@H]2CC(=O)O[C@H](C)C2)C(C)(C)CCC1 ZINC000033637409 168087611 /nfs/dbraw/zinc/08/76/11/168087611.db2.gz ONIZTRJZTIXSPV-NEPJUHHUSA-N 0 0 236.355 3.855 10 0 BHAERN CC1=C([C@@H]2CC(=O)O[C@@H](C)C2)C(C)(C)CCC1 ZINC000033637410 168088835 /nfs/dbraw/zinc/08/88/35/168088835.db2.gz ONIZTRJZTIXSPV-RYUDHWBXSA-N 0 0 236.355 3.855 10 0 BHAERN CC1=C([C@H]2CC(=O)O[C@H](C)C2)C(C)(C)CCC1 ZINC000033637412 168087589 /nfs/dbraw/zinc/08/75/89/168087589.db2.gz ONIZTRJZTIXSPV-VXGBXAGGSA-N 0 0 236.355 3.855 10 0 BHAERN CC1=C([C@H]2CC(=O)O[C@@H](C)C2)C(C)(C)CCC1 ZINC000033637414 168088601 /nfs/dbraw/zinc/08/86/01/168088601.db2.gz ONIZTRJZTIXSPV-NWDGAFQWSA-N 0 0 236.355 3.855 10 0 BHAERN COC(OC)C(C)(C)CC1CCCCC1 ZINC000033637492 173965022 /nfs/dbraw/zinc/96/50/22/173965022.db2.gz WPUQECAAGCCMEZ-UHFFFAOYSA-N 0 0 214.349 3.602 10 0 BHAERN Cc1ccccc1S[C@H]1CCCCO1 ZINC000033637555 179315662 /nfs/dbraw/zinc/31/56/62/179315662.db2.gz FASJGHIXLJLMTG-LBPRGKRZSA-N 0 0 208.326 3.614 10 0 BHAERN CC(C)[C@H]1CC=C(C[C@@H]2CCOC2)CC1 ZINC000033637684 188271167 /nfs/dbraw/zinc/27/11/67/188271167.db2.gz YRNDMIZMABKVBZ-KBPBESRZSA-N 0 0 208.345 3.796 10 0 BHAERN CC(C)[C@H]1CC=C(C[C@H]2CCOC2)CC1 ZINC000033637688 187923523 /nfs/dbraw/zinc/92/35/23/187923523.db2.gz YRNDMIZMABKVBZ-KGLIPLIRSA-N 0 0 208.345 3.796 10 0 BHAERN CC1=CC[C@H]([C@@H](C)C[C@@H]2CCCO2)CC1 ZINC000033637710 168121702 /nfs/dbraw/zinc/12/17/02/168121702.db2.gz ODEPOTOWUZWOLA-IHRRRGAJSA-N 0 0 208.345 3.938 10 0 BHAERN CC1=CC[C@H]([C@H](C)C[C@@H]2CCCO2)CC1 ZINC000033637713 168121347 /nfs/dbraw/zinc/12/13/47/168121347.db2.gz ODEPOTOWUZWOLA-RDBSUJKOSA-N 0 0 208.345 3.938 10 0 BHAERN C[C@@H]1c2cc(O)ccc2-c2ccccc2N1C ZINC000033645707 132336019 /nfs/dbraw/zinc/33/60/19/132336019.db2.gz ATSFUYVILMFLAW-SNVBAGLBSA-N 0 0 225.291 3.570 10 0 BHAERN C[C@H]1c2cc(O)ccc2-c2ccccc2N1C ZINC000033645709 132336056 /nfs/dbraw/zinc/33/60/56/132336056.db2.gz ATSFUYVILMFLAW-JTQLQIEISA-N 0 0 225.291 3.570 10 0 BHAERN Cc1ccc2c(c1)/C(=C\c1ccccc1C)C(=O)N2 ZINC000033721350 178942912 /nfs/dbraw/zinc/94/29/12/178942912.db2.gz PPVWIMFCTNWERR-XNTDXEJSSA-N 0 0 249.313 3.796 10 0 BHAERN O=C1C[C@H](c2ccccc2)Oc2cc(F)ccc21 ZINC000033814409 182785321 /nfs/dbraw/zinc/78/53/21/182785321.db2.gz SZNYRENOXQIQMR-CQSZACIVSA-N 0 0 242.249 3.532 10 0 in-vivo BHAERN Oc1ccccc1Cc1nc2ccccc2s1 ZINC000033815366 343261590 /nfs/dbraw/zinc/26/15/90/343261590.db2.gz RBSLHDVFLWNYKI-UHFFFAOYSA-N 0 0 241.315 3.593 10 0 BHAERN CCCCOc1ccc(N)c2ccccc12 ZINC000033824033 168918539 /nfs/dbraw/zinc/91/85/39/168918539.db2.gz GVTCOUMYQKHTPF-UHFFFAOYSA-N 0 0 215.296 3.601 10 0 BHAERN CC(=O)CCc1ccc(-c2ccccc2)cc1 ZINC000033826126 188111166 /nfs/dbraw/zinc/11/11/66/188111166.db2.gz NVIAWOHXGFMHCC-UHFFFAOYSA-N 0 0 224.303 3.875 10 0 BHAERN CC1=C[C@H]2[C@H](C(C)C)CC[C@@](C)(O)[C@H]2CC1 ZINC000033830025 560088999 /nfs/dbraw/zinc/08/89/99/560088999.db2.gz LHYHMMRYTDARSZ-ZQDZILKHSA-N 0 0 222.372 3.776 10 0 biogenic,in-vitro BHAERN O=C(/C=C/c1ccccc1)CCc1ccccc1 ZINC000033844893 345812162 /nfs/dbraw/zinc/81/21/62/345812162.db2.gz ANHYOUHPSDBMDX-ACCUITESSA-N 0 0 236.314 3.902 10 0 BHAERN COc1cccc(/C=C/c2ccccc2)c1 ZINC000033847101 345812541 /nfs/dbraw/zinc/81/25/41/345812541.db2.gz LZINUFCUTQOYOO-ZHACJKMWSA-N 0 0 210.276 3.866 10 0 BHAERN O=C1CCCCCC[C@H]1Cc1ccccc1 ZINC000033852244 345812215 /nfs/dbraw/zinc/81/22/15/345812215.db2.gz XVPYEGUVJMPSJN-AWEZNQCLSA-N 0 0 216.324 3.769 10 0 BHAERN O=C1CCCCCC[C@@H]1Cc1ccccc1 ZINC000033852245 345812398 /nfs/dbraw/zinc/81/23/98/345812398.db2.gz XVPYEGUVJMPSJN-CQSZACIVSA-N 0 0 216.324 3.769 10 0 BHAERN CCn1c2ccccc2c2cc(C)nc(C)c21 ZINC000033853771 172149330 /nfs/dbraw/zinc/14/93/30/172149330.db2.gz UFTVPZQFCDAAJQ-UHFFFAOYSA-N 0 0 224.307 3.826 10 0 BHAERN Clc1cccc(Cl)c1Nc1ncccn1 ZINC000033854838 180591321 /nfs/dbraw/zinc/59/13/21/180591321.db2.gz RQHCTLPUMQYABP-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN N=C(Nc1ccccc1)c1cc2ccccc2o1 ZINC000033866789 181200504 /nfs/dbraw/zinc/20/05/04/181200504.db2.gz YTZBDAPRURVVOX-UHFFFAOYSA-N 0 0 236.274 3.870 10 0 BHAERN c1cn2c3c(nc2s1)C1=CCCC[C@@H]1CC3 ZINC000033872426 345813477 /nfs/dbraw/zinc/81/34/77/345813477.db2.gz DIXMNRFCQHQODK-SECBINFHSA-N 0 0 230.336 3.526 10 0 BHAERN c1cn2c3c(nc2s1)C1=CCCC[C@H]1CC3 ZINC000033872428 345813084 /nfs/dbraw/zinc/81/30/84/345813084.db2.gz DIXMNRFCQHQODK-VIFPVBQESA-N 0 0 230.336 3.526 10 0 BHAERN Clc1ccc([C@@H]2NCCCS2)cc1Cl ZINC000033876554 343262220 /nfs/dbraw/zinc/26/22/20/343262220.db2.gz BIBNZWBSIFDROT-SNVBAGLBSA-N 0 0 248.178 3.719 10 0 BHAERN Clc1ccc([C@H]2NCCCS2)cc1Cl ZINC000033876556 343261904 /nfs/dbraw/zinc/26/19/04/343261904.db2.gz BIBNZWBSIFDROT-JTQLQIEISA-N 0 0 248.178 3.719 10 0 BHAERN O[C@@H](c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000033884964 183228560 /nfs/dbraw/zinc/22/85/60/183228560.db2.gz NIDNSGORHMQLTR-OAHLLOKOSA-N 0 0 242.249 3.654 10 0 BHAERN O[C@H](c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000033884965 183184619 /nfs/dbraw/zinc/18/46/19/183184619.db2.gz NIDNSGORHMQLTR-HNNXBMFYSA-N 0 0 242.249 3.654 10 0 BHAERN Cc1nc[nH]c1CSCCCc1ccccc1 ZINC000033898590 180121738 /nfs/dbraw/zinc/12/17/38/180121738.db2.gz KUNYDXDGBJPZHF-UHFFFAOYSA-N 0 0 246.379 3.584 10 0 BHAERN CC(C)(C)CCSCCc1ccncc1 ZINC000033899947 343262484 /nfs/dbraw/zinc/26/24/84/343262484.db2.gz HNILDULMLSAZOK-UHFFFAOYSA-N 0 0 223.385 3.794 10 0 BHAERN CC1(C)C[C@]2(O)[C@@]3(C)CCC[C@]2(C)CC[C@@H]13 ZINC000033903362 187257049 /nfs/dbraw/zinc/25/70/49/187257049.db2.gz QOXUIQMPPDIDGM-PMOUVXMZSA-N 0 0 222.372 3.754 10 0 biogenic,in-vitro BHAERN CCOC(OCC)C12CC3CC(CC(C3)C1)C2 ZINC000033945251 345945262 /nfs/dbraw/zinc/94/52/62/345945262.db2.gz SKUZYZLWUADQHD-UHFFFAOYSA-N 0 0 238.371 3.602 10 0 BHAERN CC1=C[C@H]2[C@@H](CC1)[C@@](C)(O)CC[C@H]2C(C)C ZINC000033950651 574414135 /nfs/dbraw/zinc/41/41/35/574414135.db2.gz LHYHMMRYTDARSZ-YJNKXOJESA-N 0 0 222.372 3.776 10 0 endogenous,in-man BHAERN C[C@@H]1CCC[C@@]2(C)CC[C@H](C(C)(C)O)C=C12 ZINC000033950748 571748015 /nfs/dbraw/zinc/74/80/15/571748015.db2.gz SRHDLIDOZXPROB-XUJVJEKNSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN CC1=C[C@@H]2[C@H](C(C)C)CC[C@@](C)(O)[C@H]2CC1 ZINC000033950766 574414138 /nfs/dbraw/zinc/41/41/38/574414138.db2.gz LHYHMMRYTDARSZ-LJISPDSOSA-N 0 0 222.372 3.776 10 0 endogenous,in-man BHAERN C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC(=O)[C@@H]3C ZINC000033952285 177056828 /nfs/dbraw/zinc/05/68/28/177056828.db2.gz CHPQWDBBFXQHQC-RXHHHXIQSA-N 0 0 220.356 3.674 10 0 BHAERN C/C=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C ZINC000033954913 350251587 /nfs/dbraw/zinc/25/15/87/350251587.db2.gz VLGRWXYRKYWRPX-SRGJGADKSA-N 0 0 247.382 3.784 10 0 biogenic,in-vitro BHAERN Cc1ccc(-n2ccc3ccccc32)cc1 ZINC000033961781 178347265 /nfs/dbraw/zinc/34/72/65/178347265.db2.gz ROVUACXZYQYJQS-UHFFFAOYSA-N 0 0 207.276 3.939 10 0 BHAERN CC(=O)c1ccc(OCc2ccccc2)s1 ZINC000033962105 385268866 /nfs/dbraw/zinc/26/88/66/385268866.db2.gz SFQJQWFWQJSJHZ-UHFFFAOYSA-N 0 0 232.304 3.530 10 0 BHAERN Fc1ccc(-c2cc(-c3cccs3)n[nH]2)cc1 ZINC000033962278 345813995 /nfs/dbraw/zinc/81/39/95/345813995.db2.gz FHPFRYYUJKIGRS-UHFFFAOYSA-N 0 0 244.294 3.944 10 0 BHAERN Cc1nc2cc(Cl)c(Cl)cc2nc1Cl ZINC000033962330 180080148 /nfs/dbraw/zinc/08/01/48/180080148.db2.gz BGHYEKFIVMFWRP-UHFFFAOYSA-N 0 0 247.512 3.898 10 0 BHAERN CCC(=O)c1ccc(Oc2ccc(O)cc2)cc1 ZINC000033975905 345814120 /nfs/dbraw/zinc/81/41/20/345814120.db2.gz LEHRBPBVTWACMT-UHFFFAOYSA-N 0 0 242.274 3.777 10 0 BHAERN c1nc(C[C@@H]2CCC3=C(CCCC3)C2)c[nH]1 ZINC000033992531 345814799 /nfs/dbraw/zinc/81/47/99/345814799.db2.gz MXJKNSWRBCTLNU-LLVKDONJSA-N 0 0 216.328 3.623 10 0 BHAERN c1nc(C[C@H]2CCC3=C(CCCC3)C2)c[nH]1 ZINC000033992532 345814730 /nfs/dbraw/zinc/81/47/30/345814730.db2.gz MXJKNSWRBCTLNU-NSHDSACASA-N 0 0 216.328 3.623 10 0 BHAERN Cc1nc2c(s1)Cc1cc(Cl)ccc1-2 ZINC000033994355 346173581 /nfs/dbraw/zinc/17/35/81/346173581.db2.gz SEPKBICUAPMRII-UHFFFAOYSA-N 0 0 221.712 3.676 10 0 BHAERN Nc1cccnc1-c1ccc(Cl)cc1Cl ZINC000034002651 188012109 /nfs/dbraw/zinc/01/21/09/188012109.db2.gz NXVZBMDRYGLJMH-UHFFFAOYSA-N 0 0 239.105 3.638 10 0 BHAERN S=c1ssc2c1CCCCC2 ZINC000034017093 183315629 /nfs/dbraw/zinc/31/56/29/183315629.db2.gz RDSWYYMWWCLJQJ-UHFFFAOYSA-N 0 0 202.369 3.808 10 0 BHAERN CCCCc1cc2cc(NC(C)=O)ccc2o1 ZINC000034017440 169018511 /nfs/dbraw/zinc/01/85/11/169018511.db2.gz WVXHYEWVZRKYIB-UHFFFAOYSA-N 0 0 231.295 3.734 10 0 BHAERN CC(C)(C)SC(=S)c1ccccc1 ZINC000034027653 259311732 /nfs/dbraw/zinc/31/17/32/259311732.db2.gz NNADJWNJTLVMSL-UHFFFAOYSA-N 0 0 210.367 3.894 10 0 BHAERN OCCCC1c2ccccc2-c2ccccc21 ZINC000034062398 345813334 /nfs/dbraw/zinc/81/33/34/345813334.db2.gz MIBNKRZDAABGGV-UHFFFAOYSA-N 0 0 224.303 3.571 10 0 BHAERN CCCCCCc1cc2c(cc1O)C(=O)CC2 ZINC000034062770 345813355 /nfs/dbraw/zinc/81/33/55/345813355.db2.gz CHSZXQDXVMMOGY-UHFFFAOYSA-N 0 0 232.323 3.644 10 0 BHAERN COc1ccc(CCCCCCCCO)cc1 ZINC000034062966 345813251 /nfs/dbraw/zinc/81/32/51/345813251.db2.gz CLMVSPFUPYYSAI-UHFFFAOYSA-N 0 0 236.355 3.571 10 0 BHAERN C[C@H]1OC2(CCC(C(C)(C)C)CC2)O[C@H]1C ZINC000034064687 187321131 /nfs/dbraw/zinc/32/11/31/187321131.db2.gz RTRJMEYMKAXBNK-KCXRBIIJSA-N 0 0 226.360 3.743 10 0 BHAERN C[C@@H]1OC2(CCC(C(C)(C)C)CC2)O[C@H]1C ZINC000034064688 188012827 /nfs/dbraw/zinc/01/28/27/188012827.db2.gz RTRJMEYMKAXBNK-QWRGUYRKSA-N 0 0 226.360 3.743 10 0 BHAERN C[C@@]12CC(C)(C)CC(=O)[C@H]1[C@H]1[C@@H]2[C@H]2CC[C@@H]1C2 ZINC000034064932 167883836 /nfs/dbraw/zinc/88/38/36/167883836.db2.gz JNPCAUBXOJEGKN-HAMJWNPCSA-N 0 0 232.367 3.674 10 0 BHAERN CCC(C)(C)C1CCC2(CC1)OCCCO2 ZINC000034064998 168270848 /nfs/dbraw/zinc/27/08/48/168270848.db2.gz SBNZDZRTYKBQSF-UHFFFAOYSA-N 0 0 226.360 3.746 10 0 BHAERN Cc1ccnc2nc(Nc3ccccc3)sc21 ZINC000034068853 187257259 /nfs/dbraw/zinc/25/72/59/187257259.db2.gz WNYRHLBBHUHEDD-UHFFFAOYSA-N 0 0 241.319 3.743 10 0 BHAERN Cc1ccc2sc(Nc3ccccc3)nc2n1 ZINC000034068854 343263668 /nfs/dbraw/zinc/26/36/68/343263668.db2.gz YMWPREKYCRSRQJ-UHFFFAOYSA-N 0 0 241.319 3.743 10 0 BHAERN Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1Cl ZINC000034069817 346189260 /nfs/dbraw/zinc/18/92/60/346189260.db2.gz PLJKHCARWCTSAY-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN Cc1ccccc1-c1ccc(Cl)nc1 ZINC000034076620 179235155 /nfs/dbraw/zinc/23/51/55/179235155.db2.gz JQVMESOJEFCHJM-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN CCOP(=O)(OCC)C1CCCCC1 ZINC000034077387 345816206 /nfs/dbraw/zinc/81/62/06/345816206.db2.gz CBAJXOXPGBXGDX-UHFFFAOYSA-N 0 0 220.249 3.585 10 0 BHAERN O[C@H]1CCCC[C@@H]1Sc1ccc(Cl)cc1 ZINC000034077659 343141856 /nfs/dbraw/zinc/14/18/56/343141856.db2.gz QVZIUDRMLJCUJN-RYUDHWBXSA-N 0 0 242.771 3.736 10 0 BHAERN Oc1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000034077768 183299273 /nfs/dbraw/zinc/29/92/73/183299273.db2.gz KUECPOPLVHZRPB-UHFFFAOYSA-N 0 0 237.258 3.714 10 0 BHAERN CCc1nc2ccccc2n1-c1ccccc1 ZINC000034080110 345816612 /nfs/dbraw/zinc/81/66/12/345816612.db2.gz RQOQWDUPDREICZ-UHFFFAOYSA-N 0 0 222.291 3.588 10 0 BHAERN O[C@@H]1CCCC[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000034081953 345816339 /nfs/dbraw/zinc/81/63/39/345816339.db2.gz DYHDYUAUBPIUME-NUZPCDMLSA-N 0 0 234.383 3.754 10 0 BHAERN O[C@@H]1CCCC[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000034081958 345816468 /nfs/dbraw/zinc/81/64/68/345816468.db2.gz DYHDYUAUBPIUME-YOZYCGELSA-N 0 0 234.383 3.754 10 0 BHAERN CC[C@H](C)[C@@H]1C[C@H](Cc2ccccc2)SC1=O ZINC000034083871 345816319 /nfs/dbraw/zinc/81/63/19/345816319.db2.gz BGCYZMXAVKUSEX-UBHSHLNASA-N 0 0 248.391 3.924 10 0 BHAERN CC[C@H](C)[C@H]1C[C@H](Cc2ccccc2)SC1=O ZINC000034083877 345816123 /nfs/dbraw/zinc/81/61/23/345816123.db2.gz BGCYZMXAVKUSEX-FPMFFAJLSA-N 0 0 248.391 3.924 10 0 BHAERN CC(=O)c1cc(-c2ccccc2)cs1 ZINC000034085760 343264379 /nfs/dbraw/zinc/26/43/79/343264379.db2.gz DGPMAEGGTASVJO-UHFFFAOYSA-N 0 0 202.278 3.618 10 0 BHAERN O=Cc1c(F)cc(F)cc1-c1ccc(F)cc1 ZINC000034087644 345816422 /nfs/dbraw/zinc/81/64/22/345816422.db2.gz OQOXGGMBRFSPJC-UHFFFAOYSA-N 0 0 236.192 3.583 10 0 BHAERN Cc1cc(C)c(C=O)c(-c2ccc(F)cc2)c1 ZINC000034087645 345816618 /nfs/dbraw/zinc/81/66/18/345816618.db2.gz LIAYPRRDRLEHOH-UHFFFAOYSA-N 0 0 228.266 3.922 10 0 BHAERN Fc1oc(-c2ccc(F)cc2)nc1C(F)(F)F ZINC000034087684 368374588 /nfs/dbraw/zinc/37/45/88/368374588.db2.gz ILKANBTXLJNDDC-UHFFFAOYSA-N 0 0 249.138 3.639 10 0 BHAERN CCOc1cccc(Nc2ccccc2)c1 ZINC000034101699 170582988 /nfs/dbraw/zinc/58/29/88/170582988.db2.gz ZZZQPNICTIZSQR-UHFFFAOYSA-N 0 0 213.280 3.829 10 0 BHAERN CCOC(=O)[C@@H](C)c1cccc2ccccc21 ZINC000034101927 346193411 /nfs/dbraw/zinc/19/34/11/346193411.db2.gz IZPFPKSKRZEOLX-NSHDSACASA-N 0 0 228.291 3.506 10 0 BHAERN CCOC(=O)[C@H](C)c1cccc2ccccc21 ZINC000034101928 346193384 /nfs/dbraw/zinc/19/33/84/346193384.db2.gz IZPFPKSKRZEOLX-LLVKDONJSA-N 0 0 228.291 3.506 10 0 BHAERN COc1ccc2c(ccn2-c2ccccc2)c1 ZINC000034102397 343264525 /nfs/dbraw/zinc/26/45/25/343264525.db2.gz OOCUGGYSDYJACZ-UHFFFAOYSA-N 0 0 223.275 3.639 10 0 BHAERN c1ccc(-c2ccc(CC3COC3)cc2)cc1 ZINC000034117149 345817188 /nfs/dbraw/zinc/81/71/88/345817188.db2.gz LVAXFIZYEQBYME-UHFFFAOYSA-N 0 0 224.303 3.543 10 0 BHAERN CC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000034117434 346199073 /nfs/dbraw/zinc/19/90/73/346199073.db2.gz VPINTBXCWAZGLU-ZETCQYMHSA-N 0 0 231.122 3.761 10 0 BHAERN CC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000034117435 346199138 /nfs/dbraw/zinc/19/91/38/346199138.db2.gz VPINTBXCWAZGLU-SSDOTTSWSA-N 0 0 231.122 3.761 10 0 BHAERN CC1=CC(=O)O[C@H](C2=C(C)CCCC2(C)C)C1 ZINC000034117839 350255660 /nfs/dbraw/zinc/25/56/60/350255660.db2.gz CRRNWIDSIFBFBB-LBPRGKRZSA-N 0 0 234.339 3.775 10 0 BHAERN CC1=CC(=O)O[C@@H](C2=C(C)CCCC2(C)C)C1 ZINC000034117840 346200037 /nfs/dbraw/zinc/20/00/37/346200037.db2.gz CRRNWIDSIFBFBB-GFCCVEGCSA-N 0 0 234.339 3.775 10 0 BHAERN CC(C)Oc1cc2c(cc1Cl)CCCC2=O ZINC000034117853 345817848 /nfs/dbraw/zinc/81/78/48/345817848.db2.gz FJKXLAHUCJBOLA-UHFFFAOYSA-N 0 0 238.714 3.646 10 0 BHAERN COc1cccc2sc(-c3ccccc3)nc21 ZINC000034117972 345817829 /nfs/dbraw/zinc/81/78/29/345817829.db2.gz GVVJXNMAADQZLG-UHFFFAOYSA-N 0 0 241.315 3.972 10 0 BHAERN CSc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000034118167 346199746 /nfs/dbraw/zinc/19/97/46/346199746.db2.gz OUXLRWIRUPEKLZ-UHFFFAOYSA-N 0 0 246.306 3.779 10 0 BHAERN CC(C)(C)C(=O)O[C@H]1c2ccccc2CC1(C)C ZINC000034118191 345818003 /nfs/dbraw/zinc/81/80/03/345818003.db2.gz BFDAWVYKWQNQFW-ZDUSSCGKSA-N 0 0 246.350 3.899 10 0 BHAERN CC(C)(C)C(=O)O[C@@H]1c2ccccc2CC1(C)C ZINC000034118192 345817767 /nfs/dbraw/zinc/81/77/67/345817767.db2.gz BFDAWVYKWQNQFW-CYBMUJFWSA-N 0 0 246.350 3.899 10 0 BHAERN O[C@@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000034120840 346204133 /nfs/dbraw/zinc/20/41/33/346204133.db2.gz GOCHXDOXYWWSKG-ZETCQYMHSA-N 0 0 245.027 3.589 10 0 BHAERN O[C@H](c1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000034120841 346204111 /nfs/dbraw/zinc/20/41/11/346204111.db2.gz GOCHXDOXYWWSKG-SSDOTTSWSA-N 0 0 245.027 3.589 10 0 BHAERN O=Cc1ccc(-c2ccc3ccccc3c2)o1 ZINC000034128270 643584168 /nfs/dbraw/zinc/58/41/68/643584168.db2.gz PWOCSPAWPUQFAD-UHFFFAOYSA-N 0 0 222.243 3.912 10 0 BHAERN Oc1ccc(CCCc2ccccc2)cc1 ZINC000034129108 345817812 /nfs/dbraw/zinc/81/78/12/345817812.db2.gz YIZXYWSYCYOOPR-UHFFFAOYSA-N 0 0 212.292 3.568 10 0 BHAERN COc1ccc(C)c(NCc2ccccc2)c1 ZINC000034129719 346204621 /nfs/dbraw/zinc/20/46/21/346204621.db2.gz LYGXGEOSYSHTFM-UHFFFAOYSA-N 0 0 227.307 3.616 10 0 BHAERN CC(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000034131699 346204436 /nfs/dbraw/zinc/20/44/36/346204436.db2.gz YGAYEQVMJHGDJD-UHFFFAOYSA-N 0 0 203.068 3.504 10 0 BHAERN O=C(Cc1cccnc1)c1ccc2ccccc2c1 ZINC000034132030 182048956 /nfs/dbraw/zinc/04/89/56/182048956.db2.gz BHTURNCRHPDYCF-UHFFFAOYSA-N 0 0 247.297 3.660 10 0 BHAERN CCc1ccccc1C(=O)Cc1ccccc1 ZINC000034137293 346207610 /nfs/dbraw/zinc/20/76/10/346207610.db2.gz NOBLQBKAPAMUAQ-UHFFFAOYSA-N 0 0 224.303 3.674 10 0 BHAERN Cc1ccc(C(=O)c2ccccc2C)cc1 ZINC000034137295 187286616 /nfs/dbraw/zinc/28/66/16/187286616.db2.gz IKCBNUVGOJSNDB-UHFFFAOYSA-N 0 0 210.276 3.534 10 0 BHAERN O=C(Nc1ccc(F)cc1F)Oc1ccccc1 ZINC000034139605 182357018 /nfs/dbraw/zinc/35/70/18/182357018.db2.gz PWOHALINKDREHF-UHFFFAOYSA-N 0 0 249.216 3.576 10 0 BHAERN CC[C@H](C(=O)c1ccccc1)c1ccc(O)cc1 ZINC000034139869 171241812 /nfs/dbraw/zinc/24/18/12/171241812.db2.gz FXJSXWBPLHSRGP-HNNXBMFYSA-N 0 0 240.302 3.769 10 0 in-vitro BHAERN CC[C@@H](C(=O)c1ccccc1)c1ccc(O)cc1 ZINC000034139870 343265038 /nfs/dbraw/zinc/26/50/38/343265038.db2.gz FXJSXWBPLHSRGP-OAHLLOKOSA-N 0 0 240.302 3.769 10 0 in-vitro BHAERN Clc1cc(C2CCCCC2)c(Cl)nn1 ZINC000034143554 345817897 /nfs/dbraw/zinc/81/78/97/345817897.db2.gz FGTCSRXIOWTQLV-UHFFFAOYSA-N 0 0 231.126 3.831 10 0 BHAERN Cc1cc(C)c(-c2ccccc2N)c(C)c1 ZINC000034143896 177834955 /nfs/dbraw/zinc/83/49/55/177834955.db2.gz DUMUZNITRKJEPV-UHFFFAOYSA-N 0 0 211.308 3.861 10 0 BHAERN Clc1ccc(-c2cccn3ccnc23)cc1 ZINC000034144221 343265695 /nfs/dbraw/zinc/26/56/95/343265695.db2.gz INZILLYIUWWMKR-UHFFFAOYSA-N 0 0 228.682 3.655 10 0 BHAERN CCCC[C@H](O)c1ccccc1Br ZINC000034147221 343142140 /nfs/dbraw/zinc/14/21/40/343142140.db2.gz XQBWCAKYTWIXTD-NSHDSACASA-N 0 0 243.144 3.673 10 0 BHAERN CCCC[C@@H](O)c1ccccc1Br ZINC000034147222 343141956 /nfs/dbraw/zinc/14/19/56/343141956.db2.gz XQBWCAKYTWIXTD-LLVKDONJSA-N 0 0 243.144 3.673 10 0 BHAERN CCc1nc(Cl)c(Cl)cc1Cl ZINC000034154011 346210856 /nfs/dbraw/zinc/21/08/56/346210856.db2.gz BPZCVIVGSIDBRH-UHFFFAOYSA-N 0 0 210.491 3.604 10 0 BHAERN Cc1cccc(SCc2ccccc2)n1 ZINC000034155460 346211543 /nfs/dbraw/zinc/21/15/43/346211543.db2.gz OLDNDGSKTPEWOV-UHFFFAOYSA-N 0 0 215.321 3.682 10 0 BHAERN CC(C)(C)C(=O)c1ccc(Br)s1 ZINC000034156050 346211515 /nfs/dbraw/zinc/21/15/15/346211515.db2.gz KLVSTIPQRQCZFE-UHFFFAOYSA-N 0 0 247.157 3.739 10 0 BHAERN CC(C)(C)C(=O)c1cc(Br)cs1 ZINC000034156051 166536577 /nfs/dbraw/zinc/53/65/77/166536577.db2.gz XJTOJICTEDIAFX-UHFFFAOYSA-N 0 0 247.157 3.739 10 0 BHAERN OCc1cccc2c3ccccc3sc21 ZINC000034161298 398343218 /nfs/dbraw/zinc/34/32/18/398343218.db2.gz YNTFCKCYXLGAER-UHFFFAOYSA-N 0 0 214.289 3.547 10 0 BHAERN C[C@@H]1CC(=O)c2cc(Cl)c3ccccc3c2O1 ZINC000034168452 342880121 /nfs/dbraw/zinc/88/01/21/342880121.db2.gz ZSGLCUINFHRTHH-MRVPVSSYSA-N 0 0 246.693 3.847 10 0 BHAERN C[C@H]1CC(=O)c2cc(Cl)c3ccccc3c2O1 ZINC000034168453 398343304 /nfs/dbraw/zinc/34/33/04/398343304.db2.gz ZSGLCUINFHRTHH-QMMMGPOBSA-N 0 0 246.693 3.847 10 0 BHAERN Cc1cc(Cl)nc(/C=C/c2ccccc2)n1 ZINC000034182033 345818737 /nfs/dbraw/zinc/81/87/37/345818737.db2.gz HZECZNGTVVZTHC-BQYQJAHWSA-N 0 0 230.698 3.609 10 0 BHAERN CCCCc1cc2cc([C@@H](C)NO)ccc2o1 ZINC000034182146 345818684 /nfs/dbraw/zinc/81/86/84/345818684.db2.gz XMWSHXVRMOVWFP-SNVBAGLBSA-N 0 0 233.311 3.815 10 0 BHAERN CCCCc1cc2cc([C@H](C)NO)ccc2o1 ZINC000034182147 345818710 /nfs/dbraw/zinc/81/87/10/345818710.db2.gz XMWSHXVRMOVWFP-JTQLQIEISA-N 0 0 233.311 3.815 10 0 BHAERN Brc1cc(-c2ccccn2)cs1 ZINC000034182421 166096042 /nfs/dbraw/zinc/09/60/42/166096042.db2.gz KDQGDQAKEJOYOM-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN C/C=C/C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000034182741 345818812 /nfs/dbraw/zinc/81/88/12/345818812.db2.gz HYXQUQFLIPCISU-WWSNTCLGSA-N 0 0 244.334 3.832 10 0 BHAERN Cc1ccc(Sc2cccnc2)cc1 ZINC000034189728 345818889 /nfs/dbraw/zinc/81/88/89/345818889.db2.gz LLGZCVQFSCDYCY-UHFFFAOYSA-N 0 0 201.294 3.541 10 0 BHAERN COc1ccc2[nH]c3c(c2c1)c(Cl)ncc3C ZINC000034193639 175202072 /nfs/dbraw/zinc/20/20/72/175202072.db2.gz NQMPMCRAKSIOLR-UHFFFAOYSA-N 0 0 246.697 3.687 10 0 BHAERN COc1ccc(C)cc1OCc1ccccc1 ZINC000034194763 345819063 /nfs/dbraw/zinc/81/90/63/345819063.db2.gz ONKGEUQRVIPRSX-UHFFFAOYSA-N 0 0 228.291 3.583 10 0 BHAERN O=C1c2ccc(F)cc2CC[C@H]1c1ccccc1 ZINC000034195813 345819076 /nfs/dbraw/zinc/81/90/76/345819076.db2.gz RGERVIPBRHDXIF-AWEZNQCLSA-N 0 0 240.277 3.738 10 0 BHAERN O=C1c2ccc(F)cc2CC[C@@H]1c1ccccc1 ZINC000034195815 345818715 /nfs/dbraw/zinc/81/87/15/345818715.db2.gz RGERVIPBRHDXIF-CQSZACIVSA-N 0 0 240.277 3.738 10 0 BHAERN O=C1CCSc2c(Cl)cc(Cl)cc21 ZINC000034195862 346222730 /nfs/dbraw/zinc/22/27/30/346222730.db2.gz MQLSNIMCXGHLGA-UHFFFAOYSA-N 0 0 233.119 3.672 10 0 BHAERN Oc1cc(Cl)ccc1-c1ccccc1 ZINC000034196190 183258493 /nfs/dbraw/zinc/25/84/93/183258493.db2.gz LMUKIFZFZRTUIY-UHFFFAOYSA-N 0 0 204.656 3.713 10 0 BHAERN Clc1nc2ccccc2cc1C1CC1 ZINC000034203973 538953960 /nfs/dbraw/zinc/95/39/60/538953960.db2.gz VLFAMTJCJGTLMR-UHFFFAOYSA-N 0 0 203.672 3.766 10 0 BHAERN Cc1cnc(Cl)c2c3ccccc3n(C)c21 ZINC000034211297 345819729 /nfs/dbraw/zinc/81/97/29/345819729.db2.gz RGOKLNDDDDHNLG-UHFFFAOYSA-N 0 0 230.698 3.688 10 0 BHAERN Clc1ccncc1Oc1ccccc1 ZINC000034213642 343266481 /nfs/dbraw/zinc/26/64/81/343266481.db2.gz OAFJWUWAKXLAMQ-UHFFFAOYSA-N 0 0 205.644 3.527 10 0 BHAERN Brc1ccccc1Cc1ccco1 ZINC000034216007 166102398 /nfs/dbraw/zinc/10/23/98/166102398.db2.gz UFKCOMMKKGSGQC-UHFFFAOYSA-N 0 0 237.096 3.633 10 0 BHAERN FC(F)(F)c1ccc(-c2ccc[nH]2)cc1 ZINC000034216492 646465286 /nfs/dbraw/zinc/46/52/86/646465286.db2.gz LNMAAEZCMFBLTE-UHFFFAOYSA-N 0 0 211.186 3.701 10 0 BHAERN COCOc1cccc2cccc(C(C)C)c21 ZINC000034217917 345819614 /nfs/dbraw/zinc/81/96/14/345819614.db2.gz CZWSCDAXFMMDSH-UHFFFAOYSA-N 0 0 230.307 3.946 10 0 BHAERN CC(C)(C)[C@H](O)CCc1ccc(Cl)cc1 ZINC000034223193 188183159 /nfs/dbraw/zinc/18/31/59/188183159.db2.gz LYJZJXQYYDUQAT-GFCCVEGCSA-N 0 0 226.747 3.680 10 0 BHAERN Oc1ccc(CCCCc2ccccc2)cc1 ZINC000034224096 345819710 /nfs/dbraw/zinc/81/97/10/345819710.db2.gz ZMYUUXYLTXSODB-UHFFFAOYSA-N 0 0 226.319 3.958 10 0 BHAERN Oc1ccc(COc2ccc(Cl)cc2)cc1 ZINC000034227290 346229598 /nfs/dbraw/zinc/22/95/98/346229598.db2.gz LPRAPLVGBRPSAZ-UHFFFAOYSA-N 0 0 234.682 3.625 10 0 BHAERN Nc1cccc(Oc2cccc3cccnc32)c1 ZINC000034234407 343267116 /nfs/dbraw/zinc/26/71/16/343267116.db2.gz DYOMSENBKUFVIK-UHFFFAOYSA-N 0 0 236.274 3.609 10 0 BHAERN CSc1ccccc1C(=O)c1ccccc1 ZINC000034236295 355812983 /nfs/dbraw/zinc/81/29/83/355812983.db2.gz RAXZMGHNKSLALN-UHFFFAOYSA-N 0 0 228.316 3.640 10 0 BHAERN O=C1c2ccccc2CCC[C@H]1c1ccccc1 ZINC000034236440 345819529 /nfs/dbraw/zinc/81/95/29/345819529.db2.gz USCYSXMEKPABQP-INIZCTEOSA-N 0 0 236.314 3.989 10 0 BHAERN O=C1c2ccccc2CCC[C@@H]1c1ccccc1 ZINC000034236441 345819663 /nfs/dbraw/zinc/81/96/63/345819663.db2.gz USCYSXMEKPABQP-MRXNPFEDSA-N 0 0 236.314 3.989 10 0 BHAERN CSC1=Nc2ccccc2SCC1 ZINC000034246383 175456295 /nfs/dbraw/zinc/45/62/95/175456295.db2.gz BJORMSVRRSEUER-UHFFFAOYSA-N 0 0 209.339 3.575 10 0 BHAERN CC(C)(C)OC(=O)Nc1csc(Cl)c1 ZINC000034251088 345820104 /nfs/dbraw/zinc/82/01/04/345820104.db2.gz VMFYCGLRWHZNPA-UHFFFAOYSA-N 0 0 233.720 3.749 10 0 BHAERN c1csc(C2(c3cccs3)CCCO2)c1 ZINC000034252990 345820329 /nfs/dbraw/zinc/82/03/29/345820329.db2.gz BTZDPJDBZXRYQS-UHFFFAOYSA-N 0 0 236.361 3.864 10 0 BHAERN CSc1cc(-c2ccc(Cl)cc2)on1 ZINC000034260333 345820301 /nfs/dbraw/zinc/82/03/01/345820301.db2.gz QMCGCIAERRVDCA-UHFFFAOYSA-N 0 0 225.700 3.717 10 0 BHAERN Cc1nc(Sc2ccc(O)cc2)sc1C ZINC000034263676 180032587 /nfs/dbraw/zinc/03/25/87/180032587.db2.gz RFJJVBJANSYOMS-UHFFFAOYSA-N 0 0 237.349 3.617 10 0 BHAERN Oc1ccc(-c2cc3ccccc3o2)cc1 ZINC000034268748 183264816 /nfs/dbraw/zinc/26/48/16/183264816.db2.gz YTEKHDAKURIPLM-UHFFFAOYSA-N 0 0 210.232 3.805 10 0 BHAERN Cc1ccc(C)c(-c2cnc3[nH]ccc3c2)c1 ZINC000034268772 345820212 /nfs/dbraw/zinc/82/02/12/345820212.db2.gz JEZVSTMXNDXKEM-UHFFFAOYSA-N 0 0 222.291 3.847 10 0 BHAERN Fc1cc(F)cc(-c2cnc3[nH]ccc3c2)c1 ZINC000034268785 343267683 /nfs/dbraw/zinc/26/76/83/343267683.db2.gz VKGSHPRRBSGILZ-UHFFFAOYSA-N 0 0 230.217 3.508 10 0 BHAERN CCOc1ccc(-c2cnc3[nH]ccc3c2)cc1 ZINC000034268809 345820383 /nfs/dbraw/zinc/82/03/83/345820383.db2.gz ZETBXKSLELUHHD-UHFFFAOYSA-N 0 0 238.290 3.629 10 0 BHAERN Oc1ccc(C(F)(F)F)c2ccccc12 ZINC000034276121 355823381 /nfs/dbraw/zinc/82/33/81/355823381.db2.gz MMJAAHSLGSHYCF-UHFFFAOYSA-N 0 0 212.170 3.564 10 0 BHAERN Nc1ccc(Cl)c(SC(F)(F)F)c1 ZINC000034279189 346241109 /nfs/dbraw/zinc/24/11/09/346241109.db2.gz VKNCIUKCENNJLP-UHFFFAOYSA-N 0 0 227.638 3.534 10 0 BHAERN CC(=NC#N)N[C@H](c1ccc(Cl)cc1)C(C)C ZINC000034279546 345820881 /nfs/dbraw/zinc/82/08/81/345820881.db2.gz PNYRERZFLZRGKD-ZDUSSCGKSA-N 0 0 249.745 3.526 10 0 BHAERN CC(=NC#N)N[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000034279547 345821150 /nfs/dbraw/zinc/82/11/50/345821150.db2.gz PNYRERZFLZRGKD-CYBMUJFWSA-N 0 0 249.745 3.526 10 0 BHAERN O=Cc1ccc2c3c4c(cccc4ccc31)C2 ZINC000034284675 345820834 /nfs/dbraw/zinc/82/08/34/345820834.db2.gz PQSXJSLPXHSUSZ-UHFFFAOYSA-N 0 0 218.255 3.710 10 0 BHAERN O=C1CCCC[C@H]1c1cccc(Cl)c1 ZINC000034286198 346242063 /nfs/dbraw/zinc/24/20/63/346242063.db2.gz LOFSEBDMJIXGCJ-NSHDSACASA-N 0 0 208.688 3.567 10 0 BHAERN O=C1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000034286199 346242092 /nfs/dbraw/zinc/24/20/92/346242092.db2.gz LOFSEBDMJIXGCJ-LLVKDONJSA-N 0 0 208.688 3.567 10 0 BHAERN COc1ccc(-c2ccc(C(C)=O)cc2)cc1F ZINC000034286706 175033248 /nfs/dbraw/zinc/03/32/48/175033248.db2.gz OLQMZOJTNRZQMI-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN C[C@@H]1c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000034291176 343268024 /nfs/dbraw/zinc/26/80/24/343268024.db2.gz NSNOTBCAYSDZJX-CYBMUJFWSA-N 0 0 249.313 3.874 10 0 BHAERN C[C@H]1c2ccccc2C=CN1C(=O)c1ccccc1 ZINC000034291178 385274968 /nfs/dbraw/zinc/27/49/68/385274968.db2.gz NSNOTBCAYSDZJX-ZDUSSCGKSA-N 0 0 249.313 3.874 10 0 BHAERN CC1(C)CCC(C)(C)c2cc(CO)ccc21 ZINC000034293936 346243306 /nfs/dbraw/zinc/24/33/06/346243306.db2.gz PXKDLMVKFZOLKA-UHFFFAOYSA-N 0 0 218.340 3.528 10 0 BHAERN CCNc1ccc(OCc2ccccc2)cc1 ZINC000034309073 170174060 /nfs/dbraw/zinc/17/40/60/170174060.db2.gz WHYZXNVJQOJXNT-UHFFFAOYSA-N 0 0 227.307 3.697 10 0 BHAERN CCNc1cccc(OCc2ccccc2)c1 ZINC000034309074 346243970 /nfs/dbraw/zinc/24/39/70/346243970.db2.gz YANGZIZOSJVYNM-UHFFFAOYSA-N 0 0 227.307 3.697 10 0 BHAERN Cc1ccc(Cl)c2c(=O)c3ccccc3oc12 ZINC000034309562 345821019 /nfs/dbraw/zinc/82/10/19/345821019.db2.gz MDTREROSCDWIHF-UHFFFAOYSA-N 0 0 244.677 3.908 10 0 BHAERN CCCC(=O)c1ccc2cc(OC)ccc2c1 ZINC000034310866 343267971 /nfs/dbraw/zinc/26/79/71/343267971.db2.gz IVUNPOOFNUBEBJ-UHFFFAOYSA-N 0 0 228.291 3.831 10 0 BHAERN O=Cc1ccc(-c2ccc(Cl)s2)s1 ZINC000034317899 346245435 /nfs/dbraw/zinc/24/54/35/346245435.db2.gz YVDLIYGQTYRGIO-UHFFFAOYSA-N 0 0 228.725 3.943 10 0 BHAERN Cc1cccc(-c2cnc3[nH]ccc3c2)c1C ZINC000034321432 345821001 /nfs/dbraw/zinc/82/10/01/345821001.db2.gz ANILCMAVRYUNCH-UHFFFAOYSA-N 0 0 222.291 3.847 10 0 BHAERN O=C1c2ccccc2-c2ssc(=S)c21 ZINC000034342577 398343342 /nfs/dbraw/zinc/34/33/42/398343342.db2.gz DVUFMFIMMSEWLD-UHFFFAOYSA-N 0 0 236.342 3.750 10 0 BHAERN C[C@H](O)c1ccc2c(c1)C(C)(C)CCS2 ZINC000034344367 345822750 /nfs/dbraw/zinc/82/27/50/345822750.db2.gz RWOPKUADCKADTA-VIFPVBQESA-N 0 0 222.353 3.513 10 0 BHAERN C[C@@H](O)c1ccc2c(c1)C(C)(C)CCS2 ZINC000034344368 345823051 /nfs/dbraw/zinc/82/30/51/345823051.db2.gz RWOPKUADCKADTA-SECBINFHSA-N 0 0 222.353 3.513 10 0 BHAERN CCOC(=O)c1ccc2cccc(Cl)c2c1 ZINC000034345303 345823028 /nfs/dbraw/zinc/82/30/28/345823028.db2.gz KKPFRPLZEYRDCU-UHFFFAOYSA-N 0 0 234.682 3.670 10 0 BHAERN CC(C)(C)OC(=O)N1CCC(C(C)(C)C)CC1 ZINC000034345673 346249847 /nfs/dbraw/zinc/24/98/47/346249847.db2.gz WMIZVYKUXQKBIR-UHFFFAOYSA-N 0 0 241.375 3.680 10 0 BHAERN CC[C@@](O)(c1ccccc1)c1ccccc1Cl ZINC000034346910 171194624 /nfs/dbraw/zinc/19/46/24/171194624.db2.gz ZBDTUTCVMNGDAQ-OAHLLOKOSA-N 0 0 246.737 3.986 10 0 BHAERN CCCc1cc(Cl)nnc1-c1ccccc1 ZINC000034348583 345821571 /nfs/dbraw/zinc/82/15/71/345821571.db2.gz AIWPLDFHLYZOHF-UHFFFAOYSA-N 0 0 232.714 3.750 10 0 BHAERN S=C1Cc2ccccc2N1c1ccccc1 ZINC000034349332 183312131 /nfs/dbraw/zinc/31/21/31/183312131.db2.gz AOKUKWYUYRZZLQ-UHFFFAOYSA-N 0 0 225.316 3.708 10 0 BHAERN FC(F)(F)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000034353788 385279984 /nfs/dbraw/zinc/27/99/84/385279984.db2.gz PZJLRLKOOIIRNI-UHFFFAOYSA-N 0 0 249.541 3.773 10 0 BHAERN CCCCc1c(CO)ccc2c(OC)cccc21 ZINC000034354654 345822119 /nfs/dbraw/zinc/82/21/19/345822119.db2.gz HNKPOSFSFMZULP-UHFFFAOYSA-N 0 0 244.334 3.683 10 0 BHAERN CCCCc1c(CO)ccc2ccc(OC)cc21 ZINC000034354655 345822263 /nfs/dbraw/zinc/82/22/63/345822263.db2.gz RHWXTYYIMOKKLW-UHFFFAOYSA-N 0 0 244.334 3.683 10 0 BHAERN CCCCCc1c(C=O)oc2cc(OC)ccc21 ZINC000034354664 345822299 /nfs/dbraw/zinc/82/22/99/345822299.db2.gz WDWRJPXSEJDUCP-UHFFFAOYSA-N 0 0 246.306 3.987 10 0 BHAERN c1ccc2c(c1)cccc2Cc1ccncc1 ZINC000034354766 345822081 /nfs/dbraw/zinc/82/20/81/345822081.db2.gz VYDXOQJEDYFZDD-UHFFFAOYSA-N 0 0 219.287 3.826 10 0 BHAERN Cc1nc(-c2ccccc2)[nH]c1Cc1ccccc1 ZINC000034355157 385278843 /nfs/dbraw/zinc/27/88/43/385278843.db2.gz NKVXEXBFJUACKT-UHFFFAOYSA-N 0 0 248.329 3.976 10 0 BHAERN CC(C)(C)c1ccc(-c2nc(N)cs2)cc1 ZINC000034363037 188012872 /nfs/dbraw/zinc/01/28/72/188012872.db2.gz GDRSPIQSXFHEEM-UHFFFAOYSA-N 0 0 232.352 3.690 10 0 BHAERN CC(C)(O)CC(C)(C)Sc1ccccc1 ZINC000034363785 345823808 /nfs/dbraw/zinc/82/38/08/345823808.db2.gz GBYAQWKKCSSGIQ-UHFFFAOYSA-N 0 0 224.369 3.718 10 0 BHAERN CCCC(=O)c1ccc(N(CC)CC)cc1 ZINC000034364899 346252545 /nfs/dbraw/zinc/25/25/45/346252545.db2.gz XYVWLZCLIOJYIN-UHFFFAOYSA-N 0 0 219.328 3.516 10 0 BHAERN CC(=O)c1ccc(C(F)(F)F)c(Cl)c1 ZINC000034364936 343268429 /nfs/dbraw/zinc/26/84/29/343268429.db2.gz ZBNBOFIGJIVXEF-UHFFFAOYSA-N 0 0 222.593 3.561 10 0 BHAERN CC(=O)c1c(Cl)cccc1C(F)(F)F ZINC000034364938 346252748 /nfs/dbraw/zinc/25/27/48/346252748.db2.gz ZSAMOBICHFJRMV-UHFFFAOYSA-N 0 0 222.593 3.561 10 0 BHAERN O=Cc1ccc(C(F)(F)F)c(Cl)c1Cl ZINC000034365059 538954202 /nfs/dbraw/zinc/95/42/02/538954202.db2.gz ZHKISGVSWWUHST-UHFFFAOYSA-N 0 0 243.011 3.825 10 0 BHAERN O=Cc1cc(C(F)(F)F)c(Cl)cc1Cl ZINC000034365060 346252859 /nfs/dbraw/zinc/25/28/59/346252859.db2.gz IAJIODBPOFJLFE-UHFFFAOYSA-N 0 0 243.011 3.825 10 0 BHAERN Oc1ccc(C2CCCCCCC2)c(O)c1 ZINC000034371177 346253761 /nfs/dbraw/zinc/25/37/61/346253761.db2.gz ORRJPSVKFKJXTB-UHFFFAOYSA-N 0 0 220.312 3.926 10 0 BHAERN Oc1ccc(-c2cc3cc(F)ccc3o2)cc1 ZINC000034371233 343268838 /nfs/dbraw/zinc/26/88/38/343268838.db2.gz MDFUPTAFEVBZBE-UHFFFAOYSA-N 0 0 228.222 3.945 10 0 BHAERN CC(C)(C)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000034371249 343268771 /nfs/dbraw/zinc/26/87/71/343268771.db2.gz CEARQOWSYUBEOP-SNVBAGLBSA-N 0 0 232.245 3.785 10 0 BHAERN O=C1CC[C@@H](c2ccccc2)c2ccccc2N1 ZINC000034402422 346263717 /nfs/dbraw/zinc/26/37/17/346263717.db2.gz QSRORRYDHGLQQZ-ZDUSSCGKSA-N 0 0 237.302 3.551 10 0 BHAERN O=C1CC[C@H](c2ccccc2)c2ccccc2N1 ZINC000034402423 346263461 /nfs/dbraw/zinc/26/34/61/346263461.db2.gz QSRORRYDHGLQQZ-CYBMUJFWSA-N 0 0 237.302 3.551 10 0 BHAERN O=Cc1ccc2c(c1)CC[C@@H](c1ccccc1)O2 ZINC000034405812 188271300 /nfs/dbraw/zinc/27/13/00/188271300.db2.gz RKFGUGRDPIIDIM-HNNXBMFYSA-N 0 0 238.286 3.565 10 0 BHAERN O=Cc1ccc2c(c1)CC[C@H](c1ccccc1)O2 ZINC000034405813 387420792 /nfs/dbraw/zinc/42/07/92/387420792.db2.gz RKFGUGRDPIIDIM-OAHLLOKOSA-N 0 0 238.286 3.565 10 0 BHAERN FC(F)(F)C(F)(F)c1nccc2ccccc21 ZINC000034407530 345826998 /nfs/dbraw/zinc/82/69/98/345826998.db2.gz SWVUHNVVYMKUCN-UHFFFAOYSA-N 0 0 247.166 3.889 10 0 BHAERN C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)C1=O ZINC000034408904 176217751 /nfs/dbraw/zinc/21/77/51/176217751.db2.gz XDJFVDDPKTXEBV-GYSYKLTISA-N 0 0 208.345 3.818 10 0 BHAERN C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)C1=O ZINC000034408905 177195614 /nfs/dbraw/zinc/19/56/14/177195614.db2.gz XDJFVDDPKTXEBV-WDMOLILDSA-N 0 0 208.345 3.818 10 0 BHAERN Cc1cccc(CC(C)(C)CC[C@@H](C)O)c1 ZINC000034409129 179053392 /nfs/dbraw/zinc/05/33/92/179053392.db2.gz RWDMFISBWVZPLG-CYBMUJFWSA-N 0 0 220.356 3.725 10 0 BHAERN Cc1cccc(CC(C)(C)CC[C@H](C)O)c1 ZINC000034409130 179053076 /nfs/dbraw/zinc/05/30/76/179053076.db2.gz RWDMFISBWVZPLG-ZDUSSCGKSA-N 0 0 220.356 3.725 10 0 BHAERN Cc1c(C)c(N(C)C)ccc1-c1ccc(N)cc1 ZINC000034409494 177551575 /nfs/dbraw/zinc/55/15/75/177551575.db2.gz DZDLNRMSMZQTDC-UHFFFAOYSA-N 0 0 240.350 3.619 10 0 BHAERN COc1ccc(/C=C/c2cccc(OC)c2)cc1 ZINC000034412387 175047984 /nfs/dbraw/zinc/04/79/84/175047984.db2.gz PMVLDTCOUSZSHN-VOTSOKGWSA-N 0 0 240.302 3.874 10 0 BHAERN CC1(C)CCc2cc(C(F)(F)F)ccc2C1=O ZINC000034412548 345826877 /nfs/dbraw/zinc/82/68/77/345826877.db2.gz XFQNVAAQRSZCKY-UHFFFAOYSA-N 0 0 242.240 3.861 10 0 BHAERN CC1(C)C=Cc2cc(C(F)(F)F)ccc2C1=O ZINC000034412559 345827639 /nfs/dbraw/zinc/82/76/39/345827639.db2.gz BSVHPGUGIYFEBQ-UHFFFAOYSA-N 0 0 240.224 3.941 10 0 BHAERN Cc1cccc(C(=O)Cc2ccccc2)c1C ZINC000034412690 346267958 /nfs/dbraw/zinc/26/79/58/346267958.db2.gz DNTMDIYBYLUYBA-UHFFFAOYSA-N 0 0 224.303 3.729 10 0 BHAERN ClCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000034413011 350265471 /nfs/dbraw/zinc/26/54/71/350265471.db2.gz GEQMWBTULSVHJM-UHFFFAOYSA-N 0 0 245.753 3.604 10 0 BHAERN O=C(c1ccc[nH]1)c1ccc(Cl)cc1Cl ZINC000034413981 346267198 /nfs/dbraw/zinc/26/71/98/346267198.db2.gz JCHJQHQZTYQETE-UHFFFAOYSA-N 0 0 240.089 3.553 10 0 BHAERN O=C1CCCc2c(Cl)c(Cl)ccc21 ZINC000034414093 346266825 /nfs/dbraw/zinc/26/68/25/346266825.db2.gz IDQUARMTXIETQJ-UHFFFAOYSA-N 0 0 215.079 3.512 10 0 BHAERN Cc1ccc(-c2ccccc2)c(Cl)n1 ZINC000034414624 178326933 /nfs/dbraw/zinc/32/69/33/178326933.db2.gz DGSPLSBEOOKTDQ-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Oc1ccc(Oc2ccccc2)cc1Cl ZINC000034416123 183277227 /nfs/dbraw/zinc/27/72/27/183277227.db2.gz OEHWUFIZHYKWIG-UHFFFAOYSA-N 0 0 220.655 3.838 10 0 BHAERN CC1(C)CC(C)(C)c2cc(N)ccc2S1 ZINC000034416157 167886035 /nfs/dbraw/zinc/88/60/35/167886035.db2.gz PFDZUEWOUUBIFZ-UHFFFAOYSA-N 0 0 221.369 3.821 10 0 BHAERN O=Cc1ccc(CCCc2ccccc2)cc1 ZINC000034416320 345828464 /nfs/dbraw/zinc/82/84/64/345828464.db2.gz MTLGKRMJIFBCKI-UHFFFAOYSA-N 0 0 224.303 3.674 10 0 BHAERN COC(=O)c1ccc(C2CCCCC2)cc1C ZINC000034416751 345828422 /nfs/dbraw/zinc/82/84/22/345828422.db2.gz PUPGWYHCDLWACK-UHFFFAOYSA-N 0 0 232.323 3.829 10 0 BHAERN CC[C@H](C(=O)OC)c1ccc(C(C)(C)C)cc1 ZINC000034416894 171241351 /nfs/dbraw/zinc/24/13/51/171241351.db2.gz ODOUMRJDNPQDFW-ZDUSSCGKSA-N 0 0 234.339 3.651 10 0 BHAERN CC[C@@H](C(=O)OC)c1ccc(C(C)(C)C)cc1 ZINC000034416896 343270237 /nfs/dbraw/zinc/27/02/37/343270237.db2.gz ODOUMRJDNPQDFW-CYBMUJFWSA-N 0 0 234.339 3.651 10 0 BHAERN Cc1ccc([C@@H]2CC(=O)Cc3ccccc32)cc1 ZINC000034417115 345828784 /nfs/dbraw/zinc/82/87/84/345828784.db2.gz IRWMYCAPOXQFER-KRWDZBQOSA-N 0 0 236.314 3.642 10 0 BHAERN Cc1ccc([C@H]2CC(=O)Cc3ccccc32)cc1 ZINC000034417116 345828646 /nfs/dbraw/zinc/82/86/46/345828646.db2.gz IRWMYCAPOXQFER-QGZVFWFLSA-N 0 0 236.314 3.642 10 0 BHAERN COc1cccc2c1ccn2Cc1ccccc1 ZINC000034417183 175306530 /nfs/dbraw/zinc/30/65/30/175306530.db2.gz TXPCANGRYBPTSJ-UHFFFAOYSA-N 0 0 237.302 3.698 10 0 BHAERN CCOC(=O)c1cccc(-c2ccc(C)cc2)c1 ZINC000034417364 170298507 /nfs/dbraw/zinc/29/85/07/170298507.db2.gz TZTGMLCLIDUPQB-UHFFFAOYSA-N 0 0 240.302 3.839 10 0 BHAERN CCCC[C@H](O)c1ccc(Br)cc1 ZINC000034417517 169012557 /nfs/dbraw/zinc/01/25/57/169012557.db2.gz YEQYKXAXIPLBSH-NSHDSACASA-N 0 0 243.144 3.673 10 0 BHAERN CCCC[C@@H](O)c1ccc(Br)cc1 ZINC000034417518 346270488 /nfs/dbraw/zinc/27/04/88/346270488.db2.gz YEQYKXAXIPLBSH-LLVKDONJSA-N 0 0 243.144 3.673 10 0 BHAERN CCC[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000034424155 169521392 /nfs/dbraw/zinc/52/13/92/169521392.db2.gz YKFMBGNXGMWLMS-JTQLQIEISA-N 0 0 218.218 3.539 10 0 BHAERN CCC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000034424157 385281070 /nfs/dbraw/zinc/28/10/70/385281070.db2.gz YKFMBGNXGMWLMS-SNVBAGLBSA-N 0 0 218.218 3.539 10 0 BHAERN O=C1CCc2cc(-c3ccc(F)cc3)ccc21 ZINC000034428500 345832841 /nfs/dbraw/zinc/83/28/41/345832841.db2.gz WMOPMYZDBMASCT-UHFFFAOYSA-N 0 0 226.250 3.622 10 0 BHAERN COc1ccc(Nc2ccc(C(C)=O)cc2)cc1 ZINC000034428908 175156182 /nfs/dbraw/zinc/15/61/82/175156182.db2.gz QGTZURPSTFVSCD-UHFFFAOYSA-N 0 0 241.290 3.641 10 0 BHAERN c1ccc(-c2nnc3c4ccccc4ccn23)cc1 ZINC000034429015 345832995 /nfs/dbraw/zinc/83/29/95/345832995.db2.gz SKPQAQDIARRMKN-UHFFFAOYSA-N 0 0 245.285 3.550 10 0 BHAERN O=C(c1ccccc1)c1cc2ccccc2cc1[O-] ZINC000034429079 345832987 /nfs/dbraw/zinc/83/29/87/345832987.db2.gz KYNLAGBZSQIBCN-UHFFFAOYSA-N 0 0 248.281 3.776 10 0 BHAERN Cc1ccsc1-c1nc2ccccc2[nH]1 ZINC000034431428 179533826 /nfs/dbraw/zinc/53/38/26/179533826.db2.gz UJBCWSZIUZNSCZ-UHFFFAOYSA-N 0 0 214.293 3.600 10 0 BHAERN CCc1cc2cc(OC)c(C(C)C)cc2[nH]1 ZINC000034431560 345833070 /nfs/dbraw/zinc/83/30/70/345833070.db2.gz NGKVRXQQVGJAQM-UHFFFAOYSA-N 0 0 217.312 3.862 10 0 BHAERN O=C1CCCc2cc(-c3ccccc3)ccc21 ZINC000034431820 343270798 /nfs/dbraw/zinc/27/07/98/343270798.db2.gz YTMCAZRLLQPOBL-UHFFFAOYSA-N 0 0 222.287 3.873 10 0 BHAERN CC(=O)SCCCCCc1ccccc1 ZINC000034431831 345832859 /nfs/dbraw/zinc/83/28/59/345832859.db2.gz ZJVWZRBTKOVTIQ-UHFFFAOYSA-N 0 0 222.353 3.679 10 0 BHAERN O=C1CCc2cccc(Oc3ccccc3)c21 ZINC000034431914 345832864 /nfs/dbraw/zinc/83/28/64/345832864.db2.gz WGSYVNNUJKMXBC-UHFFFAOYSA-N 0 0 224.259 3.608 10 0 BHAERN Clc1cc2c(cc1-c1ccccc1)CCN2 ZINC000034432217 345833519 /nfs/dbraw/zinc/83/35/19/345833519.db2.gz IGODZNSNNXYCHP-UHFFFAOYSA-N 0 0 229.710 3.975 10 0 BHAERN Cc1cc2c(cccc2O)n1Cc1ccccc1 ZINC000034433266 178282666 /nfs/dbraw/zinc/28/26/66/178282666.db2.gz XDYZMGCJQLDBQN-UHFFFAOYSA-N 0 0 237.302 3.704 10 0 BHAERN COc1ccc(/C=C/c2ccccc2)c(OC)c1 ZINC000034433831 175047875 /nfs/dbraw/zinc/04/78/75/175047875.db2.gz FQUPCEHJCVWBRZ-CMDGGOBGSA-N 0 0 240.302 3.874 10 0 BHAERN O=C(c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000034436331 343142397 /nfs/dbraw/zinc/14/23/97/343142397.db2.gz LSTDEULOXAIVBF-UHFFFAOYSA-N 0 0 234.657 3.710 10 0 BHAERN Cc1cccc(Nc2ccccc2C=O)c1C ZINC000034437610 346282625 /nfs/dbraw/zinc/28/26/25/346282625.db2.gz PYSQMZPCKXSIPB-UHFFFAOYSA-N 0 0 225.291 3.860 10 0 BHAERN Cc1cccc2c1-c1c(cccc1C)C2=O ZINC000034441063 179212859 /nfs/dbraw/zinc/21/28/59/179212859.db2.gz PDALENQKGIWENW-UHFFFAOYSA-N 0 0 208.260 3.515 10 0 BHAERN Cc1cc(-c2ccccc2)c2c(n1)SCC2 ZINC000034444804 343271026 /nfs/dbraw/zinc/27/10/26/343271026.db2.gz VLXTVGBNGPQCJT-UHFFFAOYSA-N 0 0 227.332 3.705 10 0 BHAERN Nc1nc2cc(-c3ccccc3)ccc2s1 ZINC000034446557 181791114 /nfs/dbraw/zinc/79/11/14/181791114.db2.gz XPAKYVNUINGBTH-UHFFFAOYSA-N 0 0 226.304 3.546 10 0 BHAERN O=Cc1cc2c3c(ccc4c3c1CCC4)CCC2 ZINC000034446608 345833577 /nfs/dbraw/zinc/83/35/77/345833577.db2.gz GTUTUKGDHCZIGR-UHFFFAOYSA-N 0 0 236.314 3.630 10 0 BHAERN Cc1csc(C(=O)c2ccccc2C)c1 ZINC000034452730 346289043 /nfs/dbraw/zinc/28/90/43/346289043.db2.gz LIQOFYGFUKOHIA-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN Cc1ccsc1C(=O)c1ccccc1C ZINC000034452732 343271017 /nfs/dbraw/zinc/27/10/17/343271017.db2.gz MHZJWHBLWIWKAW-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN CC(C)(C)c1ccc(N2CCCCC2)cc1 ZINC000034452838 535116525 /nfs/dbraw/zinc/11/65/25/535116525.db2.gz KFMNJSQRCCPUTK-UHFFFAOYSA-N 0 0 217.356 3.974 10 0 BHAERN OC1(CCCc2ccccc2)CCCCC1 ZINC000034452939 343271059 /nfs/dbraw/zinc/27/10/59/343271059.db2.gz HAJLJSUAGLHZHV-UHFFFAOYSA-N 0 0 218.340 3.705 10 0 BHAERN Cc1ccc(N)c(-c2cc3ccccc3[nH]2)c1 ZINC000034453351 345834018 /nfs/dbraw/zinc/83/40/18/345834018.db2.gz ASAWIIZARGZELE-UHFFFAOYSA-N 0 0 222.291 3.726 10 0 BHAERN CCCC[C@@H]1CCc2ccccc2C1=O ZINC000034455411 346287714 /nfs/dbraw/zinc/28/77/14/346287714.db2.gz VWNGZXHJXQGXMQ-GFCCVEGCSA-N 0 0 202.297 3.622 10 0 BHAERN CCCC[C@H]1CCc2ccccc2C1=O ZINC000034455412 346288300 /nfs/dbraw/zinc/28/83/00/346288300.db2.gz VWNGZXHJXQGXMQ-LBPRGKRZSA-N 0 0 202.297 3.622 10 0 BHAERN Clc1cccc(OCc2ccco2)c1 ZINC000034455515 346288206 /nfs/dbraw/zinc/28/82/06/346288206.db2.gz CECGGLUOEGSUNN-UHFFFAOYSA-N 0 0 208.644 3.512 10 0 BHAERN c1ccc(-c2cnc3c(c2)CCCC3)cc1 ZINC000034455525 183381129 /nfs/dbraw/zinc/38/11/29/183381129.db2.gz IQXAQFJIDGKQHU-UHFFFAOYSA-N 0 0 209.292 3.627 10 0 BHAERN COc1cc2c(cc1F)C(c1ccccc1)=CC2 ZINC000034456191 345834178 /nfs/dbraw/zinc/83/41/78/345834178.db2.gz CZLAZRZDSGNACL-UHFFFAOYSA-N 0 0 240.277 3.822 10 0 BHAERN COc1ccccc1Oc1cc(F)ccc1OC ZINC000034456384 345834144 /nfs/dbraw/zinc/83/41/44/345834144.db2.gz NIHYOFSHVIREFW-UHFFFAOYSA-N 0 0 248.253 3.635 10 0 BHAERN Cc1cc2c(c(C)c1O)C(C)(C)CC(C)(C)O2 ZINC000034457784 345833996 /nfs/dbraw/zinc/83/39/96/345833996.db2.gz MTUVLOPQYKXBLC-UHFFFAOYSA-N 0 0 234.339 3.848 10 0 BHAERN c1ccc(COc2cccc3c2NCCC3)cc1 ZINC000034458119 343271674 /nfs/dbraw/zinc/27/16/74/343271674.db2.gz KGWAJHUSMOCZJH-UHFFFAOYSA-N 0 0 239.318 3.624 10 0 BHAERN c1ccc(-c2ccc(C3OCCCO3)cc2)cc1 ZINC000034458160 350171505 /nfs/dbraw/zinc/17/15/05/350171505.db2.gz LZCICJCYLSXUHZ-UHFFFAOYSA-N 0 0 240.302 3.789 10 0 BHAERN O=C1Nc2ccc(F)cc2Sc2ccccc21 ZINC000034458478 345834672 /nfs/dbraw/zinc/83/46/72/345834672.db2.gz DTEGULKVKHMNIG-UHFFFAOYSA-N 0 0 245.278 3.543 10 0 BHAERN Cc1ccc2cccc(C=O)c2c1Br ZINC000034458722 343271794 /nfs/dbraw/zinc/27/17/94/343271794.db2.gz YDKVRPOKKCKHCU-UHFFFAOYSA-N 0 0 249.107 3.723 10 0 BHAERN Cc1cc(C)c(O)c(C(=O)C2CCCCC2)c1 ZINC000034465052 345834488 /nfs/dbraw/zinc/83/44/88/345834488.db2.gz OHSPMALYRYRYFE-UHFFFAOYSA-N 0 0 232.323 3.772 10 0 BHAERN Cc1nc2ccccc2c(-c2ccccc2)c1O ZINC000034465070 345834660 /nfs/dbraw/zinc/83/46/60/345834660.db2.gz QWEYHYJPWYWNAH-UHFFFAOYSA-N 0 0 235.286 3.916 10 0 BHAERN Fc1ccccc1-c1nc2ccc(Cl)nc2o1 ZINC000034474680 181009480 /nfs/dbraw/zinc/00/94/80/181009480.db2.gz IOKSCCZABWKVOW-UHFFFAOYSA-N 0 0 248.644 3.682 10 0 BHAERN Clc1nc(-c2ccoc2)cc(-c2ccoc2)n1 ZINC000034477231 345835159 /nfs/dbraw/zinc/83/51/59/345835159.db2.gz GXHDUFGZDGHBBQ-UHFFFAOYSA-N 0 0 246.653 3.650 10 0 BHAERN C=Cc1c(Cl)ccc(OCC)c1F ZINC000034480899 343271927 /nfs/dbraw/zinc/27/19/27/343271927.db2.gz HJAUVTBGDGRDQU-UHFFFAOYSA-N 0 0 200.640 3.521 10 0 BHAERN CC(C)(C)c1cccc2c1NCC2(C)C ZINC000034481074 343142634 /nfs/dbraw/zinc/14/26/34/343142634.db2.gz LXVNOOGOLMSCGE-UHFFFAOYSA-N 0 0 203.329 3.687 10 0 BHAERN CC[C@H]1C=Cc2ccccc2[C@@H]1/C=C/OC ZINC000034481960 345835274 /nfs/dbraw/zinc/83/52/74/345835274.db2.gz WYBZYYGMOROFJI-QBEHZEROSA-N 0 0 214.308 3.983 10 0 BHAERN Cc1cc2c(OCc3ccccc3)cccn2c1 ZINC000034483442 345835172 /nfs/dbraw/zinc/83/51/72/345835172.db2.gz VOOFFMLAKHMRPS-UHFFFAOYSA-N 0 0 237.302 3.827 10 0 BHAERN Brc1cnsc1-c1ccccc1 ZINC000034483599 166106701 /nfs/dbraw/zinc/10/67/01/166106701.db2.gz NEVAMZXLBJXXHB-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN COc1c(Br)cccc1C(C)C ZINC000034485353 350265020 /nfs/dbraw/zinc/26/50/20/350265020.db2.gz RMYVECCGQUCNMZ-UHFFFAOYSA-N 0 0 229.117 3.581 10 0 BHAERN O=Cc1cc(-c2ccccc2)nc2ccccc12 ZINC000034485434 346296107 /nfs/dbraw/zinc/29/61/07/346296107.db2.gz WVUJVQGSMRAXJG-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN CCCCCCC(=O)c1ccc(N(C)C)cc1 ZINC000034485440 346296301 /nfs/dbraw/zinc/29/63/01/346296301.db2.gz RHEWEMDKLKIVLY-UHFFFAOYSA-N 0 0 233.355 3.906 10 0 BHAERN Clc1ccc(Nc2cnc3ccccn23)cc1 ZINC000034485700 343272308 /nfs/dbraw/zinc/27/23/08/343272308.db2.gz VKDCGXYIJYSLKG-UHFFFAOYSA-N 0 0 243.697 3.731 10 0 BHAERN C=C(OCCCC)c1cccc2c1CCCC2=O ZINC000034485722 345835702 /nfs/dbraw/zinc/83/57/02/345835702.db2.gz IQOAHQVEGXCOSK-UHFFFAOYSA-N 0 0 244.334 3.993 10 0 BHAERN COc1ccc(F)cc1C(=O)C1CCCCC1 ZINC000034489487 346298419 /nfs/dbraw/zinc/29/84/19/346298419.db2.gz IXBLIVSOPRSSGL-UHFFFAOYSA-N 0 0 236.286 3.597 10 0 BHAERN Nc1ccc(-c2nc3ccccc3s2)c(F)c1 ZINC000034507507 181696538 /nfs/dbraw/zinc/69/65/38/181696538.db2.gz BDEYHVZNXILQCB-UHFFFAOYSA-N 0 0 244.294 3.685 10 0 BHAERN O=C1Nc2cc(F)ccc2Sc2ccccc21 ZINC000034507581 345830123 /nfs/dbraw/zinc/83/01/23/345830123.db2.gz PJKFEBGXYUWAFJ-UHFFFAOYSA-N 0 0 245.278 3.543 10 0 BHAERN O[C@@H](c1c[nH]cc1-c1ccccc1)c1ccccc1 ZINC000034507837 345830128 /nfs/dbraw/zinc/83/01/28/345830128.db2.gz FSFVMMBDEKTTIB-QGZVFWFLSA-N 0 0 249.313 3.763 10 0 BHAERN O[C@H](c1c[nH]cc1-c1ccccc1)c1ccccc1 ZINC000034507838 345830157 /nfs/dbraw/zinc/83/01/57/345830157.db2.gz FSFVMMBDEKTTIB-KRWDZBQOSA-N 0 0 249.313 3.763 10 0 BHAERN CC(C)(C)c1cc(Cl)nc(C(C)(C)C)n1 ZINC000034510970 187257035 /nfs/dbraw/zinc/25/70/35/187257035.db2.gz ICZQYZYOGQBJNA-UHFFFAOYSA-N 0 0 226.751 3.725 10 0 BHAERN Oc1ccccc1/C=C/c1cc(F)cc(F)c1 ZINC000034511080 345830211 /nfs/dbraw/zinc/83/02/11/345830211.db2.gz VUTUAKGFJWUAFF-AATRIKPKSA-N 0 0 232.229 3.841 10 0 BHAERN O=C(CCc1ccccc1)c1ccc(Cl)nc1 ZINC000034511402 343273885 /nfs/dbraw/zinc/27/38/85/343273885.db2.gz JUZWBORUFNAKRY-UHFFFAOYSA-N 0 0 245.709 3.551 10 0 BHAERN CCOC(=O)/C=C/c1cccc(Cl)c1Cl ZINC000034512035 346868687 /nfs/dbraw/zinc/86/86/87/346868687.db2.gz SVYCGHOTVMOUMC-VOTSOKGWSA-N 0 0 245.105 3.570 10 0 BHAERN CCCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000034519203 343273894 /nfs/dbraw/zinc/27/38/94/343273894.db2.gz BULGSEUYSPGOCC-UHFFFAOYSA-N 0 0 216.202 3.688 10 0 BHAERN Fc1c(=S)ssc1C(F)(F)F ZINC000034519283 345830061 /nfs/dbraw/zinc/83/00/61/345830061.db2.gz LGMIWXNOGROMCP-UHFFFAOYSA-N 0 0 220.237 3.697 10 0 BHAERN O=Cc1ccc(-c2cc3ccccc3o2)cc1 ZINC000034519334 346874137 /nfs/dbraw/zinc/87/41/37/346874137.db2.gz RRERCNLWKDJQGK-UHFFFAOYSA-N 0 0 222.243 3.912 10 0 BHAERN OCc1cc2cc(-c3ccccc3)ccc2o1 ZINC000034519383 343274183 /nfs/dbraw/zinc/27/41/83/343274183.db2.gz WHABIYPATCNUJJ-UHFFFAOYSA-N 0 0 224.259 3.592 10 0 BHAERN COc1ncccc1-c1cc2cc(C)ccc2[nH]1 ZINC000034519708 175404211 /nfs/dbraw/zinc/40/42/11/175404211.db2.gz CAXSWBHYGXOECE-UHFFFAOYSA-N 0 0 238.290 3.547 10 0 BHAERN Cc1cc2c(c(C)c1O)C(C)(C)C=C(C)O2 ZINC000034520998 343274279 /nfs/dbraw/zinc/27/42/79/343274279.db2.gz CDJNESSWTPRJPW-UHFFFAOYSA-N 0 0 218.296 3.583 10 0 BHAERN CCOC(=O)c1ccc(-c2ccsc2)cc1 ZINC000034521697 170294746 /nfs/dbraw/zinc/29/47/46/170294746.db2.gz FYYXOKARDMXXBE-UHFFFAOYSA-N 0 0 232.304 3.592 10 0 BHAERN CC[C@@H](C)[C@H](O)c1ccc(Br)cc1 ZINC000034522333 346892533 /nfs/dbraw/zinc/89/25/33/346892533.db2.gz NTYUFGOSCSUUCM-KCJUWKMLSA-N 0 0 243.144 3.529 10 0 BHAERN CC[C@H](C)[C@H](O)c1ccc(Br)cc1 ZINC000034522334 346892566 /nfs/dbraw/zinc/89/25/66/346892566.db2.gz NTYUFGOSCSUUCM-KWQFWETISA-N 0 0 243.144 3.529 10 0 BHAERN CC[C@@H](C)[C@@H](O)c1ccc(Br)cc1 ZINC000034522335 346892759 /nfs/dbraw/zinc/89/27/59/346892759.db2.gz NTYUFGOSCSUUCM-LDYMZIIASA-N 0 0 243.144 3.529 10 0 BHAERN CC[C@H](C)[C@@H](O)c1ccc(Br)cc1 ZINC000034522336 346892480 /nfs/dbraw/zinc/89/24/80/346892480.db2.gz NTYUFGOSCSUUCM-GZMMTYOYSA-N 0 0 243.144 3.529 10 0 BHAERN CCCC[C@H](O)c1cccc(Br)c1 ZINC000034522338 346892694 /nfs/dbraw/zinc/89/26/94/346892694.db2.gz JCSDFDZOGGHROH-NSHDSACASA-N 0 0 243.144 3.673 10 0 BHAERN CCCC[C@@H](O)c1cccc(Br)c1 ZINC000034522339 346892500 /nfs/dbraw/zinc/89/25/00/346892500.db2.gz JCSDFDZOGGHROH-LLVKDONJSA-N 0 0 243.144 3.673 10 0 BHAERN Cc1ccc(O)c(C(F)(F)F)c1C(F)(F)F ZINC000034522414 350172026 /nfs/dbraw/zinc/17/20/26/350172026.db2.gz UQXLHJHFLYWCHD-UHFFFAOYSA-N 0 0 244.134 3.738 10 0 BHAERN O=C(Cc1ccccc1Cl)c1ccc(F)cc1 ZINC000034525416 182045517 /nfs/dbraw/zinc/04/55/17/182045517.db2.gz FQYWUMKXPTXGKZ-UHFFFAOYSA-N 0 0 248.684 3.905 10 0 BHAERN CCCC/C=C/c1ccc(OC)c(OC)c1 ZINC000034527984 345830596 /nfs/dbraw/zinc/83/05/96/345830596.db2.gz ALOPSPTYVXRSCA-BQYQJAHWSA-N 0 0 220.312 3.907 10 0 BHAERN CCOC(=O)C=C1CC(C)(C)CC(C)(C)C1 ZINC000034528290 345830857 /nfs/dbraw/zinc/83/08/57/345830857.db2.gz CCRRWMXDTVMKJD-UHFFFAOYSA-N 0 0 224.344 3.712 10 0 BHAERN Cc1cc(C)cc([C@@H](C)C(=O)C(C)C)c1 ZINC000034535047 343274319 /nfs/dbraw/zinc/27/43/19/343274319.db2.gz XSZGUOPSEUUXMK-GFCCVEGCSA-N 0 0 204.313 3.632 10 0 BHAERN Cc1cc(C)cc([C@H](C)C(=O)C(C)C)c1 ZINC000034535049 346901917 /nfs/dbraw/zinc/90/19/17/346901917.db2.gz XSZGUOPSEUUXMK-LBPRGKRZSA-N 0 0 204.313 3.632 10 0 BHAERN CC1(C)CCC(c2ccccc2N)CC1 ZINC000034537264 323939040 /nfs/dbraw/zinc/93/90/40/323939040.db2.gz YUDFUHNXTBSKLS-UHFFFAOYSA-N 0 0 203.329 3.953 10 0 BHAERN CCC1CCC(c2ccccc2N)CC1 ZINC000034537270 348627209 /nfs/dbraw/zinc/62/72/09/348627209.db2.gz KMRHYPXVHPISCU-UHFFFAOYSA-N 0 0 203.329 3.953 10 0 BHAERN Cc1csc(/C=C/c2ccccc2)n1 ZINC000034539415 345830981 /nfs/dbraw/zinc/83/09/81/345830981.db2.gz LGGRGPPMSNVTCL-BQYQJAHWSA-N 0 0 201.294 3.622 10 0 BHAERN CCCCCc1ccc(C(=O)OCC)cc1 ZINC000034542309 345831013 /nfs/dbraw/zinc/83/10/13/345831013.db2.gz HKUVOBNNLAKCLS-UHFFFAOYSA-N 0 0 220.312 3.596 10 0 BHAERN c1c2ccccc2[nH]c1[C@@H]1Cc2ccccc2N1 ZINC000034542851 368323734 /nfs/dbraw/zinc/32/37/34/368323734.db2.gz JHOONDMVUXMXNH-INIZCTEOSA-N 0 0 234.302 3.877 10 0 BHAERN c1c2ccccc2[nH]c1[C@H]1Cc2ccccc2N1 ZINC000034542852 368324066 /nfs/dbraw/zinc/32/40/66/368324066.db2.gz JHOONDMVUXMXNH-MRXNPFEDSA-N 0 0 234.302 3.877 10 0 BHAERN COc1ccc2c(c1)c1c(n2C)CCCCCC1 ZINC000034543093 345831502 /nfs/dbraw/zinc/83/15/02/345831502.db2.gz SIKCGXUYQDQIFV-UHFFFAOYSA-N 0 0 243.350 3.846 10 0 BHAERN COc1ccc(CC2CCCCC2)cc1 ZINC000034543665 345831527 /nfs/dbraw/zinc/83/15/27/345831527.db2.gz YTVJLUXTKBERHY-UHFFFAOYSA-N 0 0 204.313 3.818 10 0 BHAERN CC(C)(C)C(=O)c1ccccc1Br ZINC000034552499 346919198 /nfs/dbraw/zinc/91/91/98/346919198.db2.gz FTOXWTUFWQVNAR-UHFFFAOYSA-N 0 0 241.128 3.678 10 0 BHAERN Cc1ccc2c(c1)OCC(c1ccccc1)=N2 ZINC000034557331 178949042 /nfs/dbraw/zinc/94/90/42/178949042.db2.gz OFLJHPRUKCTETP-UHFFFAOYSA-N 0 0 223.275 3.508 10 0 BHAERN O=C(CC1CCCCC1)c1ccccc1 ZINC000034562972 385285950 /nfs/dbraw/zinc/28/59/50/385285950.db2.gz ZWVXMGIAPJZXCO-UHFFFAOYSA-N 0 0 202.297 3.840 10 0 BHAERN Cc1ccc([C@@H]2Cc3ccccc3C2=O)cc1 ZINC000034563948 345832289 /nfs/dbraw/zinc/83/22/89/345832289.db2.gz JDYWONILXOUWBP-HNNXBMFYSA-N 0 0 222.287 3.518 10 0 BHAERN Cc1ccc([C@H]2Cc3ccccc3C2=O)cc1 ZINC000034563950 345832210 /nfs/dbraw/zinc/83/22/10/345832210.db2.gz JDYWONILXOUWBP-OAHLLOKOSA-N 0 0 222.287 3.518 10 0 BHAERN CCOC(=O)c1ccccc1-c1ccc(C)cc1 ZINC000034564743 170299080 /nfs/dbraw/zinc/29/90/80/170299080.db2.gz LNXJXSGTLAYHQS-UHFFFAOYSA-N 0 0 240.302 3.839 10 0 BHAERN O=C1CCc2cc(-c3ccsc3)ccc21 ZINC000034566298 345832287 /nfs/dbraw/zinc/83/22/87/345832287.db2.gz IAHOZZMRIXPROR-UHFFFAOYSA-N 0 0 214.289 3.544 10 0 BHAERN CC(=O)/C(=C/c1ccc(Cl)cc1)CCl ZINC000034566710 345831865 /nfs/dbraw/zinc/83/18/65/345831865.db2.gz SJHKRKOLPAMPTM-UXBLZVDNSA-N 0 0 229.106 3.551 10 0 BHAERN COc1ccc(Oc2cccc(Cl)n2)cc1 ZINC000034567034 175173989 /nfs/dbraw/zinc/17/39/89/175173989.db2.gz IHARHRATCWAVDX-UHFFFAOYSA-N 0 0 235.670 3.536 10 0 BHAERN COCOc1ccc(/C=C/c2ccccc2)cc1 ZINC000034567267 345832129 /nfs/dbraw/zinc/83/21/29/345832129.db2.gz FTKZCVJSSCEODH-BQYQJAHWSA-N 0 0 240.302 3.840 10 0 BHAERN C[S@@](=O)(=Nc1ccccc1F)c1ccccc1 ZINC000034567944 368375955 /nfs/dbraw/zinc/37/59/55/368375955.db2.gz RHAQTKXFVOHOBN-KRWDZBQOSA-N 0 0 249.310 3.614 10 0 BHAERN CC[C@@H](C)C(=O)c1ccc(SC)cc1 ZINC000034568541 346950374 /nfs/dbraw/zinc/95/03/74/346950374.db2.gz DDDHAOBPBMDNLV-SECBINFHSA-N 0 0 208.326 3.637 10 0 BHAERN CC[C@H](C)C(=O)c1ccc(SC)cc1 ZINC000034568543 346950462 /nfs/dbraw/zinc/95/04/62/346950462.db2.gz DDDHAOBPBMDNLV-VIFPVBQESA-N 0 0 208.326 3.637 10 0 BHAERN O=C1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000034568922 346950053 /nfs/dbraw/zinc/95/00/53/346950053.db2.gz SKNMASWKKBMMFF-UHFFFAOYSA-N 0 0 231.270 3.534 10 0 BHAERN Cc1cc2c(c(C)c1Cl)CC(C)(C)O2 ZINC000034569106 178282126 /nfs/dbraw/zinc/28/21/26/178282126.db2.gz PPBQQKALDDQQFV-UHFFFAOYSA-N 0 0 210.704 3.670 10 0 BHAERN c1nc(-c2ccccc2)cn1-c1ccccc1 ZINC000034569572 345832280 /nfs/dbraw/zinc/83/22/80/345832280.db2.gz MNVJWSJDEPFMJF-UHFFFAOYSA-N 0 0 220.275 3.539 10 0 BHAERN O[C@H](CSc1ccccc1)c1ccccc1 ZINC000034570180 183227094 /nfs/dbraw/zinc/22/70/94/183227094.db2.gz XAIBVIWAJLFVEG-CQSZACIVSA-N 0 0 230.332 3.512 10 0 BHAERN Nc1ccc(Cl)cc1-c1nc2ccccc2o1 ZINC000034570975 343274953 /nfs/dbraw/zinc/27/49/53/343274953.db2.gz HEIPBIUWPIUSSP-UHFFFAOYSA-N 0 0 244.681 3.730 10 0 BHAERN CCOc1ccccc1-c1nc2ccccc2[nH]1 ZINC000034581356 187257333 /nfs/dbraw/zinc/25/73/33/187257333.db2.gz NKOUTJDIYHCZMB-UHFFFAOYSA-N 0 0 238.290 3.629 10 0 BHAERN C/C=C(C)/C=C/CP(=O)(OCC)OCC ZINC000034581521 342726147 /nfs/dbraw/zinc/72/61/47/342726147.db2.gz DELDOTLENOAILT-SXGHKVHISA-N 0 0 232.260 3.775 10 0 BHAERN O[C@@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000034581581 183183233 /nfs/dbraw/zinc/18/32/33/183183233.db2.gz ABRLOTURLDQJIL-AWEZNQCLSA-N 0 0 232.710 3.616 10 0 BHAERN O[C@H](Cc1ccccc1)c1ccc(Cl)cc1 ZINC000034581583 183227266 /nfs/dbraw/zinc/22/72/66/183227266.db2.gz ABRLOTURLDQJIL-CQSZACIVSA-N 0 0 232.710 3.616 10 0 BHAERN CC(C)(C)c1cc(=O)cc(C(C)(C)C)s1 ZINC000034583856 188012429 /nfs/dbraw/zinc/01/24/29/188012429.db2.gz WHSBOSUZWSOOJX-UHFFFAOYSA-N 0 0 224.369 3.703 10 0 BHAERN O[C@@H](Cc1ccccc1)c1ccccc1Cl ZINC000034584021 183183606 /nfs/dbraw/zinc/18/36/06/183183606.db2.gz ANGSGWHEASHNHD-AWEZNQCLSA-N 0 0 232.710 3.616 10 0 BHAERN O[C@H](Cc1ccccc1)c1ccccc1Cl ZINC000034584022 183227873 /nfs/dbraw/zinc/22/78/73/183227873.db2.gz ANGSGWHEASHNHD-CQSZACIVSA-N 0 0 232.710 3.616 10 0 BHAERN OCCCCCCCCOCc1ccccc1 ZINC000034584116 345834156 /nfs/dbraw/zinc/83/41/56/345834156.db2.gz GKDWUSXKHXCYEA-UHFFFAOYSA-N 0 0 236.355 3.536 10 0 BHAERN O=C(Cc1cccc2ccccc21)c1ccccn1 ZINC000034584355 182042947 /nfs/dbraw/zinc/04/29/47/182042947.db2.gz FADKZQANAWLHAL-UHFFFAOYSA-N 0 0 247.297 3.660 10 0 BHAERN Cc1ccc(-c2cncc(Br)c2)cc1 ZINC000034584371 178329527 /nfs/dbraw/zinc/32/95/27/178329527.db2.gz LIJHUAGNCKQXQL-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN CC(C)CCC(=O)c1ccc2[nH]ccc2c1 ZINC000034586212 343275493 /nfs/dbraw/zinc/27/54/93/343275493.db2.gz UHPPUPAQNSSWGK-UHFFFAOYSA-N 0 0 215.296 3.787 10 0 BHAERN CC(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC000034586336 347153684 /nfs/dbraw/zinc/15/36/84/347153684.db2.gz RAIFCCIFNCQZFP-UHFFFAOYSA-N 0 0 220.312 3.842 10 0 BHAERN C(=C/c1ccccc1)\c1onc2ccccc12 ZINC000034586358 345834181 /nfs/dbraw/zinc/83/41/81/345834181.db2.gz OFYABNGAZCHOFU-ZHACJKMWSA-N 0 0 221.259 3.998 10 0 BHAERN c1[nH]c(-c2ccccc2)nc1Cc1ccccc1 ZINC000034586729 385287933 /nfs/dbraw/zinc/28/79/33/385287933.db2.gz YATKABCHSRLDGQ-UHFFFAOYSA-N 0 0 234.302 3.668 10 0 BHAERN Cc1cc(C(=O)CC#N)cc2ccc(Cl)cc12 ZINC000034587002 345834546 /nfs/dbraw/zinc/83/45/46/345834546.db2.gz MTAYJWTZUFBBCA-UHFFFAOYSA-N 0 0 243.693 3.898 10 0 BHAERN Oc1ccc2ccccc2c1C(F)(F)F ZINC000034589141 347118635 /nfs/dbraw/zinc/11/86/35/347118635.db2.gz HHOPQMXMPJYNKN-UHFFFAOYSA-N 0 0 212.170 3.564 10 0 BHAERN O=Cc1ccc(Cl)cc1Cc1ccccc1 ZINC000034589323 345834569 /nfs/dbraw/zinc/83/45/69/345834569.db2.gz DJNDTMJICQUTSN-UHFFFAOYSA-N 0 0 230.694 3.743 10 0 BHAERN C[C@@H]1CCc2c(Cl)c(Cl)ccc2N1 ZINC000034590069 176238958 /nfs/dbraw/zinc/23/89/58/176238958.db2.gz FIHLDDPLRJNCMR-ZCFIWIBFSA-N 0 0 216.111 3.740 10 0 BHAERN C[C@H]1CCc2c(Cl)c(Cl)ccc2N1 ZINC000034590071 177209041 /nfs/dbraw/zinc/20/90/41/177209041.db2.gz FIHLDDPLRJNCMR-LURJTMIESA-N 0 0 216.111 3.740 10 0 BHAERN Cc1cccc2c1[C@H](C)C=C(C)[C@H](C)N2 ZINC000034590168 168125778 /nfs/dbraw/zinc/12/57/78/168125778.db2.gz AXSLWQBNRXIAKO-NEPJUHHUSA-N 0 0 201.313 3.859 10 0 BHAERN Cc1cccc2c1[C@@H](C)C=C(C)[C@H](C)N2 ZINC000034590169 168132327 /nfs/dbraw/zinc/13/23/27/168132327.db2.gz AXSLWQBNRXIAKO-RYUDHWBXSA-N 0 0 201.313 3.859 10 0 BHAERN Cc1cccc2c1[C@H](C)C=C(C)[C@@H](C)N2 ZINC000034590171 168125775 /nfs/dbraw/zinc/12/57/75/168125775.db2.gz AXSLWQBNRXIAKO-VXGBXAGGSA-N 0 0 201.313 3.859 10 0 BHAERN Cc1cccc2c1[C@@H](C)C=C(C)[C@@H](C)N2 ZINC000034590173 168132177 /nfs/dbraw/zinc/13/21/77/168132177.db2.gz AXSLWQBNRXIAKO-NWDGAFQWSA-N 0 0 201.313 3.859 10 0 BHAERN Cc1cc(Cl)c2cc(C)c(C)cc2n1 ZINC000034590797 178062277 /nfs/dbraw/zinc/06/22/77/178062277.db2.gz ICCLCOPVFLPOOV-UHFFFAOYSA-N 0 0 205.688 3.813 10 0 BHAERN COc1ccc(C2=CCCCC2)cc1OC ZINC000034590943 175085024 /nfs/dbraw/zinc/08/50/24/175085024.db2.gz VNIXWXKJWKLIAP-UHFFFAOYSA-N 0 0 218.296 3.661 10 0 BHAERN C[C@@H]1C2c3ccccc3CN1Cc1ccccc12 ZINC000034591868 345834428 /nfs/dbraw/zinc/83/44/28/345834428.db2.gz NMHUDUPMWLSITQ-GFCCVEGCSA-N 0 0 235.330 3.536 10 0 BHAERN CC1=C(Cl)C=C[P@](=O)(c2ccccc2)C1 ZINC000034592056 398110166 /nfs/dbraw/zinc/11/01/66/398110166.db2.gz YEVJITYGOMMALI-OAHLLOKOSA-N 0 0 238.654 3.715 10 0 BHAERN CC1=C(Cl)C=C[P@@](=O)(c2ccccc2)C1 ZINC000034592058 398110061 /nfs/dbraw/zinc/11/00/61/398110061.db2.gz YEVJITYGOMMALI-HNNXBMFYSA-N 0 0 238.654 3.715 10 0 BHAERN Cc1c2ccccc2[nH]c1-c1cccnc1 ZINC000034595373 350472142 /nfs/dbraw/zinc/47/21/42/350472142.db2.gz AOQRSYDGSPJRIH-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN c1ccc([C@@H]2C=Cc3ccccc3N2)cc1 ZINC000034598815 350471884 /nfs/dbraw/zinc/47/18/84/350471884.db2.gz SSVDWJQRYHWFTC-HNNXBMFYSA-N 0 0 207.276 3.867 10 0 BHAERN c1ccc([C@H]2C=Cc3ccccc3N2)cc1 ZINC000034598816 345831561 /nfs/dbraw/zinc/83/15/61/345831561.db2.gz SSVDWJQRYHWFTC-OAHLLOKOSA-N 0 0 207.276 3.867 10 0 BHAERN Fc1ccc(Nc2nc3ccccc3[nH]2)cc1F ZINC000034603773 347230128 /nfs/dbraw/zinc/23/01/28/347230128.db2.gz WSZXVQQZOGCKDD-UHFFFAOYSA-N 0 0 245.232 3.585 10 0 BHAERN Cc1cc(Nc2nc3ccccc3[nH]2)ccc1F ZINC000034603776 178194137 /nfs/dbraw/zinc/19/41/37/178194137.db2.gz LLXCHOGIKFCMMS-UHFFFAOYSA-N 0 0 241.269 3.754 10 0 BHAERN Cc1oc2ccccc2c1Br ZINC000034604602 363146079 /nfs/dbraw/zinc/14/60/79/363146079.db2.gz OEGMISNFEAVBHA-UHFFFAOYSA-N 0 0 211.058 3.504 10 0 BHAERN COCCn1c2ccccc2c2cc(C)ccc21 ZINC000034605064 345837320 /nfs/dbraw/zinc/83/73/20/345837320.db2.gz XXEBAAYZHVUHFS-UHFFFAOYSA-N 0 0 239.318 3.749 10 0 BHAERN O=C1CC[C@@H](c2ccc(-c3ccccc3)cc2)O1 ZINC000034606779 360461614 /nfs/dbraw/zinc/46/16/14/360461614.db2.gz HHTFWDAMSNSUSO-HNNXBMFYSA-N 0 0 238.286 3.732 10 0 BHAERN O=C1CC[C@H](c2ccc(-c3ccccc3)cc2)O1 ZINC000034606780 360461354 /nfs/dbraw/zinc/46/13/54/360461354.db2.gz HHTFWDAMSNSUSO-OAHLLOKOSA-N 0 0 238.286 3.732 10 0 BHAERN O[C@@H]1CCCC1(c1ccccc1)c1ccccc1 ZINC000034606809 345837650 /nfs/dbraw/zinc/83/76/50/345837650.db2.gz TYFASEURNPWTII-MRXNPFEDSA-N 0 0 238.330 3.518 10 0 BHAERN CC(=O)c1cc2ccccc2n1Cc1ccccc1 ZINC000034607125 345837932 /nfs/dbraw/zinc/83/79/32/345837932.db2.gz AWEWMSVEEMVKHF-UHFFFAOYSA-N 0 0 249.313 3.892 10 0 BHAERN C=CC(=O)OCc1ccc(-c2ccccc2)cc1 ZINC000034612527 347256179 /nfs/dbraw/zinc/25/61/79/347256179.db2.gz QBECDXJGYFRACA-UHFFFAOYSA-N 0 0 238.286 3.583 10 0 BHAERN S=c1ssc2c1SCCS2 ZINC000034613449 183315679 /nfs/dbraw/zinc/31/56/79/183315679.db2.gz AEDCVUAGZBIZKT-UHFFFAOYSA-N 0 0 224.422 3.737 10 0 BHAERN Cc1cccc2c1noc2-c1ccccc1 ZINC000034615665 345837903 /nfs/dbraw/zinc/83/79/03/345837903.db2.gz AJUYKTRGYLRWNE-UHFFFAOYSA-N 0 0 209.248 3.803 10 0 BHAERN Oc1ccc(-c2ccc3ccccc3c2)nc1 ZINC000034618062 183264807 /nfs/dbraw/zinc/26/48/07/183264807.db2.gz AIAUUFAVLGHCCY-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN CCOC(=N)c1ccc(-c2ccccc2)cc1 ZINC000034618130 170180277 /nfs/dbraw/zinc/18/02/77/170180277.db2.gz PZFGERBCUVTZNE-UHFFFAOYSA-N 0 0 225.291 3.715 10 0 BHAERN CC(C)(C)c1cc(C(C)(C)C)npn1 ZINC000034619648 188099005 /nfs/dbraw/zinc/09/90/05/188099005.db2.gz BXCHDFGELAPRBO-UHFFFAOYSA-N 0 0 210.261 3.652 10 0 BHAERN CNc1ccccc1Oc1ccccc1NC ZINC000034620954 385286781 /nfs/dbraw/zinc/28/67/81/385286781.db2.gz BDLJHINZMLLYBK-UHFFFAOYSA-N 0 0 228.295 3.562 10 0 BHAERN c1ccc(C2=CCOc3ccccc32)cc1 ZINC000034622896 343276240 /nfs/dbraw/zinc/27/62/40/343276240.db2.gz FVLQEFBCRZSAQO-UHFFFAOYSA-N 0 0 208.260 3.511 10 0 BHAERN CC(=O)c1ccc2c(c1)C(C)(C)CC(C)(C)O2 ZINC000034623123 385965604 /nfs/dbraw/zinc/96/56/04/385965604.db2.gz WKALQROSCJBFLA-UHFFFAOYSA-N 0 0 232.323 3.728 10 0 BHAERN Oc1cc(Br)cc(-c2ccccc2)c1 ZINC000034623242 183257106 /nfs/dbraw/zinc/25/71/06/183257106.db2.gz JCQWHMKUEMXGQC-UHFFFAOYSA-N 0 0 249.107 3.822 10 0 BHAERN C[C@H](O)c1ccccc1-c1ccc(F)cc1 ZINC000034623268 345835946 /nfs/dbraw/zinc/83/59/46/345835946.db2.gz PQJNRDLTAZUOTG-JTQLQIEISA-N 0 0 216.255 3.546 10 0 BHAERN C[C@@H](O)c1ccccc1-c1ccc(F)cc1 ZINC000034623270 345835850 /nfs/dbraw/zinc/83/58/50/345835850.db2.gz PQJNRDLTAZUOTG-SNVBAGLBSA-N 0 0 216.255 3.546 10 0 BHAERN C=Cc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000034623817 345836692 /nfs/dbraw/zinc/83/66/92/345836692.db2.gz FPRONOJSNJCKEY-UHFFFAOYSA-N 0 0 226.323 3.813 10 0 BHAERN C=CCn1ccc2cccc(Br)c21 ZINC000034624273 385964564 /nfs/dbraw/zinc/96/45/64/385964564.db2.gz IXSVQCRSNDHMKG-UHFFFAOYSA-N 0 0 236.112 3.590 10 0 BHAERN O=C(/C=C/C1CCCC1)c1ccccc1 ZINC000034645392 345837342 /nfs/dbraw/zinc/83/73/42/345837342.db2.gz NGQRTGLTVZALAJ-ZHACJKMWSA-N 0 0 200.281 3.616 10 0 BHAERN Cc1ccc(/C=C\C(=O)c2ccc(C)cc2)o1 ZINC000034705110 343277559 /nfs/dbraw/zinc/27/75/59/343277559.db2.gz MDTLMGGZIIBQHH-KTKRTIGZSA-N 0 0 226.275 3.793 10 0 BHAERN Cc1sc2nc(-c3ccc(C)cc3)cn2c1C ZINC000034723073 178327721 /nfs/dbraw/zinc/32/77/21/178327721.db2.gz FGTAHWDOWDWKDF-UHFFFAOYSA-N 0 0 242.347 3.988 10 0 BHAERN Cc1cccc2ccc(-c3ccccn3)nc12 ZINC000034723237 345839526 /nfs/dbraw/zinc/83/95/26/345839526.db2.gz HEBUOIUEEASEPK-UHFFFAOYSA-N 0 0 220.275 3.605 10 0 BHAERN Cc1c(Cl)cccc1-c1nc2ncccc2o1 ZINC000034724123 177600017 /nfs/dbraw/zinc/60/00/17/177600017.db2.gz LEOVFDDRSTYZFR-UHFFFAOYSA-N 0 0 244.681 3.852 10 0 BHAERN Cc1cccc(-c2nc3ncccc3o2)c1Cl ZINC000034724126 178997143 /nfs/dbraw/zinc/99/71/43/178997143.db2.gz BHTFQHPYTBRSLG-UHFFFAOYSA-N 0 0 244.681 3.852 10 0 BHAERN COc1ccc(Sc2ccc(C=O)cc2)cc1 ZINC000034729693 188284935 /nfs/dbraw/zinc/28/49/35/188284935.db2.gz YMKFICGDWCISCN-UHFFFAOYSA-N 0 0 244.315 3.659 10 0 BHAERN CCC1(O)c2ccccc2C=Cc2ccccc21 ZINC000034746170 345839896 /nfs/dbraw/zinc/83/98/96/345839896.db2.gz LUYJZOAGAALKNQ-UHFFFAOYSA-N 0 0 236.314 3.816 10 0 BHAERN O=Cc1cccc(Oc2cccc(Cl)c2)c1 ZINC000034746233 398015266 /nfs/dbraw/zinc/01/52/66/398015266.db2.gz DXVLUKXDGGNEFU-UHFFFAOYSA-N 0 0 232.666 3.945 10 0 BHAERN Cc1cc(Cl)ccc1Oc1ncc(N)cc1C ZINC000034754405 178070031 /nfs/dbraw/zinc/07/00/31/178070031.db2.gz IBTNTZJFXMOBDL-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN Brc1cc(-c2ccncc2)cs1 ZINC000034770794 166095560 /nfs/dbraw/zinc/09/55/60/166095560.db2.gz UZWSBEQOGAIHJI-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN CC[C@@H](C)NC(=O)/C=C\c1ccc(C(C)C)cc1 ZINC000034798679 343278992 /nfs/dbraw/zinc/27/89/92/343278992.db2.gz CENJGCHVVYWLEU-BIRHUZIMSA-N 0 0 245.366 3.738 10 0 BHAERN CC[C@H](C)NC(=O)/C=C\c1ccc(C(C)C)cc1 ZINC000034798680 171321933 /nfs/dbraw/zinc/32/19/33/171321933.db2.gz CENJGCHVVYWLEU-ZWXCPPHNSA-N 0 0 245.366 3.738 10 0 BHAERN Fc1ccccc1-c1cc2c(nn1)CCCCC2 ZINC000034805024 181009630 /nfs/dbraw/zinc/00/96/30/181009630.db2.gz UDANGMIVOAMLMF-UHFFFAOYSA-N 0 0 242.297 3.552 10 0 BHAERN CC1=CC[C@H](/C=C/C(C)(C)[C@@H](C)O)C1(C)C ZINC000034849906 168120138 /nfs/dbraw/zinc/12/01/38/168120138.db2.gz QZFSNJAQFWEXEA-WGVUZWOWSA-N 0 0 222.372 3.942 10 0 BHAERN CC1=CC[C@@H](/C=C/C(C)(C)[C@@H](C)O)C1(C)C ZINC000034849907 168116660 /nfs/dbraw/zinc/11/66/60/168116660.db2.gz QZFSNJAQFWEXEA-GBYBRZQVSA-N 0 0 222.372 3.942 10 0 BHAERN CC1=CC[C@H](/C=C/C(C)(C)[C@H](C)O)C1(C)C ZINC000034849908 168120221 /nfs/dbraw/zinc/12/02/21/168120221.db2.gz QZFSNJAQFWEXEA-CCJARXIYSA-N 0 0 222.372 3.942 10 0 BHAERN CC1=CC[C@@H](/C=C/C(C)(C)[C@H](C)O)C1(C)C ZINC000034849909 168118046 /nfs/dbraw/zinc/11/80/46/168118046.db2.gz QZFSNJAQFWEXEA-MZWKFTRPSA-N 0 0 222.372 3.942 10 0 BHAERN C/C=C\C(=O)Nc1cccc(Cl)c1Cl ZINC000034878497 351327430 /nfs/dbraw/zinc/32/74/30/351327430.db2.gz VQGCFBZZPNFOTQ-RQOWECAXSA-N 0 0 230.094 3.508 10 0 BHAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](O)[C@@H]2Cc1ccccc1 ZINC000034924557 168010881 /nfs/dbraw/zinc/01/08/81/168010881.db2.gz GADSJJYOMMDNRG-JYYAWHABSA-N 0 0 244.378 3.662 10 0 BHAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2Cc1ccccc1 ZINC000034924558 168003438 /nfs/dbraw/zinc/00/34/38/168003438.db2.gz GADSJJYOMMDNRG-ANQUJSFKSA-N 0 0 244.378 3.662 10 0 BHAERN CC(C)(C)Nc1nc2ccccc2s1 ZINC000034937240 351351365 /nfs/dbraw/zinc/35/13/65/351351365.db2.gz DBGNFSPOTXCHES-UHFFFAOYSA-N 0 0 206.314 3.507 10 0 BHAERN Oc1ccc(-c2nc(-c3ccco3)cs2)cc1 ZINC000034937501 183264098 /nfs/dbraw/zinc/26/40/98/183264098.db2.gz NATCRTZWMCNMLB-UHFFFAOYSA-N 0 0 243.287 3.776 10 0 BHAERN CC(=O)c1ccccc1SCc1ccco1 ZINC000034937979 166484419 /nfs/dbraw/zinc/48/44/19/166484419.db2.gz FOUHQCUXMCVGSH-UHFFFAOYSA-N 0 0 232.304 3.775 10 0 BHAERN Nc1ccsc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000034939080 351354429 /nfs/dbraw/zinc/35/44/29/351354429.db2.gz ZWGFOZOILMLAGM-UHFFFAOYSA-N 0 0 249.726 3.527 10 0 BHAERN Nc1cc(Cl)ccc1-c1nc2ccccc2o1 ZINC000034939386 351355309 /nfs/dbraw/zinc/35/53/09/351355309.db2.gz UUNPGPFJVQNTKG-UHFFFAOYSA-N 0 0 244.681 3.730 10 0 BHAERN Nc1ccccc1-c1nc2cc(Cl)ccc2o1 ZINC000034939389 181751262 /nfs/dbraw/zinc/75/12/62/181751262.db2.gz NDKPUIWCARCSJW-UHFFFAOYSA-N 0 0 244.681 3.730 10 0 BHAERN CC(C)C[C@@H](N)c1nc2cc(Cl)ccc2o1 ZINC000034939396 351355575 /nfs/dbraw/zinc/35/55/75/351355575.db2.gz OTTKINMOUVUXSI-SECBINFHSA-N 0 0 238.718 3.527 10 0 BHAERN Nc1cc(C(F)(F)F)ccc1NC1CCCC1 ZINC000034939561 351355904 /nfs/dbraw/zinc/35/59/04/351355904.db2.gz OPGCTDGUAIWPMT-UHFFFAOYSA-N 0 0 244.260 3.642 10 0 BHAERN Nc1ccc(NC2CCCC2)cc1C(F)(F)F ZINC000034939562 351355727 /nfs/dbraw/zinc/35/57/27/351355727.db2.gz DVWXKCLNDYQYEC-UHFFFAOYSA-N 0 0 244.260 3.642 10 0 BHAERN Cc1cccc(-c2nc3ccc(N)cc3o2)c1C ZINC000034939996 178996920 /nfs/dbraw/zinc/99/69/20/178996920.db2.gz VTHLWNBHFFFURX-UHFFFAOYSA-N 0 0 238.290 3.694 10 0 BHAERN Nc1ccc2nc(CCC3CCCC3)oc2c1 ZINC000034940023 351356949 /nfs/dbraw/zinc/35/69/49/351356949.db2.gz TUGFQQHVDKBYLU-UHFFFAOYSA-N 0 0 230.311 3.533 10 0 BHAERN O=C(Cc1nc2ccccc2o1)C1CCCCC1 ZINC000034940206 182061422 /nfs/dbraw/zinc/06/14/22/182061422.db2.gz DQNFQLRNUBDSOE-UHFFFAOYSA-N 0 0 243.306 3.520 10 0 BHAERN O=C(Cc1nc2ccccc2s1)C1CCCC1 ZINC000034940267 182061061 /nfs/dbraw/zinc/06/10/61/182061061.db2.gz WUGPVIAZJWWEFN-UHFFFAOYSA-N 0 0 245.347 3.598 10 0 BHAERN O=C(Cc1ccc2ccccc2n1)C1CCCC1 ZINC000034940354 182038219 /nfs/dbraw/zinc/03/82/19/182038219.db2.gz AOFGIXNWVNAQTM-UHFFFAOYSA-N 0 0 239.318 3.537 10 0 BHAERN O=[S@](c1ccccc1)c1cccc(Cl)c1 ZINC000034951736 182968245 /nfs/dbraw/zinc/96/82/45/182968245.db2.gz UDLROEUYJDJKOD-HNNXBMFYSA-N 0 0 236.723 3.507 10 0 BHAERN O=[S@@](c1ccccc1)c1cccc(Cl)c1 ZINC000034951738 343281320 /nfs/dbraw/zinc/28/13/20/343281320.db2.gz UDLROEUYJDJKOD-OAHLLOKOSA-N 0 0 236.723 3.507 10 0 BHAERN Oc1cccc(-c2nc(-c3ccco3)cs2)c1 ZINC000034956347 183288234 /nfs/dbraw/zinc/28/82/34/183288234.db2.gz MMZAPZYZNINAII-UHFFFAOYSA-N 0 0 243.287 3.776 10 0 BHAERN Fc1c(Cl)cccc1NCc1ccco1 ZINC000034957201 351362683 /nfs/dbraw/zinc/36/26/83/351362683.db2.gz BOEXSOCZWVGCGN-UHFFFAOYSA-N 0 0 225.650 3.684 10 0 BHAERN CCN(c1ccccc1)c1ccc(N)cc1F ZINC000034957389 351363096 /nfs/dbraw/zinc/36/30/96/351363096.db2.gz WXVZOMOVSPMBBA-UHFFFAOYSA-N 0 0 230.286 3.566 10 0 BHAERN Cc1ccc(CNc2c(F)cccc2F)s1 ZINC000034957554 351362732 /nfs/dbraw/zinc/36/27/32/351362732.db2.gz GAASJMCSZBIPDK-UHFFFAOYSA-N 0 0 239.290 3.947 10 0 BHAERN C[C@H](Nc1c(F)cccc1F)c1ccco1 ZINC000034957559 351362925 /nfs/dbraw/zinc/36/29/25/351362925.db2.gz YOQHDSHJEARHHH-QMMMGPOBSA-N 0 0 223.222 3.731 10 0 BHAERN C[C@@H](Nc1c(F)cccc1F)c1ccco1 ZINC000034957560 351362985 /nfs/dbraw/zinc/36/29/85/351362985.db2.gz YOQHDSHJEARHHH-MRVPVSSYSA-N 0 0 223.222 3.731 10 0 BHAERN C[C@H](Nc1c(F)cccc1F)c1ccccn1 ZINC000034957565 351362806 /nfs/dbraw/zinc/36/28/06/351362806.db2.gz GUWDZAYANCVIHV-VIFPVBQESA-N 0 0 234.249 3.533 10 0 BHAERN C[C@@H](Nc1c(F)cccc1F)c1ccccn1 ZINC000034957566 351363028 /nfs/dbraw/zinc/36/30/28/351363028.db2.gz GUWDZAYANCVIHV-SECBINFHSA-N 0 0 234.249 3.533 10 0 BHAERN Cc1ccsc1CNc1c(F)cccc1F ZINC000034957568 343281884 /nfs/dbraw/zinc/28/18/84/343281884.db2.gz PRZSISLXALEWMC-UHFFFAOYSA-N 0 0 239.290 3.947 10 0 BHAERN C[C@H](O[C@H]1CCC[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000034958225 177138306 /nfs/dbraw/zinc/13/83/06/177138306.db2.gz FKIXDYOUVWYXQY-SDADXPQNSA-N 0 0 247.382 3.670 10 0 BHAERN C/C=C/c1ccccc1Oc1ccc(Cl)nn1 ZINC000034958466 187257723 /nfs/dbraw/zinc/25/77/23/187257723.db2.gz YYUHVBJQXGMGBX-GORDUTHDSA-N 0 0 246.697 3.955 10 0 BHAERN C/C=C/c1ccccc1Oc1cncc(Cl)n1 ZINC000034958467 351364003 /nfs/dbraw/zinc/36/40/03/351364003.db2.gz URNWENOUOYOUPS-GORDUTHDSA-N 0 0 246.697 3.955 10 0 BHAERN CC(C)[C@@H](C)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000034958860 167386065 /nfs/dbraw/zinc/38/60/65/167386065.db2.gz QYQANGWGRANGNB-MRVPVSSYSA-N 0 0 246.276 3.744 10 0 BHAERN Nc1cccc(Nc2cccc3cccnc32)c1 ZINC000034959056 181746961 /nfs/dbraw/zinc/74/69/61/181746961.db2.gz SBYDOWOFDVUAHX-UHFFFAOYSA-N 0 0 235.290 3.561 10 0 BHAERN Oc1ccccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000034961727 183300443 /nfs/dbraw/zinc/30/04/43/183300443.db2.gz MFBAVZSGFJYZLQ-UHFFFAOYSA-N 0 0 244.681 3.589 10 0 BHAERN Cc1ccc(-c2nc3ccccc3s2)cc1O ZINC000034961729 178336942 /nfs/dbraw/zinc/33/69/42/178336942.db2.gz ZSIHDGKILAFVTG-UHFFFAOYSA-N 0 0 241.315 3.977 10 0 BHAERN Oc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000034962372 183277242 /nfs/dbraw/zinc/27/72/42/183277242.db2.gz IAOYKLCKOHMZNN-UHFFFAOYSA-N 0 0 234.682 3.625 10 0 BHAERN Nc1cccc(Cl)c1Nc1ccccc1 ZINC000034964360 351367715 /nfs/dbraw/zinc/36/77/15/351367715.db2.gz OWNTZDIYSQNJHF-UHFFFAOYSA-N 0 0 218.687 3.666 10 0 BHAERN CCC(C)(C)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000034964369 168303032 /nfs/dbraw/zinc/30/30/32/168303032.db2.gz YBYIYJHQDZGJBR-UHFFFAOYSA-N 0 0 246.276 3.888 10 0 BHAERN CCC(C)(C)Nc1ccc(Cl)cc1N ZINC000034964373 168303192 /nfs/dbraw/zinc/30/31/92/168303192.db2.gz DSVSGWFCTPRCCP-UHFFFAOYSA-N 0 0 212.724 3.523 10 0 BHAERN Nc1ccccc1Nc1cccc2cccnc21 ZINC000034964414 351367505 /nfs/dbraw/zinc/36/75/05/351367505.db2.gz GMWMTHWSVLVUJD-UHFFFAOYSA-N 0 0 235.290 3.561 10 0 BHAERN Nc1ccccc1Nc1cccc2c1CCCC2 ZINC000034964449 181756824 /nfs/dbraw/zinc/75/68/24/181756824.db2.gz ZZFUPFCGDKTJIH-UHFFFAOYSA-N 0 0 238.334 3.891 10 0 BHAERN Nc1ccccc1Nc1cccc2ncccc21 ZINC000034964479 181757499 /nfs/dbraw/zinc/75/74/99/181757499.db2.gz XAIYMYUZRSFJHJ-UHFFFAOYSA-N 0 0 235.290 3.561 10 0 BHAERN Cc1ccccc1-c1cc2c(nn1)CCCCC2 ZINC000034965184 179235425 /nfs/dbraw/zinc/23/54/25/179235425.db2.gz FGABAZYTRIKFTD-UHFFFAOYSA-N 0 0 238.334 3.721 10 0 BHAERN Nc1cc(F)ccc1Nc1cccc(Cl)c1 ZINC000034971836 351369979 /nfs/dbraw/zinc/36/99/79/351369979.db2.gz FZEQNEKQMWNXCM-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Nc1cccc(Cl)c1Nc1cccc(F)c1 ZINC000034971839 351369971 /nfs/dbraw/zinc/36/99/71/351369971.db2.gz OLNNSYWCAHIDKX-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Nc1ccc(Nc2cccc(F)c2)c(Cl)c1 ZINC000034971840 351369692 /nfs/dbraw/zinc/36/96/92/351369692.db2.gz IGSUTXVUEOZFFL-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Nc1cc(Cl)ccc1Nc1cccc(F)c1 ZINC000034971842 181684771 /nfs/dbraw/zinc/68/47/71/181684771.db2.gz DZFNMTDOCWZJEZ-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Nc1cc(F)ccc1Nc1ccc(Cl)cc1 ZINC000034971843 351369932 /nfs/dbraw/zinc/36/99/32/351369932.db2.gz KVSTXQXREUDRJI-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Nc1cccc(Cl)c1Nc1ccc(F)cc1 ZINC000034971860 351370067 /nfs/dbraw/zinc/37/00/67/351370067.db2.gz WMQFNEARJQRYQB-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Nc1ccc(Nc2ccc(F)cc2)c(Cl)c1 ZINC000034971862 351370034 /nfs/dbraw/zinc/37/00/34/351370034.db2.gz PSAOOXDLPPDRSH-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Nc1cc(Cl)ccc1Nc1ccc(F)cc1 ZINC000034971863 351369463 /nfs/dbraw/zinc/36/94/63/351369463.db2.gz ZUYJZTTUJCNCTP-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Nc1cc(F)ccc1Nc1ccccc1Cl ZINC000034971865 351370076 /nfs/dbraw/zinc/37/00/76/351370076.db2.gz ZBFMCQABMVGVNR-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Nc1cccc(Cl)c1Nc1ccccc1F ZINC000034971869 351369433 /nfs/dbraw/zinc/36/94/33/351369433.db2.gz KFWWJEBNXYRQEU-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Nc1ccc(Nc2ccccc2F)c(Cl)c1 ZINC000034971871 351369419 /nfs/dbraw/zinc/36/94/19/351369419.db2.gz QXIARIIKMNMZOA-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Nc1cc(Cl)ccc1Nc1ccccc1F ZINC000034971872 351369909 /nfs/dbraw/zinc/36/99/09/351369909.db2.gz KJDSRBPLYVQYOX-UHFFFAOYSA-N 0 0 236.677 3.805 10 0 BHAERN Cc1c2ccccc2oc1C(=O)C(C)C ZINC000034972205 351370080 /nfs/dbraw/zinc/37/00/80/351370080.db2.gz WNBQVRYRJJOJSA-UHFFFAOYSA-N 0 0 202.253 3.580 10 0 BHAERN Cc1ccc(C(=O)c2oc3ccccc3c2C)o1 ZINC000034972207 351369728 /nfs/dbraw/zinc/36/97/28/351369728.db2.gz DCPPBMVVLOKEPP-UHFFFAOYSA-N 0 0 240.258 3.874 10 0 BHAERN CC(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000034972222 351369570 /nfs/dbraw/zinc/36/95/70/351369570.db2.gz UXJXKHOFCMFQTK-UHFFFAOYSA-N 0 0 222.671 3.925 10 0 BHAERN COc1ccc2oc(C(=O)C(C)C)c(C)c2c1 ZINC000034972230 175231567 /nfs/dbraw/zinc/23/15/67/175231567.db2.gz AELATVIZSWXNMV-UHFFFAOYSA-N 0 0 232.279 3.589 10 0 BHAERN Cc1c2ccccc2oc1[C@H](N)c1cccs1 ZINC000034972300 351370730 /nfs/dbraw/zinc/37/07/30/351370730.db2.gz ZUPGIKOCOLSVCG-CYBMUJFWSA-N 0 0 243.331 3.851 10 0 BHAERN Cc1c2ccccc2oc1[C@@H](N)c1cccs1 ZINC000034972302 351370902 /nfs/dbraw/zinc/37/09/02/351370902.db2.gz ZUPGIKOCOLSVCG-ZDUSSCGKSA-N 0 0 243.331 3.851 10 0 BHAERN CC(=O)[C@@H]1C[C@@H]1c1c(Cl)cccc1Cl ZINC000034973155 343282003 /nfs/dbraw/zinc/28/20/03/343282003.db2.gz KGBLDIRNQNTIPK-YUMQZZPRSA-N 0 0 229.106 3.686 10 0 BHAERN CC(=O)[C@H]1C[C@@H]1c1c(Cl)cccc1Cl ZINC000034973157 351370612 /nfs/dbraw/zinc/37/06/12/351370612.db2.gz KGBLDIRNQNTIPK-SFYZADRCSA-N 0 0 229.106 3.686 10 0 BHAERN CC(=O)[C@@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000034973159 351370877 /nfs/dbraw/zinc/37/08/77/351370877.db2.gz KGBLDIRNQNTIPK-JGVFFNPUSA-N 0 0 229.106 3.686 10 0 BHAERN CC(=O)[C@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000034973161 351370808 /nfs/dbraw/zinc/37/08/08/351370808.db2.gz KGBLDIRNQNTIPK-HTQZYQBOSA-N 0 0 229.106 3.686 10 0 BHAERN Fc1ccc(NCc2ccco2)c(Cl)c1 ZINC000034973209 180978820 /nfs/dbraw/zinc/97/88/20/180978820.db2.gz SYJOJSHGJOLEGS-UHFFFAOYSA-N 0 0 225.650 3.684 10 0 BHAERN O=Cc1ccc(-c2ccc(F)cc2F)s1 ZINC000034974614 636343202 /nfs/dbraw/zinc/34/32/02/636343202.db2.gz RRQFTJHKFUDHJR-UHFFFAOYSA-N 0 0 224.231 3.506 10 0 BHAERN O=Cc1ccc(-c2cccc3cccnc32)s1 ZINC000034974615 636344021 /nfs/dbraw/zinc/34/40/21/636344021.db2.gz LVHGKCITLMUHJS-UHFFFAOYSA-N 0 0 239.299 3.776 10 0 BHAERN Cc1ccc(-c2ccc(C=O)s2)cc1F ZINC000034974617 636342727 /nfs/dbraw/zinc/34/27/27/636342727.db2.gz VOHHNHUMTRETFK-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN Cc1ccc(-c2ccc(C=O)s2)cc1C ZINC000034974621 351370069 /nfs/dbraw/zinc/37/00/69/351370069.db2.gz QLOARUWVOFKQSU-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN CC(C)c1cccc(-c2ccc(C=O)o2)c1 ZINC000034975298 351369629 /nfs/dbraw/zinc/36/96/29/351369629.db2.gz KJYMUHACPKJYHY-UHFFFAOYSA-N 0 0 214.264 3.883 10 0 BHAERN O=Cc1ccc(-c2cccc(Cl)c2F)o1 ZINC000034975305 351369466 /nfs/dbraw/zinc/36/94/66/351369466.db2.gz IDPUJVSNZHLEPE-UHFFFAOYSA-N 0 0 224.618 3.552 10 0 BHAERN CC[C@@H](C)c1[nH]nc(N)c1-c1cccc(Cl)c1 ZINC000034975810 170806114 /nfs/dbraw/zinc/80/61/14/170806114.db2.gz KJYOBWLLKCHZDX-MRVPVSSYSA-N 0 0 249.745 3.826 10 0 BHAERN CCCCc1noc(N)c1-c1ccccc1C ZINC000034975940 169030129 /nfs/dbraw/zinc/03/01/29/169030129.db2.gz LNTOUSWOYBLRFZ-UHFFFAOYSA-N 0 0 230.311 3.575 10 0 BHAERN C[C@H]1C[C@@H]1c1noc(N)c1-c1cccc(Cl)c1 ZINC000034975948 177352529 /nfs/dbraw/zinc/35/25/29/177352529.db2.gz NOMDXZCUSNRNLY-XVKPBYJWSA-N 0 0 248.713 3.701 10 0 BHAERN C[C@H]1C[C@H]1c1noc(N)c1-c1cccc(Cl)c1 ZINC000034975951 177387106 /nfs/dbraw/zinc/38/71/06/177387106.db2.gz NOMDXZCUSNRNLY-OIBJUYFYSA-N 0 0 248.713 3.701 10 0 BHAERN CCC(CC)C(=O)c1cc(C)ccc1C ZINC000034976447 351371635 /nfs/dbraw/zinc/37/16/35/351371635.db2.gz FQTNDIDENWSGFO-UHFFFAOYSA-N 0 0 204.313 3.922 10 0 BHAERN Cc1cc(C)c(C)c(C(=O)C2CCC2)c1C ZINC000034976456 351371662 /nfs/dbraw/zinc/37/16/62/351371662.db2.gz JGEUWSGAFCMAAE-UHFFFAOYSA-N 0 0 216.324 3.903 10 0 BHAERN CC(C)(C)CC(=O)c1cc(F)ccc1F ZINC000034976471 351371416 /nfs/dbraw/zinc/37/14/16/351371416.db2.gz XVGNETNGECLHGU-UHFFFAOYSA-N 0 0 212.239 3.584 10 0 BHAERN Cc1ccc(C(=O)c2cc(F)ccc2F)cc1 ZINC000034976479 351371760 /nfs/dbraw/zinc/37/17/60/351371760.db2.gz KFZZCVAMLNETCB-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN CCCCC(=O)c1c(C)cc(C)cc1C ZINC000034976492 351371690 /nfs/dbraw/zinc/37/16/90/351371690.db2.gz VDOHSYPKRDVSNY-UHFFFAOYSA-N 0 0 204.313 3.985 10 0 BHAERN Cc1cc(C)c(C(=O)CC(F)(F)F)c(C)c1 ZINC000034976494 351371775 /nfs/dbraw/zinc/37/17/75/351371775.db2.gz IHIBCSOXQCBQGS-UHFFFAOYSA-N 0 0 230.229 3.747 10 0 BHAERN O=C(CCC1CCCC1)c1ccc(F)cc1 ZINC000034976510 351371700 /nfs/dbraw/zinc/37/17/00/351371700.db2.gz FTPHIWCJRFFMLV-UHFFFAOYSA-N 0 0 220.287 3.979 10 0 BHAERN Cc1cc(C)cc(C(=O)c2ccc(F)cc2)c1 ZINC000034976519 351371751 /nfs/dbraw/zinc/37/17/51/351371751.db2.gz DTGLRFXDHSWBOT-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1ccccc1C(=O)c1ccc(F)cc1F ZINC000034976529 179253131 /nfs/dbraw/zinc/25/31/31/179253131.db2.gz NXRABPRCJXKPMP-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(C)cc1C ZINC000034976556 342881675 /nfs/dbraw/zinc/88/16/75/342881675.db2.gz FCKHSNADNGCVDQ-LLVKDONJSA-N 0 0 204.313 3.922 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(C)cc1C ZINC000034976557 351371771 /nfs/dbraw/zinc/37/17/71/351371771.db2.gz FCKHSNADNGCVDQ-NSHDSACASA-N 0 0 204.313 3.922 10 0 BHAERN Cc1ccc(C(=O)Cc2ccccc2)c(C)c1 ZINC000034976561 178374941 /nfs/dbraw/zinc/37/49/41/178374941.db2.gz KJAUDBXFCKCQKR-UHFFFAOYSA-N 0 0 224.303 3.729 10 0 BHAERN Cc1ccc(C(=O)c2ccccc2F)c(C)c1 ZINC000034976571 188145595 /nfs/dbraw/zinc/14/55/95/188145595.db2.gz INEPVYKLEHAPIR-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN CCCc1ccc(C(=O)C(C)(C)C)cc1 ZINC000034976580 351371765 /nfs/dbraw/zinc/37/17/65/351371765.db2.gz UCRIPZXXXQZNPX-UHFFFAOYSA-N 0 0 204.313 3.868 10 0 BHAERN CCC(CC)C(=O)c1ccc(F)c(F)c1 ZINC000034976626 351368552 /nfs/dbraw/zinc/36/85/52/351368552.db2.gz YHEFWBYQFAIVJR-UHFFFAOYSA-N 0 0 212.239 3.584 10 0 BHAERN CCc1ccc(C(=O)c2ccccc2F)cc1 ZINC000034976677 171788705 /nfs/dbraw/zinc/78/87/05/171788705.db2.gz NAVGYHBNEHSVAI-UHFFFAOYSA-N 0 0 228.266 3.619 10 0 BHAERN COc1ccc(C(=O)CCC2CCCC2)cc1 ZINC000034976685 175053593 /nfs/dbraw/zinc/05/35/93/175053593.db2.gz YTEZLYPKENVKFV-UHFFFAOYSA-N 0 0 232.323 3.848 10 0 BHAERN Cc1cccc(C(=O)c2cccs2)c1C ZINC000034976733 351368703 /nfs/dbraw/zinc/36/87/03/351368703.db2.gz LMDYSDVZPWZKMU-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN O=C(CCC1CCCC1)c1cccs1 ZINC000034976736 351368623 /nfs/dbraw/zinc/36/86/23/351368623.db2.gz QLVOYHGFWPERCC-UHFFFAOYSA-N 0 0 208.326 3.901 10 0 BHAERN O=C(c1cccs1)c1cc(Cl)ccc1F ZINC000034976742 351368382 /nfs/dbraw/zinc/36/83/82/351368382.db2.gz UMNAODHRUSZRHH-UHFFFAOYSA-N 0 0 240.686 3.772 10 0 BHAERN Cc1ccc(C(=O)C2CCCCC2)s1 ZINC000034976798 351368949 /nfs/dbraw/zinc/36/89/49/351368949.db2.gz OMKHAUIOEPKVQG-UHFFFAOYSA-N 0 0 208.326 3.820 10 0 BHAERN CCCC(=O)c1c[nH]c2c1cccc2CC ZINC000034976921 343282298 /nfs/dbraw/zinc/28/22/98/343282298.db2.gz VZASXAADIOFAII-UHFFFAOYSA-N 0 0 215.296 3.713 10 0 BHAERN CCc1cccc2c(C(=O)CC(C)C)c[nH]c21 ZINC000034976923 383822190 /nfs/dbraw/zinc/82/21/90/383822190.db2.gz SZQBPFWCZDCOGM-UHFFFAOYSA-N 0 0 229.323 3.959 10 0 BHAERN COc1ccc(C(=O)CC(C)C)cc1Cl ZINC000034977046 175054031 /nfs/dbraw/zinc/05/40/31/175054031.db2.gz ABKQJSHAGKRNRO-UHFFFAOYSA-N 0 0 226.703 3.577 10 0 BHAERN CCC(CC)C(=O)c1ccc(C)c(C)c1 ZINC000034977069 351369770 /nfs/dbraw/zinc/36/97/70/351369770.db2.gz JKQUPPZAAIGKMJ-UHFFFAOYSA-N 0 0 204.313 3.922 10 0 BHAERN Cc1ccc(C(=O)c2ccccc2F)cc1C ZINC000034977071 344326796 /nfs/dbraw/zinc/32/67/96/344326796.db2.gz VTQGYYVYBAYKHM-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN O=C(c1csc2ccccc12)C1CCC1 ZINC000034977079 351369959 /nfs/dbraw/zinc/36/99/59/351369959.db2.gz OSKYVJYFXYSIAL-UHFFFAOYSA-N 0 0 216.305 3.884 10 0 BHAERN Cc1cc(N)ccc1N[C@@H]1CCCC[C@@H]1C ZINC000034978359 178107594 /nfs/dbraw/zinc/10/75/94/178107594.db2.gz RDJQDRIIZVEHCI-GXFFZTMASA-N 0 0 218.344 3.568 10 0 BHAERN Cc1cc(N)ccc1N[C@H]1CCCC[C@@H]1C ZINC000034978361 178107014 /nfs/dbraw/zinc/10/70/14/178107014.db2.gz RDJQDRIIZVEHCI-GWCFXTLKSA-N 0 0 218.344 3.568 10 0 BHAERN Cc1cc(N)ccc1N[C@@H]1CCCC[C@H]1C ZINC000034978363 178107274 /nfs/dbraw/zinc/10/72/74/178107274.db2.gz RDJQDRIIZVEHCI-ZWNOBZJWSA-N 0 0 218.344 3.568 10 0 BHAERN Cc1cc(N)ccc1N[C@H]1CCCC[C@H]1C ZINC000034978365 178107571 /nfs/dbraw/zinc/10/75/71/178107571.db2.gz RDJQDRIIZVEHCI-MFKMUULPSA-N 0 0 218.344 3.568 10 0 BHAERN Cc1cc(N)ccc1Sc1ccccc1 ZINC000034978422 343142395 /nfs/dbraw/zinc/14/23/95/343142395.db2.gz DTGLFWPILMLNLT-UHFFFAOYSA-N 0 0 215.321 3.728 10 0 BHAERN c1ccc(CCNc2cccc3cnccc32)cc1 ZINC000035020918 183394667 /nfs/dbraw/zinc/39/46/67/183394667.db2.gz SEFUUWIUIITSPT-UHFFFAOYSA-N 0 0 248.329 3.889 10 0 BHAERN CCNc1ccc(SC(F)(F)F)cc1 ZINC000035036377 351387394 /nfs/dbraw/zinc/38/73/94/351387394.db2.gz NETKVHZGTPAISU-UHFFFAOYSA-N 0 0 221.247 3.730 10 0 BHAERN CCNc1cccc(-c2csc(C)n2)c1 ZINC000035037221 170174882 /nfs/dbraw/zinc/17/48/82/170174882.db2.gz SKTYHFJURQDZBG-UHFFFAOYSA-N 0 0 218.325 3.550 10 0 BHAERN CCCCCNc1ccc(C(=O)OC(C)C)cc1 ZINC000035037279 168723178 /nfs/dbraw/zinc/72/31/78/168723178.db2.gz FRHBKOKMTOWZMA-UHFFFAOYSA-N 0 0 249.354 3.854 10 0 BHAERN CC(C)CCNc1ccccc1N1CCCC1 ZINC000035037966 323396189 /nfs/dbraw/zinc/39/61/89/323396189.db2.gz MUZPGLLJIUXYDZ-UHFFFAOYSA-N 0 0 232.371 3.745 10 0 BHAERN Clc1csc(Nc2ccccc2)n1 ZINC000035049893 351422801 /nfs/dbraw/zinc/42/28/01/351422801.db2.gz GLCQDXAIQSLCAX-UHFFFAOYSA-N 0 0 210.689 3.540 10 0 BHAERN COc1ccc(Nc2nc(Cl)cs2)cc1 ZINC000035049895 175156448 /nfs/dbraw/zinc/15/64/48/175156448.db2.gz BRUSSYOVYPFRNM-UHFFFAOYSA-N 0 0 240.715 3.549 10 0 BHAERN Cc1ccc(Nc2nc(Cl)cs2)cc1 ZINC000035049896 178781859 /nfs/dbraw/zinc/78/18/59/178781859.db2.gz VLQZWCPPDYPJRJ-UHFFFAOYSA-N 0 0 224.716 3.849 10 0 BHAERN COc1cccc(Nc2nc(Cl)cs2)c1 ZINC000035049898 175280598 /nfs/dbraw/zinc/28/05/98/175280598.db2.gz IPVZNNIVNOHRCQ-UHFFFAOYSA-N 0 0 240.715 3.549 10 0 BHAERN CCc1cccc(OC)c1OCc1ccccc1 ZINC000035051387 342733740 /nfs/dbraw/zinc/73/37/40/342733740.db2.gz GXELWBDDOUFQLU-UHFFFAOYSA-N 0 0 242.318 3.837 10 0 BHAERN CCOc1ccccc1Nc1ccc(N)c(C)c1 ZINC000035056280 170596151 /nfs/dbraw/zinc/59/61/51/170596151.db2.gz HPKWGWRAPYYWHW-UHFFFAOYSA-N 0 0 242.322 3.720 10 0 BHAERN Cc1cccc(OCCCc2ccccc2)c1N ZINC000035056572 179166744 /nfs/dbraw/zinc/16/67/44/179166744.db2.gz RFYIQLMHHMALEK-UHFFFAOYSA-N 0 0 241.334 3.589 10 0 BHAERN Cc1ccc2nc(-c3c(N)cccc3F)oc2c1 ZINC000035057679 178972308 /nfs/dbraw/zinc/97/23/08/178972308.db2.gz HGMNXDBWYBZCEZ-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN Cc1cccc(OCc2cc(F)ccc2N)c1C ZINC000035057929 179172305 /nfs/dbraw/zinc/17/23/05/179172305.db2.gz ZLKHSQMJVSXYMP-UHFFFAOYSA-N 0 0 245.297 3.604 10 0 BHAERN Cc1cc(C)cc(OCc2cc(F)ccc2N)c1 ZINC000035057942 177913094 /nfs/dbraw/zinc/91/30/94/177913094.db2.gz NMUHGNAXBWHMGM-UHFFFAOYSA-N 0 0 245.297 3.604 10 0 BHAERN C[C@H](OCc1cc(F)ccc1N)c1ccccc1 ZINC000035057984 177022030 /nfs/dbraw/zinc/02/20/30/177022030.db2.gz NHUJOVIQOBBSGJ-NSHDSACASA-N 0 0 245.297 3.686 10 0 BHAERN C[C@@H](OCc1cc(F)ccc1N)c1ccccc1 ZINC000035057986 176003354 /nfs/dbraw/zinc/00/33/54/176003354.db2.gz NHUJOVIQOBBSGJ-LLVKDONJSA-N 0 0 245.297 3.686 10 0 BHAERN CCc1ccccc1OCc1cc(F)ccc1N ZINC000035058018 171891723 /nfs/dbraw/zinc/89/17/23/171891723.db2.gz KFBXOBVTOVWIOZ-UHFFFAOYSA-N 0 0 245.297 3.549 10 0 BHAERN C/C=C/COc1ccc(/C=C/C)cc1OC ZINC000035066331 187257138 /nfs/dbraw/zinc/25/71/38/187257138.db2.gz KRELTNOHJICPFJ-YDFGWWAZSA-N 0 0 218.296 3.683 10 0 BHAERN CCC[C@@H]1Sc2cc(Cl)ccc2NC1=O ZINC000035076929 169445077 /nfs/dbraw/zinc/44/50/77/169445077.db2.gz VGPBMFRRFGPGFW-VIFPVBQESA-N 0 0 241.743 3.553 10 0 BHAERN CC(=O)[C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000035079337 345848862 /nfs/dbraw/zinc/84/88/62/345848862.db2.gz GOTWWNKVRONWHC-MRXNPFEDSA-N 0 0 242.293 3.741 10 0 BHAERN CC(=O)[C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000035079339 345848967 /nfs/dbraw/zinc/84/89/67/345848967.db2.gz GOTWWNKVRONWHC-INIZCTEOSA-N 0 0 242.293 3.741 10 0 BHAERN CC(=O)c1ccc2ccccc2c1OC(C)C ZINC000035099852 166470626 /nfs/dbraw/zinc/47/06/26/166470626.db2.gz HVTJLDBAUPBTRK-UHFFFAOYSA-N 0 0 228.291 3.830 10 0 BHAERN CCCOc1c(C(C)=O)ccc2ccccc21 ZINC000035099854 169313380 /nfs/dbraw/zinc/31/33/80/169313380.db2.gz YKPKXVMLLNZFAL-UHFFFAOYSA-N 0 0 228.291 3.831 10 0 BHAERN CCCCC1CCC(C(=O)OCCC)CC1 ZINC000035101691 343284546 /nfs/dbraw/zinc/28/45/46/343284546.db2.gz IVUZMNWQHCGULH-UHFFFAOYSA-N 0 0 226.360 3.936 10 0 BHAERN CCCOC(=O)c1cc2c(s1)CCCCC2 ZINC000035101700 169300664 /nfs/dbraw/zinc/30/06/64/169300664.db2.gz GSKWNNYXWXAYAK-UHFFFAOYSA-N 0 0 238.352 3.584 10 0 BHAERN Cc1ccc(CNc2nncc3ccccc32)cc1 ZINC000035120990 178642861 /nfs/dbraw/zinc/64/28/61/178642861.db2.gz IEOADGDYWADNIB-UHFFFAOYSA-N 0 0 249.317 3.550 10 0 BHAERN c1ccc2c(c1)cnnc2NCC1CCCCC1 ZINC000035121044 183439339 /nfs/dbraw/zinc/43/93/39/183439339.db2.gz QQZFDMDKLXREHE-UHFFFAOYSA-N 0 0 241.338 3.622 10 0 BHAERN CCC(CC)Nc1nnc(C)c2ccccc21 ZINC000035121142 168395141 /nfs/dbraw/zinc/39/51/41/168395141.db2.gz XBSJIKHJHBBPFX-UHFFFAOYSA-N 0 0 229.327 3.539 10 0 BHAERN Cc1cc(NCC2CCCCC2)nc(C(C)C)n1 ZINC000035121263 178157684 /nfs/dbraw/zinc/15/76/84/178157684.db2.gz SPXITJQURKHFTP-UHFFFAOYSA-N 0 0 247.386 3.901 10 0 BHAERN Cc1cc(N[C@H]2CCCC[C@@H]2C)nc(C(C)C)n1 ZINC000035121360 178188521 /nfs/dbraw/zinc/18/85/21/178188521.db2.gz BEDDATZTIOTZQS-AAEUAGOBSA-N 0 0 247.386 3.899 10 0 BHAERN Cc1cc(N[C@H]2CCCC[C@H]2C)nc(C(C)C)n1 ZINC000035121362 178189049 /nfs/dbraw/zinc/18/90/49/178189049.db2.gz BEDDATZTIOTZQS-YPMHNXCESA-N 0 0 247.386 3.899 10 0 BHAERN Cc1cc(NC2CCC(C)CC2)nc(C(C)C)n1 ZINC000035121372 178155212 /nfs/dbraw/zinc/15/52/12/178155212.db2.gz PXFDOZCEWWFFJZ-UHFFFAOYSA-N 0 0 247.386 3.899 10 0 BHAERN CCC[C@@H](C)Nc1nnc(C)c2ccccc21 ZINC000035122089 169372634 /nfs/dbraw/zinc/37/26/34/169372634.db2.gz NMXLMMLSSLMRJY-SNVBAGLBSA-N 0 0 229.327 3.539 10 0 BHAERN CCC[C@H](C)Nc1nnc(C)c2ccccc21 ZINC000035122090 169494526 /nfs/dbraw/zinc/49/45/26/169494526.db2.gz NMXLMMLSSLMRJY-JTQLQIEISA-N 0 0 229.327 3.539 10 0 BHAERN C[C@H](Nc1ncc(Cl)cc1Cl)C1CC1 ZINC000035135035 387554230 /nfs/dbraw/zinc/55/42/30/387554230.db2.gz UFJHFKIBMOUFRR-LURJTMIESA-N 0 0 231.126 3.599 10 0 BHAERN C[C@@H](Nc1ncc(Cl)cc1Cl)C1CC1 ZINC000035135036 387555181 /nfs/dbraw/zinc/55/51/81/387555181.db2.gz UFJHFKIBMOUFRR-ZCFIWIBFSA-N 0 0 231.126 3.599 10 0 BHAERN Cc1cc(N[C@@H](C)c2ccco2)nc(C(C)C)n1 ZINC000035135141 178180502 /nfs/dbraw/zinc/18/05/02/178180502.db2.gz KNCCIWDJOSNBJL-NSHDSACASA-N 0 0 245.326 3.675 10 0 BHAERN Cc1cc(N[C@H](C)c2ccco2)nc(C(C)C)n1 ZINC000035135142 178187081 /nfs/dbraw/zinc/18/70/81/178187081.db2.gz KNCCIWDJOSNBJL-LLVKDONJSA-N 0 0 245.326 3.675 10 0 BHAERN C[C@H](Nc1ncccc1Cl)c1cccs1 ZINC000035149120 342884338 /nfs/dbraw/zinc/88/43/38/342884338.db2.gz FNVQVWAVLVMPJV-QMMMGPOBSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](Nc1ncccc1Cl)c1cccs1 ZINC000035149121 342884416 /nfs/dbraw/zinc/88/44/16/342884416.db2.gz FNVQVWAVLVMPJV-MRVPVSSYSA-N 0 0 238.743 3.970 10 0 BHAERN Cc1ccc(C)n1[C@@H](C)c1cccs1 ZINC000035149379 355855024 /nfs/dbraw/zinc/85/50/24/355855024.db2.gz HGRKFSJBQRHVDP-NSHDSACASA-N 0 0 205.326 3.776 10 0 BHAERN Cc1ccc(C)n1[C@H](C)c1cccs1 ZINC000035149380 355854736 /nfs/dbraw/zinc/85/47/36/355854736.db2.gz HGRKFSJBQRHVDP-LLVKDONJSA-N 0 0 205.326 3.776 10 0 BHAERN CC(C)c1ccccc1NC[C@H]1CCCCO1 ZINC000035150771 167641582 /nfs/dbraw/zinc/64/15/82/167641582.db2.gz CIPHQWAZWDDBHA-CYBMUJFWSA-N 0 0 233.355 3.791 10 0 BHAERN CC(C)c1cccc(NC[C@@H]2CCCCO2)c1 ZINC000035150879 167632989 /nfs/dbraw/zinc/63/29/89/167632989.db2.gz YGIAOGXZDKPNNE-HNNXBMFYSA-N 0 0 233.355 3.791 10 0 BHAERN CC(C)c1cccc(NC[C@H]2CCCCO2)c1 ZINC000035150880 167633622 /nfs/dbraw/zinc/63/36/22/167633622.db2.gz YGIAOGXZDKPNNE-OAHLLOKOSA-N 0 0 233.355 3.791 10 0 BHAERN CCN(CC)C(=O)/C=C\c1ccc(C(C)C)cc1 ZINC000035154998 169743864 /nfs/dbraw/zinc/74/38/64/169743864.db2.gz DIRGUZCNQBSSPU-XFXZXTDPSA-N 0 0 245.366 3.692 10 0 BHAERN CCCCSc1ccc(C(C)=O)cc1F ZINC000035164267 343287640 /nfs/dbraw/zinc/28/76/40/343287640.db2.gz LRKHGIQLQQVRJZ-UHFFFAOYSA-N 0 0 226.316 3.921 10 0 BHAERN CCc1cccc(OCC(=O)c2cccs2)c1 ZINC000035181668 171865169 /nfs/dbraw/zinc/86/51/69/171865169.db2.gz WUKAKCMVTQTDSX-UHFFFAOYSA-N 0 0 246.331 3.572 10 0 BHAERN CCc1cccc(OCC(=O)c2ccccc2)c1 ZINC000035181680 171864555 /nfs/dbraw/zinc/86/45/55/171864555.db2.gz TVZMXMFXKHOJRO-UHFFFAOYSA-N 0 0 240.302 3.511 10 0 BHAERN CC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1C ZINC000035181689 188284681 /nfs/dbraw/zinc/28/46/81/188284681.db2.gz ALMKQICXFCVFHV-LBPRGKRZSA-N 0 0 234.339 3.649 10 0 BHAERN CC(C)c1ccc(OCC(=O)C(C)(C)C)cc1 ZINC000035181875 167608751 /nfs/dbraw/zinc/60/87/51/167608751.db2.gz VRXSBTFKTYUNAB-UHFFFAOYSA-N 0 0 234.339 3.804 10 0 BHAERN O=C1CCC[C@H]1Sc1ccccc1Cl ZINC000035182230 355874704 /nfs/dbraw/zinc/87/47/04/355874704.db2.gz QFJQEAITVIYAPP-LLVKDONJSA-N 0 0 226.728 3.554 10 0 BHAERN O=C1CCC[C@@H]1Sc1ccccc1Cl ZINC000035182231 355874951 /nfs/dbraw/zinc/87/49/51/355874951.db2.gz QFJQEAITVIYAPP-NSHDSACASA-N 0 0 226.728 3.554 10 0 BHAERN CC[C@H](C)SCC(=O)c1c[nH]c2ccccc21 ZINC000035182582 171357214 /nfs/dbraw/zinc/35/72/14/171357214.db2.gz UGGQSGBCVYTMMR-JTQLQIEISA-N 0 0 247.363 3.882 10 0 BHAERN C[C@H](SCc1ccco1)C(=O)c1ccccc1 ZINC000035183417 177027812 /nfs/dbraw/zinc/02/78/12/177027812.db2.gz VKRXTPYITNFMLU-NSHDSACASA-N 0 0 246.331 3.784 10 0 BHAERN C[C@@H](SCc1ccco1)C(=O)c1ccccc1 ZINC000035183418 176009082 /nfs/dbraw/zinc/00/90/82/176009082.db2.gz VKRXTPYITNFMLU-LLVKDONJSA-N 0 0 246.331 3.784 10 0 BHAERN O=C1CCC[C@H]1Sc1ccc(Cl)cc1 ZINC000035183622 355875538 /nfs/dbraw/zinc/87/55/38/355875538.db2.gz SCTFSZOIJLCWJU-LLVKDONJSA-N 0 0 226.728 3.554 10 0 BHAERN O=C1CCC[C@@H]1Sc1ccc(Cl)cc1 ZINC000035183623 355875838 /nfs/dbraw/zinc/87/58/38/355875838.db2.gz SCTFSZOIJLCWJU-NSHDSACASA-N 0 0 226.728 3.554 10 0 BHAERN Cc1ccc(C(=O)COc2cccc(C)c2)cc1 ZINC000035183743 178373874 /nfs/dbraw/zinc/37/38/74/178373874.db2.gz WYIRNUGNIBUAMS-UHFFFAOYSA-N 0 0 240.302 3.565 10 0 BHAERN O=C(COc1ccccc1)c1ccccc1Cl ZINC000035183893 182002674 /nfs/dbraw/zinc/00/26/74/182002674.db2.gz CIRXSIVDJGEJEQ-UHFFFAOYSA-N 0 0 246.693 3.602 10 0 BHAERN Cc1ccc(C)c(C(=O)COc2ccccc2)c1 ZINC000035183894 355876849 /nfs/dbraw/zinc/87/68/49/355876849.db2.gz IVXMJNFHRIFJQJ-UHFFFAOYSA-N 0 0 240.302 3.565 10 0 BHAERN CCc1ccc(C(=O)COc2ccccc2)cc1 ZINC000035183895 343288643 /nfs/dbraw/zinc/28/86/43/343288643.db2.gz ILTROICQYXPCDU-UHFFFAOYSA-N 0 0 240.302 3.511 10 0 BHAERN Cc1ccc(C(=O)COc2ccccc2)c(C)c1 ZINC000035183912 178372879 /nfs/dbraw/zinc/37/28/79/178372879.db2.gz ZNZUTBJNQGRXJL-UHFFFAOYSA-N 0 0 240.302 3.565 10 0 BHAERN Cc1ccc(C(=O)COc2ccccc2)cc1C ZINC000035183927 355876511 /nfs/dbraw/zinc/87/65/11/355876511.db2.gz LOEPPKIPULQWGM-UHFFFAOYSA-N 0 0 240.302 3.565 10 0 BHAERN O=C(COc1ccccc1)c1cccc(Cl)c1 ZINC000035183928 355877037 /nfs/dbraw/zinc/87/70/37/355877037.db2.gz FGHGKNCABKVOCF-UHFFFAOYSA-N 0 0 246.693 3.602 10 0 BHAERN Cc1cccc(OCC(=O)c2ccccc2)c1C ZINC000035184365 179162795 /nfs/dbraw/zinc/16/27/95/179162795.db2.gz VYYQBCLDAWHNOK-UHFFFAOYSA-N 0 0 240.302 3.565 10 0 BHAERN CC(C)(C)C(=O)COc1cccc(C(C)(C)C)c1 ZINC000035184378 166522613 /nfs/dbraw/zinc/52/26/13/166522613.db2.gz QEFATHRUQHEQNL-UHFFFAOYSA-N 0 0 248.366 3.978 10 0 BHAERN Cc1ccc(SCC(=O)c2ccco2)cc1C ZINC000035184451 187258035 /nfs/dbraw/zinc/25/80/35/187258035.db2.gz RMUNQVWOHCGINI-UHFFFAOYSA-N 0 0 246.331 3.871 10 0 BHAERN Cc1ccc(S[C@@H]2CCCC2=O)cc1C ZINC000035184461 343288571 /nfs/dbraw/zinc/28/85/71/343288571.db2.gz JEALZOIOOMMUAI-CYBMUJFWSA-N 0 0 220.337 3.517 10 0 BHAERN Cc1ccc(S[C@H]2CCCC2=O)cc1C ZINC000035184462 355874759 /nfs/dbraw/zinc/87/47/59/355874759.db2.gz JEALZOIOOMMUAI-ZDUSSCGKSA-N 0 0 220.337 3.517 10 0 BHAERN Cc1ccc(C)c(SCC(=O)c2ccco2)c1 ZINC000035184522 178493389 /nfs/dbraw/zinc/49/33/89/178493389.db2.gz MHEZHOWGZBPZCE-UHFFFAOYSA-N 0 0 246.331 3.871 10 0 BHAERN Cc1ccc(C)c(S[C@@H]2CCCC2=O)c1 ZINC000035184532 355874928 /nfs/dbraw/zinc/87/49/28/355874928.db2.gz ZAQVGYXDLXLXDS-GFCCVEGCSA-N 0 0 220.337 3.517 10 0 BHAERN Cc1ccc(C)c(S[C@H]2CCCC2=O)c1 ZINC000035184533 355875174 /nfs/dbraw/zinc/87/51/74/355875174.db2.gz ZAQVGYXDLXLXDS-LBPRGKRZSA-N 0 0 220.337 3.517 10 0 BHAERN Cc1ccc(S[C@@H]2CCCC2=O)c(C)c1 ZINC000035184605 355875125 /nfs/dbraw/zinc/87/51/25/355875125.db2.gz LBLLHUKSGPDTMV-CYBMUJFWSA-N 0 0 220.337 3.517 10 0 BHAERN Cc1ccc(S[C@H]2CCCC2=O)c(C)c1 ZINC000035184606 355875011 /nfs/dbraw/zinc/87/50/11/355875011.db2.gz LBLLHUKSGPDTMV-ZDUSSCGKSA-N 0 0 220.337 3.517 10 0 BHAERN CC(=O)c1cc(C)ccc1OCc1cccs1 ZINC000035205717 166444097 /nfs/dbraw/zinc/44/40/97/166444097.db2.gz YJELRPXAHYKBGV-UHFFFAOYSA-N 0 0 246.331 3.838 10 0 BHAERN Clc1cc(Cl)c(Cl)c2c1NCC2 ZINC000035219702 356419748 /nfs/dbraw/zinc/41/97/48/356419748.db2.gz ZRTHCQOCFWMGTJ-UHFFFAOYSA-N 0 0 222.502 3.615 10 0 BHAERN Cc1cccc(C)c1OCC(=O)c1ccccc1 ZINC000035224932 343290577 /nfs/dbraw/zinc/29/05/77/343290577.db2.gz GMNZOSUZPOCTCT-UHFFFAOYSA-N 0 0 240.302 3.565 10 0 BHAERN Cc1cc(NCC2CCCC2)nc(C(C)C)n1 ZINC000035234436 178158441 /nfs/dbraw/zinc/15/84/41/178158441.db2.gz TZGYJGGPJXKJAP-UHFFFAOYSA-N 0 0 233.359 3.511 10 0 BHAERN CC[C@@H]1CCCN(c2ccc(C(C)=O)cc2)C1 ZINC000035239397 132338002 /nfs/dbraw/zinc/33/80/02/132338002.db2.gz HXHKDQIKDLJGNC-CYBMUJFWSA-N 0 0 231.339 3.516 10 0 BHAERN CC[C@H]1CCCN(c2ccc(C(C)=O)cc2)C1 ZINC000035239399 132337832 /nfs/dbraw/zinc/33/78/32/132337832.db2.gz HXHKDQIKDLJGNC-ZDUSSCGKSA-N 0 0 231.339 3.516 10 0 BHAERN CCOC(=O)/C=C(\C)c1ccc2c(c1)CCCC2 ZINC000035242353 345848320 /nfs/dbraw/zinc/84/83/20/345848320.db2.gz HYUCLFRVFGKKKP-ZRDIBKRKSA-N 0 0 244.334 3.532 10 0 BHAERN c1cc(-c2ccncc2)c2cccccc1-2 ZINC000035242781 183458932 /nfs/dbraw/zinc/45/89/32/183458932.db2.gz FXEZCEGDDXVGBE-UHFFFAOYSA-N 0 0 205.260 3.853 10 0 BHAERN COc1cccc(-c2ccc(C)cc2)c1F ZINC000035243871 646118385 /nfs/dbraw/zinc/11/83/85/646118385.db2.gz NFPCZNIQYUWXSS-UHFFFAOYSA-N 0 0 216.255 3.810 10 0 BHAERN CCOC(=O)c1cccc([C@H]2C=CCCC2)c1 ZINC000035259227 345847095 /nfs/dbraw/zinc/84/70/95/345847095.db2.gz IZNQWXGUSVTZPJ-LBPRGKRZSA-N 0 0 230.307 3.687 10 0 BHAERN CCOC(=O)c1cccc([C@@H]2C=CCCC2)c1 ZINC000035259228 345847397 /nfs/dbraw/zinc/84/73/97/345847397.db2.gz IZNQWXGUSVTZPJ-GFCCVEGCSA-N 0 0 230.307 3.687 10 0 BHAERN CCOC(=O)c1cccc(C2=CCCCC2)c1 ZINC000035259243 345847469 /nfs/dbraw/zinc/84/74/69/345847469.db2.gz CPGHTWFGBPABKU-UHFFFAOYSA-N 0 0 230.307 3.821 10 0 BHAERN CCOC(=O)c1cccc(C2CCCC2)c1 ZINC000035259244 356451695 /nfs/dbraw/zinc/45/16/95/356451695.db2.gz KMNZBBQMIDTINA-UHFFFAOYSA-N 0 0 218.296 3.521 10 0 BHAERN O=Cc1cccc(C2=CCCCCC2)c1 ZINC000035259246 350172554 /nfs/dbraw/zinc/17/25/54/350172554.db2.gz SNOZHYHPINKGAJ-UHFFFAOYSA-N 0 0 200.281 3.847 10 0 BHAERN COc1cc(N)cc(-c2ccc(Cl)cc2)c1 ZINC000035259255 345847098 /nfs/dbraw/zinc/84/70/98/345847098.db2.gz FWPLRSMKYCPLGV-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN CC(C)(C)n1nc(-c2ccccc2Cl)cc1N ZINC000035277067 187258469 /nfs/dbraw/zinc/25/84/69/187258469.db2.gz BCRXTGRZJMFUNR-UHFFFAOYSA-N 0 0 249.745 3.541 10 0 BHAERN Cc1cc(NCc2ccc(Cl)cc2)ccc1N ZINC000035277586 178171162 /nfs/dbraw/zinc/17/11/62/178171162.db2.gz CGCAPZAQUNBMPS-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1cc(N[C@@H](C)c2ccccc2)ccc1N ZINC000035277656 178178570 /nfs/dbraw/zinc/17/85/70/178178570.db2.gz FJSHMDUQXOLXNH-LBPRGKRZSA-N 0 0 226.323 3.750 10 0 BHAERN Cc1cc(N[C@H](C)c2ccccc2)ccc1N ZINC000035277658 178187950 /nfs/dbraw/zinc/18/79/50/178187950.db2.gz FJSHMDUQXOLXNH-GFCCVEGCSA-N 0 0 226.323 3.750 10 0 BHAERN Cc1cc(NCc2ccccc2Cl)ccc1N ZINC000035277708 178173850 /nfs/dbraw/zinc/17/38/50/178173850.db2.gz PCLPCZVHGNNPEY-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1cc(Nc2cccc3cccnc32)ccc1N ZINC000035277912 178193587 /nfs/dbraw/zinc/19/35/87/178193587.db2.gz KWBVQOQZBAWAOI-UHFFFAOYSA-N 0 0 249.317 3.869 10 0 BHAERN Cc1cc(Nc2cc(F)ccc2F)ccc1N ZINC000035277971 178191362 /nfs/dbraw/zinc/19/13/62/178191362.db2.gz RWCUYJZFSSLURY-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Cc1cc(Nc2ccc(F)c(F)c2)ccc1N ZINC000035278045 178192584 /nfs/dbraw/zinc/19/25/84/178192584.db2.gz LEBLSDDZAYDVKI-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Cc1cc(Nc2ccc(F)cc2F)ccc1N ZINC000035278086 178192570 /nfs/dbraw/zinc/19/25/70/178192570.db2.gz GBUKVXFDZFBBIC-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Cc1ccc(F)cc1Nc1ccc(N)c(C)c1 ZINC000035278091 178192324 /nfs/dbraw/zinc/19/23/24/178192324.db2.gz CGVOXPZVZNKTAV-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1ccc(Nc2ccc(N)c(C)c2)cc1F ZINC000035278097 178191969 /nfs/dbraw/zinc/19/19/69/178191969.db2.gz OLMKHMGHLJORPZ-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN CCc1ccccc1Nc1ccc(N)c(C)c1 ZINC000035278101 171890528 /nfs/dbraw/zinc/89/05/28/171890528.db2.gz YRCRWNOBPMYTDE-UHFFFAOYSA-N 0 0 226.323 3.883 10 0 BHAERN Cc1cc(Nc2ccc(F)cc2C)ccc1N ZINC000035278103 178191956 /nfs/dbraw/zinc/19/19/56/178191956.db2.gz DOMCKGIYQAYNQO-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1cc(Nc2cc(F)cc(F)c2)ccc1N ZINC000035278105 178191701 /nfs/dbraw/zinc/19/17/01/178191701.db2.gz UWVYUENRPYQHEI-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Cc1cccc(Nc2ccc(N)c(C)c2)c1C ZINC000035278112 178191932 /nfs/dbraw/zinc/19/19/32/178191932.db2.gz GSSZFVVWMLUGFR-UHFFFAOYSA-N 0 0 226.323 3.938 10 0 BHAERN Cc1cc(Nc2c(F)cccc2F)ccc1N ZINC000035278146 178191880 /nfs/dbraw/zinc/19/18/80/178191880.db2.gz VONWDELHZSFIPB-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Cc1cccc(C)c1Oc1ccc(N)c(C)c1 ZINC000035278336 178214012 /nfs/dbraw/zinc/21/40/12/178214012.db2.gz FKUNGHWLRNHUHJ-UHFFFAOYSA-N 0 0 227.307 3.986 10 0 BHAERN CC[C@H]1CCCC[C@@H]1Oc1ccc(N)c(C)c1 ZINC000035278388 171610068 /nfs/dbraw/zinc/61/00/68/171610068.db2.gz HXRSGABCOBDWCD-WFASDCNBSA-N 0 0 233.355 3.925 10 0 BHAERN CCc1cccc(Oc2ccc(N)c(C)c2)c1 ZINC000035278448 171866981 /nfs/dbraw/zinc/86/69/81/171866981.db2.gz JFQXIZXNNFYZCM-UHFFFAOYSA-N 0 0 227.307 3.932 10 0 BHAERN COc1cccc(Sc2ccc(N)c(C)c2)c1 ZINC000035278555 175285812 /nfs/dbraw/zinc/28/58/12/175285812.db2.gz DQVBZENNXJZKIM-UHFFFAOYSA-N 0 0 245.347 3.737 10 0 BHAERN Cc1cc(Sc2cccs2)ccc1N ZINC000035278630 356467853 /nfs/dbraw/zinc/46/78/53/356467853.db2.gz AUJUUIYGJMMLHK-UHFFFAOYSA-N 0 0 221.350 3.790 10 0 BHAERN Cc1cccc(OCc2ccccc2Cl)c1N ZINC000035283608 187258435 /nfs/dbraw/zinc/25/84/35/187258435.db2.gz JHCKLMSBRCGJJG-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN Cc1cccc(OCc2cccc(Cl)c2)c1N ZINC000035283610 187258460 /nfs/dbraw/zinc/25/84/60/187258460.db2.gz ZTHJMPMKOSQMBN-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN CC[C@@H](C)Nc1cc(Cl)ccc1F ZINC000035284147 356475041 /nfs/dbraw/zinc/47/50/41/356475041.db2.gz JSOXJKQHCJUDAY-SSDOTTSWSA-N 0 0 201.672 3.690 10 0 BHAERN CC[C@H](C)Nc1cc(Cl)ccc1F ZINC000035284149 356474853 /nfs/dbraw/zinc/47/48/53/356474853.db2.gz JSOXJKQHCJUDAY-ZETCQYMHSA-N 0 0 201.672 3.690 10 0 BHAERN O=Cc1ccc(-c2cc(Cl)ccc2F)o1 ZINC000035284911 356473834 /nfs/dbraw/zinc/47/38/34/356473834.db2.gz PGQDJAVKEIHGCH-UHFFFAOYSA-N 0 0 224.618 3.552 10 0 BHAERN C[C@H](NCC(F)(F)F)c1ccc(Cl)s1 ZINC000035285590 384406029 /nfs/dbraw/zinc/40/60/29/384406029.db2.gz NBPUVWZDDHEFCS-YFKPBYRVSA-N 0 0 243.681 3.614 10 0 BHAERN C[C@@H](NCC(F)(F)F)c1ccc(Cl)s1 ZINC000035285591 384124101 /nfs/dbraw/zinc/12/41/01/384124101.db2.gz NBPUVWZDDHEFCS-RXMQYKEDSA-N 0 0 243.681 3.614 10 0 BHAERN O[C@H]1CCCc2cc(-c3cccc(F)c3)ccc21 ZINC000035286192 345849354 /nfs/dbraw/zinc/84/93/54/345849354.db2.gz SVWXITHWMRGINJ-INIZCTEOSA-N 0 0 242.293 3.862 10 0 BHAERN O[C@@H]1CCCc2cc(-c3cccc(F)c3)ccc21 ZINC000035286194 345849034 /nfs/dbraw/zinc/84/90/34/345849034.db2.gz SVWXITHWMRGINJ-MRXNPFEDSA-N 0 0 242.293 3.862 10 0 BHAERN CCc1cccc(C)c1NC1=NC(C)(C)CS1 ZINC000035294315 171853796 /nfs/dbraw/zinc/85/37/96/171853796.db2.gz RTCVORRCXQGRGQ-UHFFFAOYSA-N 0 0 248.395 3.851 10 0 BHAERN Oc1ccc(/C=C/c2ccc(F)cc2)cc1 ZINC000035304046 345849931 /nfs/dbraw/zinc/84/99/31/345849931.db2.gz LPMFUPCYHDHQGC-OWOJBTEDSA-N 0 0 214.239 3.702 10 0 BHAERN CC1CCC(OCc2cc(F)ccc2N)CC1 ZINC000035308767 168168655 /nfs/dbraw/zinc/16/86/55/168168655.db2.gz PCALIFSCVOPDKY-UHFFFAOYSA-N 0 0 237.318 3.503 10 0 BHAERN C[C@@H]1CCCC[C@@H]1OCc1cc(F)ccc1N ZINC000035308777 176082956 /nfs/dbraw/zinc/08/29/56/176082956.db2.gz FCZSLAKTCQXQCC-YGRLFVJLSA-N 0 0 237.318 3.503 10 0 BHAERN C[C@H]1CCCC[C@@H]1OCc1cc(F)ccc1N ZINC000035308779 177084760 /nfs/dbraw/zinc/08/47/60/177084760.db2.gz FCZSLAKTCQXQCC-HZMBPMFUSA-N 0 0 237.318 3.503 10 0 BHAERN C[C@@H]1CCCC[C@H]1OCc1cc(F)ccc1N ZINC000035308781 176090422 /nfs/dbraw/zinc/09/04/22/176090422.db2.gz FCZSLAKTCQXQCC-QMTHXVAHSA-N 0 0 237.318 3.503 10 0 BHAERN C[C@H]1CCCC[C@H]1OCc1cc(F)ccc1N ZINC000035308783 177090365 /nfs/dbraw/zinc/09/03/65/177090365.db2.gz FCZSLAKTCQXQCC-IINYFYTJSA-N 0 0 237.318 3.503 10 0 BHAERN C[C@@H]1CCC[C@H](OCc2cc(F)ccc2N)C1 ZINC000035308846 176146418 /nfs/dbraw/zinc/14/64/18/176146418.db2.gz YDSCKBHAOAJFPK-MFKMUULPSA-N 0 0 237.318 3.503 10 0 BHAERN C[C@H]1CCC[C@H](OCc2cc(F)ccc2N)C1 ZINC000035308848 177138207 /nfs/dbraw/zinc/13/82/07/177138207.db2.gz YDSCKBHAOAJFPK-GWCFXTLKSA-N 0 0 237.318 3.503 10 0 BHAERN C[C@@H]1CCC[C@@H](OCc2cc(F)ccc2N)C1 ZINC000035308850 176125502 /nfs/dbraw/zinc/12/55/02/176125502.db2.gz YDSCKBHAOAJFPK-ZWNOBZJWSA-N 0 0 237.318 3.503 10 0 BHAERN C[C@H]1CCC[C@@H](OCc2cc(F)ccc2N)C1 ZINC000035308852 187257882 /nfs/dbraw/zinc/25/78/82/187257882.db2.gz YDSCKBHAOAJFPK-GXFFZTMASA-N 0 0 237.318 3.503 10 0 BHAERN Nc1ccc(F)cc1CSCc1ccccc1 ZINC000035308900 181711793 /nfs/dbraw/zinc/71/17/93/181711793.db2.gz QYHKZWIYXMHXFA-UHFFFAOYSA-N 0 0 247.338 3.841 10 0 BHAERN Clc1ccc(-c2nccs2)s1 ZINC000035323397 357127392 /nfs/dbraw/zinc/12/73/92/357127392.db2.gz AVHOLWFTOICMCV-UHFFFAOYSA-N 0 0 201.703 3.525 10 0 BHAERN COc1ccc2[nH]cc(-c3ccccc3)c2c1 ZINC000035331423 175201929 /nfs/dbraw/zinc/20/19/29/175201929.db2.gz HECFLCMJQQSTOE-UHFFFAOYSA-N 0 0 223.275 3.844 10 0 BHAERN FC(F)(F)c1ccccc1-c1cccnc1 ZINC000035331697 384681349 /nfs/dbraw/zinc/68/13/49/384681349.db2.gz XDVUCWCOIVGBRS-UHFFFAOYSA-N 0 0 223.197 3.767 10 0 BHAERN Cc1cccc(Nc2ccc(N)c3cnccc23)c1 ZINC000035332832 179158851 /nfs/dbraw/zinc/15/88/51/179158851.db2.gz AJKKKEDDFGYISE-UHFFFAOYSA-N 0 0 249.317 3.869 10 0 BHAERN Cc1ccccc1Nc1ccc(N)c2cnccc12 ZINC000035332842 179308192 /nfs/dbraw/zinc/30/81/92/179308192.db2.gz FUOULJOWUJSWQG-UHFFFAOYSA-N 0 0 249.317 3.869 10 0 BHAERN CC[C@H](C)Sc1ccc(N)c2cnccc12 ZINC000035333332 171357232 /nfs/dbraw/zinc/35/72/32/171357232.db2.gz JZUFFLMNCYRWFU-VIFPVBQESA-N 0 0 232.352 3.708 10 0 BHAERN CC(C)CSc1ccc(N)c2cnccc12 ZINC000035333348 187258498 /nfs/dbraw/zinc/25/84/98/187258498.db2.gz BTCBXUBGSTVLKK-UHFFFAOYSA-N 0 0 232.352 3.565 10 0 BHAERN Cc1ccccc1Nc1ccc(N)c2ncccc12 ZINC000035340727 179308273 /nfs/dbraw/zinc/30/82/73/179308273.db2.gz VCTRPAJEZRMHSS-UHFFFAOYSA-N 0 0 249.317 3.869 10 0 BHAERN CN(c1ccccc1)c1ccc(N)c2cccnc21 ZINC000035341747 172949725 /nfs/dbraw/zinc/94/97/25/172949725.db2.gz QLRGGRWROIFAJA-UHFFFAOYSA-N 0 0 249.317 3.585 10 0 BHAERN Cc1nc2cc(NC3CCCC3)c(N)cc2s1 ZINC000035342434 180081593 /nfs/dbraw/zinc/08/15/93/180081593.db2.gz TWCZXFURNUDLJT-UHFFFAOYSA-N 0 0 247.367 3.541 10 0 BHAERN CCC(CC)Nc1cc2nc(C)sc2cc1N ZINC000035342435 168393667 /nfs/dbraw/zinc/39/36/67/168393667.db2.gz ZMJYTDBVJVMIJU-UHFFFAOYSA-N 0 0 249.383 3.787 10 0 BHAERN CCC[C@@H](C)Nc1cc2nc(C)sc2cc1N ZINC000035342446 169371358 /nfs/dbraw/zinc/37/13/58/169371358.db2.gz IRLLGGSGLDOBNS-MRVPVSSYSA-N 0 0 249.383 3.787 10 0 BHAERN CCCCCNc1cc2nc(C)sc2cc1N ZINC000035342455 168723064 /nfs/dbraw/zinc/72/30/64/168723064.db2.gz LXBPBXDLCLADRK-UHFFFAOYSA-N 0 0 249.383 3.789 10 0 BHAERN Cc1nc2cc(NCCC(C)C)c(N)cc2s1 ZINC000035342459 180084284 /nfs/dbraw/zinc/08/42/84/180084284.db2.gz LTSSMCMQPVOPIW-UHFFFAOYSA-N 0 0 249.383 3.645 10 0 BHAERN Cc1nc2cc(N[C@@H](C)C(C)C)c(N)cc2s1 ZINC000035342525 180083266 /nfs/dbraw/zinc/08/32/66/180083266.db2.gz LPWGEZMBZMUABD-QMMMGPOBSA-N 0 0 249.383 3.643 10 0 BHAERN Cc1nc2cc(N[C@H](C)C(C)C)c(N)cc2s1 ZINC000035342526 180084182 /nfs/dbraw/zinc/08/41/82/180084182.db2.gz LPWGEZMBZMUABD-MRVPVSSYSA-N 0 0 249.383 3.643 10 0 BHAERN CCC(C)(C)Nc1cc2nc(C)sc2cc1N ZINC000035342532 168302820 /nfs/dbraw/zinc/30/28/20/168302820.db2.gz BSXVELAGVIHSBV-UHFFFAOYSA-N 0 0 249.383 3.787 10 0 BHAERN Cc1nc2cc(OC3CCCC3)c(N)cc2s1 ZINC000035342772 180083082 /nfs/dbraw/zinc/08/30/82/180083082.db2.gz AAMQHMDKUITINL-UHFFFAOYSA-N 0 0 248.351 3.508 10 0 BHAERN CCCSc1cc2nc(C)sc2cc1N ZINC000035343083 169341440 /nfs/dbraw/zinc/34/14/40/169341440.db2.gz QQIYNPCXQWUNPL-UHFFFAOYSA-N 0 0 238.381 3.689 10 0 BHAERN CCCN(CCC)c1ccc2scnc2c1N ZINC000035344147 169154569 /nfs/dbraw/zinc/15/45/69/169154569.db2.gz BNNCOTTXCDMRFZ-UHFFFAOYSA-N 0 0 249.383 3.505 10 0 BHAERN CCCN(c1ccc2scnc2c1N)C(C)C ZINC000035344651 169182950 /nfs/dbraw/zinc/18/29/50/169182950.db2.gz VYAHMAJUBBZNKN-UHFFFAOYSA-N 0 0 249.383 3.503 10 0 BHAERN CC[C@H](C)N(CC)c1ccc2scnc2c1N ZINC000035344685 171311653 /nfs/dbraw/zinc/31/16/53/171311653.db2.gz ZLJUOBKESIPCNU-VIFPVBQESA-N 0 0 249.383 3.503 10 0 BHAERN CC(C)C[C@@H](C)Nc1ccc2scnc2c1N ZINC000035344716 188467581 /nfs/dbraw/zinc/46/75/81/188467581.db2.gz VLHHBBBWBDLIBI-SECBINFHSA-N 0 0 249.383 3.725 10 0 BHAERN CC(C)C[C@H](C)Nc1ccc2scnc2c1N ZINC000035344718 187258409 /nfs/dbraw/zinc/25/84/09/187258409.db2.gz VLHHBBBWBDLIBI-VIFPVBQESA-N 0 0 249.383 3.725 10 0 BHAERN Nc1c2ncsc2ccc1Oc1ccccc1 ZINC000035344826 181670680 /nfs/dbraw/zinc/67/06/80/181670680.db2.gz PMLCCOQPFWYMKC-UHFFFAOYSA-N 0 0 242.303 3.671 10 0 BHAERN CC(C)(C)Sc1ccc2scnc2c1N ZINC000035345054 166691854 /nfs/dbraw/zinc/69/18/54/166691854.db2.gz UPJKQUGPOYKFNJ-UHFFFAOYSA-N 0 0 238.381 3.769 10 0 BHAERN Cc1cc(C(=O)c2cc(C)ccc2C)c(C)o1 ZINC000035368422 178468742 /nfs/dbraw/zinc/46/87/42/178468742.db2.gz BZMFCTPGWPDRQB-UHFFFAOYSA-N 0 0 228.291 3.744 10 0 BHAERN CC(C)(C)c1ccc(C(=O)c2ccoc2)cc1 ZINC000035368595 188285558 /nfs/dbraw/zinc/28/55/58/188285558.db2.gz UZEDVAFYWHFXHT-UHFFFAOYSA-N 0 0 228.291 3.808 10 0 BHAERN CCCCc1ccc(C(=O)c2ccoc2)cc1 ZINC000035368639 169021171 /nfs/dbraw/zinc/02/11/71/169021171.db2.gz LVNAQPYSOXMNKJ-UHFFFAOYSA-N 0 0 228.291 3.853 10 0 BHAERN CCCc1ccc(C(=O)c2occc2C)cc1 ZINC000035368696 169570675 /nfs/dbraw/zinc/57/06/75/169570675.db2.gz UKMKTVYVYSORFB-UHFFFAOYSA-N 0 0 228.291 3.772 10 0 BHAERN CCCc1ccc(C(=O)c2ccoc2C)cc1 ZINC000035368697 169570977 /nfs/dbraw/zinc/57/09/77/169570977.db2.gz CTTFBAJIHJVADU-UHFFFAOYSA-N 0 0 228.291 3.772 10 0 BHAERN CC(C)Cc1ccc(C(=O)c2ccco2)cc1 ZINC000035368737 188285579 /nfs/dbraw/zinc/28/55/79/188285579.db2.gz RDUUSXAJJGCTJU-UHFFFAOYSA-N 0 0 228.291 3.709 10 0 BHAERN Cc1ccsc1C(=O)c1ccc(Cl)cc1 ZINC000035368794 357197385 /nfs/dbraw/zinc/19/73/85/357197385.db2.gz PPDSWJLKZYQOCS-UHFFFAOYSA-N 0 0 236.723 3.941 10 0 BHAERN CCc1ccc(C(=O)c2ccsc2)cc1 ZINC000035368822 357197167 /nfs/dbraw/zinc/19/71/67/357197167.db2.gz KSCRNAHRTMDBCE-UHFFFAOYSA-N 0 0 216.305 3.542 10 0 BHAERN O=C(c1cccs1)c1cc2c(s1)CCC2 ZINC000035368961 357197283 /nfs/dbraw/zinc/19/72/83/357197283.db2.gz RMVQDWXLIBQEPE-UHFFFAOYSA-N 0 0 234.345 3.529 10 0 BHAERN Cc1ccsc1C(=O)c1ccc(C)cc1 ZINC000035368984 357197364 /nfs/dbraw/zinc/19/73/64/357197364.db2.gz LWSXYZAORDNPKN-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN Cc1ccc(C(=O)c2cc3c(s2)CCC3)cc1 ZINC000035368985 178446274 /nfs/dbraw/zinc/44/62/74/178446274.db2.gz XEFPRINTXDGARL-UHFFFAOYSA-N 0 0 242.343 3.776 10 0 BHAERN CCc1ccc(C(=O)c2cccs2)s1 ZINC000035369014 357197098 /nfs/dbraw/zinc/19/70/98/357197098.db2.gz VVBBBOSFQGMEOP-UHFFFAOYSA-N 0 0 222.334 3.603 10 0 BHAERN Cc1ccc(C(=O)c2ccc(Cl)s2)o1 ZINC000035369020 357197268 /nfs/dbraw/zinc/19/72/68/357197268.db2.gz CHYKSXTYVJWNHA-UHFFFAOYSA-N 0 0 226.684 3.534 10 0 BHAERN Cc1cc(C(=O)c2ccc(Cl)s2)c(C)o1 ZINC000035369021 357197355 /nfs/dbraw/zinc/19/73/55/357197355.db2.gz IDEHGLHSGWTORW-UHFFFAOYSA-N 0 0 240.711 3.842 10 0 BHAERN Cc1ccoc1C(=O)c1ccc(Cl)s1 ZINC000035369027 357197112 /nfs/dbraw/zinc/19/71/12/357197112.db2.gz FEYKVHZSDYSJLP-UHFFFAOYSA-N 0 0 226.684 3.534 10 0 BHAERN Cc1occc1C(=O)c1ccc(Cl)s1 ZINC000035369028 357197152 /nfs/dbraw/zinc/19/71/52/357197152.db2.gz LPKFVPIKSADDHM-UHFFFAOYSA-N 0 0 226.684 3.534 10 0 BHAERN O=C(c1ccsc1)c1ccc(Cl)s1 ZINC000035369029 357197445 /nfs/dbraw/zinc/19/74/45/357197445.db2.gz DCLAQGPVVJXXEU-UHFFFAOYSA-N 0 0 228.725 3.694 10 0 BHAERN Cc1ccsc1C(=O)c1c[nH]c2ccccc21 ZINC000035369142 179539861 /nfs/dbraw/zinc/53/98/61/179539861.db2.gz TVTJEEGWTLVBDE-UHFFFAOYSA-N 0 0 241.315 3.769 10 0 BHAERN Cc1ccc(C(=O)c2c[nH]c3ccccc32)s1 ZINC000035369143 178446398 /nfs/dbraw/zinc/44/63/98/178446398.db2.gz NGKITUSPQCRDQD-UHFFFAOYSA-N 0 0 241.315 3.769 10 0 BHAERN Cc1ccc(C(=O)c2cc(C)sc2C)s1 ZINC000035369201 357197409 /nfs/dbraw/zinc/19/74/09/357197409.db2.gz OWRJNEBXROSGDF-UHFFFAOYSA-N 0 0 236.361 3.966 10 0 BHAERN CC(C)Oc1ccc(C(=O)c2ccsc2)cc1 ZINC000035369236 167291679 /nfs/dbraw/zinc/29/16/79/167291679.db2.gz LNNHOFXMEBIDQV-UHFFFAOYSA-N 0 0 246.331 3.766 10 0 BHAERN CC(C)Oc1ccc(C(=O)c2cccs2)cc1 ZINC000035369237 167292004 /nfs/dbraw/zinc/29/20/04/167292004.db2.gz GVSSVVYAENMLFX-UHFFFAOYSA-N 0 0 246.331 3.766 10 0 BHAERN Cc1cccc2[nH]cc(C(=O)c3ccsc3)c21 ZINC000035369714 179207846 /nfs/dbraw/zinc/20/78/46/179207846.db2.gz IGYNSNNKCYCJRM-UHFFFAOYSA-N 0 0 241.315 3.769 10 0 BHAERN Cc1cccc2[nH]cc(C(=O)c3cccs3)c21 ZINC000035369715 179207565 /nfs/dbraw/zinc/20/75/65/179207565.db2.gz SHHCVRZICCYFLC-UHFFFAOYSA-N 0 0 241.315 3.769 10 0 BHAERN Cc1ccc2c(c1)[nH]cc2C(=O)c1cccs1 ZINC000035369730 178938330 /nfs/dbraw/zinc/93/83/30/178938330.db2.gz FFEDKGCVYMGQQQ-UHFFFAOYSA-N 0 0 241.315 3.769 10 0 BHAERN O=C(c1ccoc1)c1cc(Cl)sc1Cl ZINC000035379371 357203100 /nfs/dbraw/zinc/20/31/00/357203100.db2.gz NROIAPALRTZNHZ-UHFFFAOYSA-N 0 0 247.102 3.879 10 0 BHAERN COc1ccc(C(=O)c2sccc2C)cc1C ZINC000035379457 175066663 /nfs/dbraw/zinc/06/66/63/175066663.db2.gz XOTBEDVMFIWCEN-UHFFFAOYSA-N 0 0 246.331 3.605 10 0 BHAERN COc1ccc(C(=O)c2ccc(C)s2)cc1C ZINC000035379458 175066117 /nfs/dbraw/zinc/06/61/17/175066117.db2.gz PPUAHGUDWGIAQV-UHFFFAOYSA-N 0 0 246.331 3.605 10 0 BHAERN N[C@@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035382454 357211542 /nfs/dbraw/zinc/21/15/42/357211542.db2.gz YGADFZAEPQNFJE-MRVPVSSYSA-N 0 0 248.134 3.696 10 0 BHAERN N[C@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000035382456 357211429 /nfs/dbraw/zinc/21/14/29/357211429.db2.gz YGADFZAEPQNFJE-QMMMGPOBSA-N 0 0 248.134 3.696 10 0 BHAERN O=Cc1cccn1C1CCCCCCC1 ZINC000035431259 343296981 /nfs/dbraw/zinc/29/69/81/343296981.db2.gz DYPKCXMPXCUDIG-UHFFFAOYSA-N 0 0 205.301 3.586 10 0 BHAERN CCC[C@@H](C)[C@H]([NH2+]C)c1c(F)cc(F)cc1F ZINC000035469452 169373005 /nfs/dbraw/zinc/37/30/05/169373005.db2.gz KATUZJXSXPWERQ-OQPBUACISA-N 0 0 245.288 3.801 10 0 BHAERN CN[C@@H](c1c(C)c(C)cc(C)c1C)C(F)(F)F ZINC000035490983 173426761 /nfs/dbraw/zinc/42/67/61/173426761.db2.gz NZCDMZNPMMXZOH-LBPRGKRZSA-N 0 0 245.288 3.743 10 0 BHAERN CN[C@H](c1c(C)c(C)cc(C)c1C)C(F)(F)F ZINC000035490986 173455051 /nfs/dbraw/zinc/45/50/51/173455051.db2.gz NZCDMZNPMMXZOH-GFCCVEGCSA-N 0 0 245.288 3.743 10 0 BHAERN CCC[C@@H](C)[C@H]([NH2+]C)c1cc(F)ccc1OC ZINC000035499101 169373234 /nfs/dbraw/zinc/37/32/34/169373234.db2.gz RPJCIBSJPCIXFG-YGRLFVJLSA-N 0 0 239.334 3.531 10 0 BHAERN CN[C@@H](c1csc2ccccc21)C(F)(F)F ZINC000035499492 173430650 /nfs/dbraw/zinc/43/06/50/173430650.db2.gz NLSHZPKRHQWSDE-JTQLQIEISA-N 0 0 245.269 3.724 10 0 BHAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([C@@H]1CCC[C@H](O)C1)C2 ZINC000035567092 168003601 /nfs/dbraw/zinc/00/36/01/168003601.db2.gz IGEVVMFDMLDFFU-SSZWKKLZSA-N 0 0 236.399 4.000 10 0 BHAERN FC(F)(F)C(=S)SCc1ccccc1 ZINC000035569189 358001223 /nfs/dbraw/zinc/00/12/23/358001223.db2.gz WLAJGXUPCSSPIM-UHFFFAOYSA-N 0 0 236.283 3.810 10 0 BHAERN CCC[C@@H](CC)OC(=O)C1CCCCC1 ZINC000035569331 169380299 /nfs/dbraw/zinc/38/02/99/169380299.db2.gz CZPOPMANVCBRCY-GFCCVEGCSA-N 0 0 212.333 3.689 10 0 BHAERN Clc1ccc2c(c1)Cc1ccccc1N2 ZINC000035569572 180586639 /nfs/dbraw/zinc/58/66/39/180586639.db2.gz YOQDPPKCXWBVKE-UHFFFAOYSA-N 0 0 215.683 3.988 10 0 BHAERN CCCN[C@@H](c1ccc(C)cc1C)C(F)(F)F ZINC000035579464 169279196 /nfs/dbraw/zinc/27/91/96/169279196.db2.gz JBUPIKAEVNSOHE-LBPRGKRZSA-N 0 0 245.288 3.906 10 0 BHAERN CCCN[C@H](c1ccc(C)cc1C)C(F)(F)F ZINC000035579466 169289664 /nfs/dbraw/zinc/28/96/64/169289664.db2.gz JBUPIKAEVNSOHE-GFCCVEGCSA-N 0 0 245.288 3.906 10 0 BHAERN CC[C@H](O)c1ccccc1OCc1ccccc1 ZINC000035625697 358008050 /nfs/dbraw/zinc/00/80/50/358008050.db2.gz YKVAYVVLBBAJRL-HNNXBMFYSA-N 0 0 242.318 3.709 10 0 BHAERN CC[C@@H](O)c1ccccc1OCc1ccccc1 ZINC000035625698 358008170 /nfs/dbraw/zinc/00/81/70/358008170.db2.gz YKVAYVVLBBAJRL-OAHLLOKOSA-N 0 0 242.318 3.709 10 0 BHAERN Cc1ccccc1COc1ccccc1[C@@H](C)O ZINC000035627130 179286894 /nfs/dbraw/zinc/28/68/94/179286894.db2.gz KRSRXEYVRLHXKS-CYBMUJFWSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1ccccc1COc1ccccc1[C@H](C)O ZINC000035627131 179287544 /nfs/dbraw/zinc/28/75/44/179287544.db2.gz KRSRXEYVRLHXKS-ZDUSSCGKSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1cccc(COc2ccccc2[C@@H](C)O)c1 ZINC000035627138 188111893 /nfs/dbraw/zinc/11/18/93/188111893.db2.gz OWZBZKOEPZFVRT-CYBMUJFWSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1cccc(COc2ccccc2[C@H](C)O)c1 ZINC000035627139 187258164 /nfs/dbraw/zinc/25/81/64/187258164.db2.gz OWZBZKOEPZFVRT-ZDUSSCGKSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1ccc(COc2ccccc2[C@@H](C)O)cc1 ZINC000035627144 178644359 /nfs/dbraw/zinc/64/43/59/178644359.db2.gz WMKLPVJSZCIIAZ-CYBMUJFWSA-N 0 0 242.318 3.627 10 0 BHAERN CCCCCCOc1cccc([C@@H](C)O)c1 ZINC000035627553 633836952 /nfs/dbraw/zinc/83/69/52/633836952.db2.gz BZCQFKCQAXNFEN-GFCCVEGCSA-N 0 0 222.328 3.699 10 0 BHAERN CCCCCCOc1cccc([C@H](C)O)c1 ZINC000035627554 633836781 /nfs/dbraw/zinc/83/67/81/633836781.db2.gz BZCQFKCQAXNFEN-LBPRGKRZSA-N 0 0 222.328 3.699 10 0 BHAERN C[C@H](O)c1cccc(OCC2CCCCC2)c1 ZINC000035627749 639765887 /nfs/dbraw/zinc/76/58/87/639765887.db2.gz BAGJKWKCOJFLIJ-LBPRGKRZSA-N 0 0 234.339 3.699 10 0 BHAERN C[C@@H](O)c1cccc(OCC2CCCCC2)c1 ZINC000035627750 639765693 /nfs/dbraw/zinc/76/56/93/639765693.db2.gz BAGJKWKCOJFLIJ-GFCCVEGCSA-N 0 0 234.339 3.699 10 0 BHAERN Cc1ccccc1COc1cccc([C@@H](C)O)c1 ZINC000035627845 179286811 /nfs/dbraw/zinc/28/68/11/179286811.db2.gz AQVFSYTUJBHQPE-CYBMUJFWSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1ccccc1COc1cccc([C@H](C)O)c1 ZINC000035627846 179287232 /nfs/dbraw/zinc/28/72/32/179287232.db2.gz AQVFSYTUJBHQPE-ZDUSSCGKSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1cccc(COc2cccc([C@@H](C)O)c2)c1 ZINC000035627853 187595815 /nfs/dbraw/zinc/59/58/15/187595815.db2.gz YEWWWCXTYSAQAV-CYBMUJFWSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1cccc(COc2cccc([C@H](C)O)c2)c1 ZINC000035627854 633837324 /nfs/dbraw/zinc/83/73/24/633837324.db2.gz YEWWWCXTYSAQAV-ZDUSSCGKSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1ccc(COc2cccc([C@@H](C)O)c2)cc1 ZINC000035627859 633837319 /nfs/dbraw/zinc/83/73/19/633837319.db2.gz WZQHEILMGISYTJ-CYBMUJFWSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1ccc(COc2cccc([C@H](C)O)c2)cc1 ZINC000035627860 633836899 /nfs/dbraw/zinc/83/68/99/633836899.db2.gz WZQHEILMGISYTJ-ZDUSSCGKSA-N 0 0 242.318 3.627 10 0 BHAERN CC(C)Oc1c2ccccc2ccc1[C@@H](C)O ZINC000035627999 167284264 /nfs/dbraw/zinc/28/42/64/167284264.db2.gz RRBRYAAJCSWKKU-LLVKDONJSA-N 0 0 230.307 3.680 10 0 BHAERN CC(C)Oc1c2ccccc2ccc1[C@H](C)O ZINC000035628000 167285400 /nfs/dbraw/zinc/28/54/00/167285400.db2.gz RRBRYAAJCSWKKU-NSHDSACASA-N 0 0 230.307 3.680 10 0 BHAERN CCCOc1c2ccccc2ccc1[C@@H](C)O ZINC000035628001 169313600 /nfs/dbraw/zinc/31/36/00/169313600.db2.gz XBOULGKDZXGXJE-LLVKDONJSA-N 0 0 230.307 3.682 10 0 BHAERN CCCOc1c2ccccc2ccc1[C@H](C)O ZINC000035628002 169314236 /nfs/dbraw/zinc/31/42/36/169314236.db2.gz XBOULGKDZXGXJE-NSHDSACASA-N 0 0 230.307 3.682 10 0 BHAERN CC(=O)c1cc(C)ccc1OC1CCCC1 ZINC000035629118 166443528 /nfs/dbraw/zinc/44/35/28/166443528.db2.gz XSCJPXBHLMDWOM-UHFFFAOYSA-N 0 0 218.296 3.519 10 0 BHAERN Cc1ccc(OCc2cccs2)c([C@@H](C)O)c1 ZINC000035630366 178816009 /nfs/dbraw/zinc/81/60/09/178816009.db2.gz MBSJBXMBPBYYMG-LLVKDONJSA-N 0 0 248.347 3.689 10 0 BHAERN C/C=C/COc1ccc2ccccc2c1C=O ZINC000035630735 188111726 /nfs/dbraw/zinc/11/17/26/188111726.db2.gz VBJQUJQKSXNEDS-NSCUHMNNSA-N 0 0 226.275 3.607 10 0 BHAERN CC[C@@H](C)Oc1ccc2ccccc2c1CO ZINC000035630936 170766581 /nfs/dbraw/zinc/76/65/81/170766581.db2.gz JUZGCHBNVXJBAI-LLVKDONJSA-N 0 0 230.307 3.509 10 0 BHAERN CC[C@H](C)Oc1ccc2ccccc2c1CO ZINC000035630937 171355852 /nfs/dbraw/zinc/35/58/52/171355852.db2.gz JUZGCHBNVXJBAI-NSHDSACASA-N 0 0 230.307 3.509 10 0 BHAERN C[C@H](O)c1ccc(N(C)c2ccccc2)cc1 ZINC000035631104 177017008 /nfs/dbraw/zinc/01/70/08/177017008.db2.gz AHFWTCYVQWCGNG-LBPRGKRZSA-N 0 0 227.307 3.508 10 0 BHAERN C[C@@H](O)c1ccc(N(C)c2ccccc2)c(F)c1 ZINC000035631109 175999489 /nfs/dbraw/zinc/99/94/89/175999489.db2.gz UQOADRWGIHBORJ-LLVKDONJSA-N 0 0 245.297 3.647 10 0 BHAERN CCCN(CCC)c1cccc(F)c1[C@@H](C)O ZINC000035631165 169154440 /nfs/dbraw/zinc/15/44/40/169154440.db2.gz UXRVVMNGUPUVAX-LLVKDONJSA-N 0 0 239.334 3.505 10 0 BHAERN CCCN(CCC)c1cccc(F)c1[C@H](C)O ZINC000035631166 169153318 /nfs/dbraw/zinc/15/33/18/169153318.db2.gz UXRVVMNGUPUVAX-NSHDSACASA-N 0 0 239.334 3.505 10 0 BHAERN CCCN(CCC)c1ccc(F)cc1[C@@H](C)O ZINC000035631169 169152913 /nfs/dbraw/zinc/15/29/13/169152913.db2.gz KUNKFKLPWYKWDX-LLVKDONJSA-N 0 0 239.334 3.505 10 0 BHAERN CCCN(CCC)c1ccc(F)cc1[C@H](C)O ZINC000035631170 169152062 /nfs/dbraw/zinc/15/20/62/169152062.db2.gz KUNKFKLPWYKWDX-NSHDSACASA-N 0 0 239.334 3.505 10 0 BHAERN CCCN(CCC)c1ccc([C@@H](C)O)cc1F ZINC000035631171 169154272 /nfs/dbraw/zinc/15/42/72/169154272.db2.gz RUXBKJURIASCTD-LLVKDONJSA-N 0 0 239.334 3.505 10 0 BHAERN CCCN(CCC)c1ccc([C@H](C)O)cc1F ZINC000035631172 169153921 /nfs/dbraw/zinc/15/39/21/169153921.db2.gz RUXBKJURIASCTD-NSHDSACASA-N 0 0 239.334 3.505 10 0 BHAERN CCCCN(CC)c1cccc(F)c1[C@H](C)O ZINC000035631268 168803320 /nfs/dbraw/zinc/80/33/20/168803320.db2.gz LJVUMNICHVONED-NSHDSACASA-N 0 0 239.334 3.505 10 0 BHAERN C[C@H](O)c1ccc(N(C)C2CCCCC2)cc1 ZINC000035631297 177017251 /nfs/dbraw/zinc/01/72/51/177017251.db2.gz AGZSFAPWQAEAQF-LBPRGKRZSA-N 0 0 233.355 3.509 10 0 BHAERN CCCN(c1cccc(F)c1[C@@H](C)O)C(C)C ZINC000035631646 169182990 /nfs/dbraw/zinc/18/29/90/169182990.db2.gz RYJVEKZWAUZENO-LLVKDONJSA-N 0 0 239.334 3.504 10 0 BHAERN CCCN(c1cccc(F)c1[C@H](C)O)C(C)C ZINC000035631647 169182889 /nfs/dbraw/zinc/18/28/89/169182889.db2.gz RYJVEKZWAUZENO-NSHDSACASA-N 0 0 239.334 3.504 10 0 BHAERN CCCN(c1ccc(F)cc1[C@@H](C)O)C(C)C ZINC000035631650 169182543 /nfs/dbraw/zinc/18/25/43/169182543.db2.gz NCIHZKMGNBCFLD-LLVKDONJSA-N 0 0 239.334 3.504 10 0 BHAERN CCCN(c1ccc(F)cc1[C@H](C)O)C(C)C ZINC000035631651 169182232 /nfs/dbraw/zinc/18/22/32/169182232.db2.gz NCIHZKMGNBCFLD-NSHDSACASA-N 0 0 239.334 3.504 10 0 BHAERN CCCN(c1ccc([C@@H](C)O)cc1F)C(C)C ZINC000035631652 169182960 /nfs/dbraw/zinc/18/29/60/169182960.db2.gz GAAFCJCZGOUYNY-LLVKDONJSA-N 0 0 239.334 3.504 10 0 BHAERN CCCN(c1ccc([C@H](C)O)cc1F)C(C)C ZINC000035631653 169182421 /nfs/dbraw/zinc/18/24/21/169182421.db2.gz GAAFCJCZGOUYNY-NSHDSACASA-N 0 0 239.334 3.504 10 0 BHAERN CC[C@H](C)N(CC)c1cccc(F)c1[C@@H](C)O ZINC000035631707 171311702 /nfs/dbraw/zinc/31/17/02/171311702.db2.gz ZIJCJGCJNYTMKW-WDEREUQCSA-N 0 0 239.334 3.504 10 0 BHAERN CC[C@H](C)N(CC)c1ccc([C@@H](C)O)cc1F ZINC000035631713 171311990 /nfs/dbraw/zinc/31/19/90/171311990.db2.gz HOAGBWPXNDXVBP-WDEREUQCSA-N 0 0 239.334 3.504 10 0 BHAERN CCCCCN(C)c1ccc([C@@H](C)O)cc1F ZINC000035631722 168687247 /nfs/dbraw/zinc/68/72/47/168687247.db2.gz UHSIFIDWDSSLRG-LLVKDONJSA-N 0 0 239.334 3.505 10 0 BHAERN Cc1ccc(Oc2ccc([C@H](C)O)cc2)cc1 ZINC000035631965 178820596 /nfs/dbraw/zinc/82/05/96/178820596.db2.gz SYAWZGCCRNBMKC-LBPRGKRZSA-N 0 0 228.291 3.841 10 0 BHAERN Cc1ccc(Oc2ccc([C@@H](C)O)cc2F)cc1 ZINC000035631966 178821282 /nfs/dbraw/zinc/82/12/82/178821282.db2.gz ZXXMMARPNWCACK-LLVKDONJSA-N 0 0 246.281 3.980 10 0 BHAERN Cc1ccc(Oc2ccc([C@H](C)O)cc2F)cc1 ZINC000035631967 383867012 /nfs/dbraw/zinc/86/70/12/383867012.db2.gz ZXXMMARPNWCACK-NSHDSACASA-N 0 0 246.281 3.980 10 0 BHAERN COc1cccc(Oc2ccc([C@@H](C)O)cc2)c1 ZINC000035632143 175285163 /nfs/dbraw/zinc/28/51/63/175285163.db2.gz IYHBEEZVNQBAEQ-LLVKDONJSA-N 0 0 244.290 3.541 10 0 BHAERN C[C@H](O)c1ccc(Oc2ccccc2F)cc1 ZINC000035632186 177017610 /nfs/dbraw/zinc/01/76/10/177017610.db2.gz CLBYUIZRXKIWJM-JTQLQIEISA-N 0 0 232.254 3.671 10 0 BHAERN C[C@@H](O)c1ccc(Oc2ccccc2F)cc1 ZINC000035632187 175999172 /nfs/dbraw/zinc/99/91/72/175999172.db2.gz CLBYUIZRXKIWJM-SNVBAGLBSA-N 0 0 232.254 3.671 10 0 BHAERN Cc1cccc(Oc2ccc([C@@H](C)O)cc2F)c1 ZINC000035632260 383867067 /nfs/dbraw/zinc/86/70/67/383867067.db2.gz BWEYXMIWVYOIPV-LLVKDONJSA-N 0 0 246.281 3.980 10 0 BHAERN Cc1cccc(Oc2ccc([C@H](C)O)cc2F)c1 ZINC000035632261 343300794 /nfs/dbraw/zinc/30/07/94/343300794.db2.gz BWEYXMIWVYOIPV-NSHDSACASA-N 0 0 246.281 3.980 10 0 BHAERN Cc1ccccc1Oc1ccc([C@@H](C)O)cc1 ZINC000035632268 179313908 /nfs/dbraw/zinc/31/39/08/179313908.db2.gz QBFDMYSYERGNDK-GFCCVEGCSA-N 0 0 228.291 3.841 10 0 BHAERN Cc1ccccc1Oc1ccc([C@H](C)O)cc1 ZINC000035632269 179314613 /nfs/dbraw/zinc/31/46/13/179314613.db2.gz QBFDMYSYERGNDK-LBPRGKRZSA-N 0 0 228.291 3.841 10 0 BHAERN Cc1ccccc1Oc1ccc([C@@H](C)O)cc1F ZINC000035632270 179313851 /nfs/dbraw/zinc/31/38/51/179313851.db2.gz AXLAIXFVNFBMBP-LLVKDONJSA-N 0 0 246.281 3.980 10 0 BHAERN Cc1ccccc1Oc1ccc([C@H](C)O)cc1F ZINC000035632271 179314549 /nfs/dbraw/zinc/31/45/49/179314549.db2.gz AXLAIXFVNFBMBP-NSHDSACASA-N 0 0 246.281 3.980 10 0 BHAERN C[C@H](O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000035632278 177017272 /nfs/dbraw/zinc/01/72/72/177017272.db2.gz SHWOMEQIYAAQLJ-JTQLQIEISA-N 0 0 232.254 3.671 10 0 BHAERN C[C@@H](O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000035632279 175999189 /nfs/dbraw/zinc/99/91/89/175999189.db2.gz SHWOMEQIYAAQLJ-SNVBAGLBSA-N 0 0 232.254 3.671 10 0 BHAERN C[C@H](O)c1c(F)cccc1Oc1ccccc1 ZINC000035632286 177016359 /nfs/dbraw/zinc/01/63/59/177016359.db2.gz GCHREBRXIHXYDG-JTQLQIEISA-N 0 0 232.254 3.671 10 0 BHAERN C[C@@H](O)c1c(F)cccc1Oc1ccccc1 ZINC000035632287 175997986 /nfs/dbraw/zinc/99/79/86/175997986.db2.gz GCHREBRXIHXYDG-SNVBAGLBSA-N 0 0 232.254 3.671 10 0 BHAERN C[C@H](O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000035632290 177017115 /nfs/dbraw/zinc/01/71/15/177017115.db2.gz OUMJSIPCGYQQHH-JTQLQIEISA-N 0 0 232.254 3.671 10 0 BHAERN C[C@@H](O)c1ccc(Oc2ccccc2)c(F)c1 ZINC000035632291 343300739 /nfs/dbraw/zinc/30/07/39/343300739.db2.gz OUMJSIPCGYQQHH-SNVBAGLBSA-N 0 0 232.254 3.671 10 0 BHAERN C[C@H](O)c1cc(F)ccc1Oc1ccccc1 ZINC000035632294 177016650 /nfs/dbraw/zinc/01/66/50/177016650.db2.gz GRCCXEHNAJWSCO-JTQLQIEISA-N 0 0 232.254 3.671 10 0 BHAERN C[C@H](O)c1ccc(Oc2cccc(F)c2)cc1 ZINC000035632348 177016991 /nfs/dbraw/zinc/01/69/91/177016991.db2.gz DITLGFVCRQDHCY-JTQLQIEISA-N 0 0 232.254 3.671 10 0 BHAERN Cc1cnc(Cl)nc1Sc1ccccc1 ZINC000035635547 343300949 /nfs/dbraw/zinc/30/09/49/343300949.db2.gz INQNGDBULHQDHD-UHFFFAOYSA-N 0 0 236.727 3.590 10 0 BHAERN Cc1cccc(C)c1OCc1cccc(N)c1C ZINC000035649336 179047446 /nfs/dbraw/zinc/04/74/46/179047446.db2.gz SFRCGAYXOSTPQO-UHFFFAOYSA-N 0 0 241.334 3.773 10 0 BHAERN CCc1ccc(OCc2cccc(N)c2C)cc1 ZINC000035649353 171827537 /nfs/dbraw/zinc/82/75/37/171827537.db2.gz ANHZISYKSJIAHU-UHFFFAOYSA-N 0 0 241.334 3.719 10 0 BHAERN Cc1ccc(C)c(OCc2cccc(N)c2C)c1 ZINC000035649362 178491416 /nfs/dbraw/zinc/49/14/16/178491416.db2.gz FROCLWCNDOWNDI-UHFFFAOYSA-N 0 0 241.334 3.773 10 0 BHAERN Cc1ccc(OCc2cccc(N)c2C)cc1C ZINC000035649363 178815953 /nfs/dbraw/zinc/81/59/53/178815953.db2.gz DRJZQJXLUYHPTG-UHFFFAOYSA-N 0 0 241.334 3.773 10 0 BHAERN Cc1c(N)cccc1CO[C@@H]1CCCC[C@H]1C ZINC000035649411 177612821 /nfs/dbraw/zinc/61/28/21/177612821.db2.gz MFDKPTDKTQPPAO-IAQYHMDHSA-N 0 0 233.355 3.673 10 0 BHAERN Cc1c(N)cccc1CO[C@H]1CCCC[C@H]1C ZINC000035649412 177612621 /nfs/dbraw/zinc/61/26/21/177612621.db2.gz MFDKPTDKTQPPAO-ABAIWWIYSA-N 0 0 233.355 3.673 10 0 BHAERN Cc1c(N)cccc1CO[C@H]1CCC[C@H](C)C1 ZINC000035649472 177612576 /nfs/dbraw/zinc/61/25/76/177612576.db2.gz OYWPNAKXDQWBOW-FZMZJTMJSA-N 0 0 233.355 3.673 10 0 BHAERN Cc1c(N)cccc1CO[C@@H]1CCC[C@@H](C)C1 ZINC000035649473 177613097 /nfs/dbraw/zinc/61/30/97/177613097.db2.gz OYWPNAKXDQWBOW-BXUZGUMPSA-N 0 0 233.355 3.673 10 0 BHAERN OCCCCn1c2ccccc2c2ccccc21 ZINC000035650093 187421716 /nfs/dbraw/zinc/42/17/16/187421716.db2.gz AAYHPNFUILQYNU-UHFFFAOYSA-N 0 0 239.318 3.567 10 0 BHAERN CCC(C)(C)c1ccc(OCCCCO)cc1 ZINC000035650239 168306307 /nfs/dbraw/zinc/30/63/07/168306307.db2.gz BDSNFSIVPGZNJP-UHFFFAOYSA-N 0 0 236.355 3.526 10 0 BHAERN OCCCCOc1ccccc1-c1ccccc1 ZINC000035650283 358012869 /nfs/dbraw/zinc/01/28/69/358012869.db2.gz XHXKREZIEJJZTL-UHFFFAOYSA-N 0 0 242.318 3.505 10 0 BHAERN C[C@H](O)c1ccccc1N(C)c1ccccc1 ZINC000035650419 177018050 /nfs/dbraw/zinc/01/80/50/177018050.db2.gz JCIFPDFGAQYSLX-LBPRGKRZSA-N 0 0 227.307 3.508 10 0 BHAERN C[C@@H](O)c1ccccc1N(C)c1ccccc1 ZINC000035650420 176000321 /nfs/dbraw/zinc/00/03/21/176000321.db2.gz JCIFPDFGAQYSLX-GFCCVEGCSA-N 0 0 227.307 3.508 10 0 BHAERN C[C@H](O)c1ccccc1N(C)C1CCCCC1 ZINC000035650466 177018202 /nfs/dbraw/zinc/01/82/02/177018202.db2.gz WDTLWAHUCQEFAL-LBPRGKRZSA-N 0 0 233.355 3.509 10 0 BHAERN C[C@@H](O)c1ccccc1N(C)C1CCCCC1 ZINC000035650467 175999647 /nfs/dbraw/zinc/99/96/47/175999647.db2.gz WDTLWAHUCQEFAL-GFCCVEGCSA-N 0 0 233.355 3.509 10 0 BHAERN C[C@H](O)c1ccccc1N1CCCCCCC1 ZINC000035650509 177018085 /nfs/dbraw/zinc/01/80/85/177018085.db2.gz BMFOCHFJQJHQEQ-ZDUSSCGKSA-N 0 0 233.355 3.510 10 0 BHAERN C[C@@H](O)c1ccccc1N1CCCCCCC1 ZINC000035650510 176000349 /nfs/dbraw/zinc/00/03/49/176000349.db2.gz BMFOCHFJQJHQEQ-CYBMUJFWSA-N 0 0 233.355 3.510 10 0 BHAERN CC[C@@H]1CCCCN1c1ccccc1[C@@H](C)O ZINC000035650533 132338823 /nfs/dbraw/zinc/33/88/23/132338823.db2.gz UCMGKYUHAOAPPP-CHWSQXEVSA-N 0 0 233.355 3.509 10 0 BHAERN CC[C@H]1CCCCN1c1ccccc1[C@@H](C)O ZINC000035650534 132338864 /nfs/dbraw/zinc/33/88/64/132338864.db2.gz UCMGKYUHAOAPPP-OLZOCXBDSA-N 0 0 233.355 3.509 10 0 BHAERN COc1cccc(Oc2ccccc2[C@@H](C)O)c1 ZINC000035650658 175284803 /nfs/dbraw/zinc/28/48/03/175284803.db2.gz VIQYGFZRKWIJHI-LLVKDONJSA-N 0 0 244.290 3.541 10 0 BHAERN C[C@H](O)c1ccccc1Oc1ccccc1F ZINC000035650667 177018219 /nfs/dbraw/zinc/01/82/19/177018219.db2.gz GERXNSFDGHJLSL-JTQLQIEISA-N 0 0 232.254 3.671 10 0 BHAERN C[C@@H](O)c1ccccc1Oc1ccccc1F ZINC000035650668 176000366 /nfs/dbraw/zinc/00/03/66/176000366.db2.gz GERXNSFDGHJLSL-SNVBAGLBSA-N 0 0 232.254 3.671 10 0 BHAERN Cc1ccccc1Oc1ccccc1[C@@H](C)O ZINC000035650685 179314114 /nfs/dbraw/zinc/31/41/14/179314114.db2.gz VJIHYXBTFRTXFF-GFCCVEGCSA-N 0 0 228.291 3.841 10 0 BHAERN Cc1ccccc1Oc1ccccc1[C@H](C)O ZINC000035650686 179314451 /nfs/dbraw/zinc/31/44/51/179314451.db2.gz VJIHYXBTFRTXFF-LBPRGKRZSA-N 0 0 228.291 3.841 10 0 BHAERN C[C@H](O)c1ccccc1Oc1ccc(F)cc1 ZINC000035650687 177017977 /nfs/dbraw/zinc/01/79/77/177017977.db2.gz SPNUOEJICAYFNY-JTQLQIEISA-N 0 0 232.254 3.671 10 0 BHAERN C[C@@H](O)c1ccccc1Oc1ccc(F)cc1 ZINC000035650688 176000346 /nfs/dbraw/zinc/00/03/46/176000346.db2.gz SPNUOEJICAYFNY-SNVBAGLBSA-N 0 0 232.254 3.671 10 0 BHAERN C[C@H](O)c1ccccc1Oc1cccc(F)c1 ZINC000035650699 177018128 /nfs/dbraw/zinc/01/81/28/177018128.db2.gz JVXWYZAIQOIDEC-JTQLQIEISA-N 0 0 232.254 3.671 10 0 BHAERN Cc1cc(-c2ccccn2)nc(-c2ccccn2)c1 ZINC000035654031 368323545 /nfs/dbraw/zinc/32/35/45/368323545.db2.gz UZUDKOHDONKQCH-UHFFFAOYSA-N 0 0 247.301 3.514 10 0 BHAERN Cc1ccnc(-c2cccc(-c3ccccn3)n2)c1 ZINC000035654033 368323620 /nfs/dbraw/zinc/32/36/20/368323620.db2.gz BOAJWVHGDVCXJY-UHFFFAOYSA-N 0 0 247.301 3.514 10 0 BHAERN Cc1ccc(-c2cccc(-c3ccccn3)n2)nc1 ZINC000035654035 368324282 /nfs/dbraw/zinc/32/42/82/368324282.db2.gz NFFCTQMTJGEEEW-UHFFFAOYSA-N 0 0 247.301 3.514 10 0 BHAERN Cc1cccc(-c2cccc(-c3ccccn3)n2)n1 ZINC000035654037 368323984 /nfs/dbraw/zinc/32/39/84/368323984.db2.gz OCKRHIKRVUHGIU-UHFFFAOYSA-N 0 0 247.301 3.514 10 0 BHAERN Fc1ccc(F)c(NC2Cc3ccccc3C2)c1 ZINC000035657866 180974731 /nfs/dbraw/zinc/97/47/31/180974731.db2.gz QVXDPVOCKYNSON-UHFFFAOYSA-N 0 0 245.272 3.544 10 0 BHAERN Fc1ccc(NC2Cc3ccccc3C2)cc1F ZINC000035657904 180976223 /nfs/dbraw/zinc/97/62/23/180976223.db2.gz SOSYBQRBDYXYEG-UHFFFAOYSA-N 0 0 245.272 3.544 10 0 BHAERN Cc1ccc(NC2Cc3ccccc3C2)cc1C ZINC000035657907 178756291 /nfs/dbraw/zinc/75/62/91/178756291.db2.gz UXVKMOTXZRIVSL-UHFFFAOYSA-N 0 0 237.346 3.883 10 0 BHAERN Cc1cc(C)cc(NC2Cc3ccccc3C2)c1 ZINC000035657931 177907812 /nfs/dbraw/zinc/90/78/12/177907812.db2.gz YZAABZVKPGOZEC-UHFFFAOYSA-N 0 0 237.346 3.883 10 0 BHAERN Cc1cc(F)ccc1NC1Cc2ccccc2C1 ZINC000035657941 178089944 /nfs/dbraw/zinc/08/99/44/178089944.db2.gz JIASOOSTHHZYIJ-UHFFFAOYSA-N 0 0 241.309 3.713 10 0 BHAERN Fc1cc(F)cc(NC2Cc3ccccc3C2)c1 ZINC000035657942 180954820 /nfs/dbraw/zinc/95/48/20/180954820.db2.gz PNYQJRVXOFRILR-UHFFFAOYSA-N 0 0 245.272 3.544 10 0 BHAERN c1cc2cc(NC3Cc4ccccc4C3)ccc2[nH]1 ZINC000035658024 188104104 /nfs/dbraw/zinc/10/41/04/188104104.db2.gz WQFKFFOYORRFDP-UHFFFAOYSA-N 0 0 248.329 3.747 10 0 BHAERN Cc1ccc(NC2Cc3ccccc3C2)c(F)c1 ZINC000035658100 178756436 /nfs/dbraw/zinc/75/64/36/178756436.db2.gz UXFCIHVBGLSWKV-UHFFFAOYSA-N 0 0 241.309 3.713 10 0 BHAERN Fc1cccc(F)c1NC1Cc2ccccc2C1 ZINC000035658109 181000798 /nfs/dbraw/zinc/00/07/98/181000798.db2.gz RRXGLCSGPIZKHF-UHFFFAOYSA-N 0 0 245.272 3.544 10 0 BHAERN CC(C)Oc1c(Cl)cc(Cl)cc1C=O ZINC000035662300 167284001 /nfs/dbraw/zinc/28/40/01/167284001.db2.gz UCZRDRAUJDGJSM-UHFFFAOYSA-N 0 0 233.094 3.593 10 0 BHAERN Cc1nnc(N[C@H](C)CC(C)C)c2ccccc12 ZINC000035663668 180436352 /nfs/dbraw/zinc/43/63/52/180436352.db2.gz QZEYTNVVKCGOPT-LLVKDONJSA-N 0 0 243.354 3.785 10 0 BHAERN Cc1cc(N[C@H](C)CC(C)C)nc(C(C)C)n1 ZINC000035663823 178185908 /nfs/dbraw/zinc/18/59/08/178185908.db2.gz FNEUINRLBIAZSL-LLVKDONJSA-N 0 0 235.375 3.755 10 0 BHAERN CC(=O)c1sc2c(c1C)c(F)ccc2F ZINC000035676386 342754537 /nfs/dbraw/zinc/75/45/37/342754537.db2.gz KBKFCZUYPMZQHO-UHFFFAOYSA-N 0 0 226.247 3.691 10 0 BHAERN CC(C)[C@@H](C)Nc1nccc2sccc21 ZINC000035687752 342755635 /nfs/dbraw/zinc/75/56/35/342755635.db2.gz JRJGURSSYHDBTG-SECBINFHSA-N 0 0 220.341 3.753 10 0 BHAERN CC(C)[C@H](C)Nc1nccc2sccc21 ZINC000035687753 342755677 /nfs/dbraw/zinc/75/56/77/342755677.db2.gz JRJGURSSYHDBTG-VIFPVBQESA-N 0 0 220.341 3.753 10 0 BHAERN CCCc1ccc2nccc(Cl)c2c1 ZINC000035731068 343302682 /nfs/dbraw/zinc/30/26/82/343302682.db2.gz JSEJNTUEGSCAAH-UHFFFAOYSA-N 0 0 205.688 3.841 10 0 BHAERN CCCOc1cccc2c(Cl)ccnc12 ZINC000035731071 169326091 /nfs/dbraw/zinc/32/60/91/169326091.db2.gz PPYMIVOMBONZGI-UHFFFAOYSA-N 0 0 221.687 3.677 10 0 BHAERN Fc1ccc(Cl)c2c(Cl)ccnc12 ZINC000035731072 342757742 /nfs/dbraw/zinc/75/77/42/342757742.db2.gz LUPCVOWXKVNVAQ-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN Clc1ccnc2c1ccc1c2CCCC1 ZINC000035731081 342757782 /nfs/dbraw/zinc/75/77/82/342757782.db2.gz BIXVQBHXVSSDOO-UHFFFAOYSA-N 0 0 217.699 3.767 10 0 BHAERN Fc1cc(Cl)c2nccc(Cl)c2c1 ZINC000035731096 343302778 /nfs/dbraw/zinc/30/27/78/343302778.db2.gz JPMKUTLGWKEDLS-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN Fc1cc(Cl)cc2c(Cl)ccnc12 ZINC000035731099 526299732 /nfs/dbraw/zinc/29/97/32/526299732.db2.gz STMMADPUSDBPHQ-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN CC(C)Oc1ccc2nccc(Cl)c2c1 ZINC000035731107 167304391 /nfs/dbraw/zinc/30/43/91/167304391.db2.gz NZYSHMFIANGSCP-UHFFFAOYSA-N 0 0 221.687 3.675 10 0 BHAERN C[C@@H](Nc1cccc(N)c1)c1cccs1 ZINC000035736739 175933333 /nfs/dbraw/zinc/93/33/33/175933333.db2.gz FYXHQRJJRKGYGT-SECBINFHSA-N 0 0 218.325 3.503 10 0 BHAERN C[C@H](Nc1ccc(Cl)cn1)c1cccs1 ZINC000035737170 323669514 /nfs/dbraw/zinc/66/95/14/323669514.db2.gz ZXZFTINNNGSMQX-QMMMGPOBSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](Nc1ccc(Cl)cn1)c1cccs1 ZINC000035737171 323670143 /nfs/dbraw/zinc/67/01/43/323670143.db2.gz ZXZFTINNNGSMQX-MRVPVSSYSA-N 0 0 238.743 3.970 10 0 BHAERN Cc1cc(C)c([C@H](C)Nc2cnn(C)c2)cc1C ZINC000035737516 177873734 /nfs/dbraw/zinc/87/37/34/177873734.db2.gz VERNNUHWPKTWLH-ZDUSSCGKSA-N 0 0 243.354 3.518 10 0 BHAERN CCC(C)(C)C1CCC(Nc2cnn(C)c2)CC1 ZINC000035737891 168270836 /nfs/dbraw/zinc/27/08/36/168270836.db2.gz JCWHRJNMCVDCAC-UHFFFAOYSA-N 0 0 249.402 3.827 10 0 BHAERN Cc1ccc([C@@H](C)N[C@@H](C)c2ccco2)o1 ZINC000035738972 383872048 /nfs/dbraw/zinc/87/20/48/383872048.db2.gz HSAWWRAKAIUYLA-WDEREUQCSA-N 0 0 219.284 3.593 10 0 BHAERN Cc1ccc([C@H](C)N[C@@H](C)c2ccco2)o1 ZINC000035738973 383872648 /nfs/dbraw/zinc/87/26/48/383872648.db2.gz HSAWWRAKAIUYLA-QWRGUYRKSA-N 0 0 219.284 3.593 10 0 BHAERN Cc1ccc([C@@H](C)N[C@H](C)c2ccco2)o1 ZINC000035738974 383874656 /nfs/dbraw/zinc/87/46/56/383874656.db2.gz HSAWWRAKAIUYLA-GHMZBOCLSA-N 0 0 219.284 3.593 10 0 BHAERN Cc1ccc([C@H](C)N[C@H](C)c2ccco2)o1 ZINC000035738975 383872307 /nfs/dbraw/zinc/87/23/07/383872307.db2.gz HSAWWRAKAIUYLA-MNOVXSKESA-N 0 0 219.284 3.593 10 0 BHAERN C[C@@H](Nc1c(N)cccc1Cl)c1ccco1 ZINC000035739222 175929113 /nfs/dbraw/zinc/92/91/13/175929113.db2.gz KGFCAXGVJIHBSQ-MRVPVSSYSA-N 0 0 236.702 3.688 10 0 BHAERN C[C@H](Nc1ccc(Cl)cc1N)c1ccco1 ZINC000035739235 187939586 /nfs/dbraw/zinc/93/95/86/187939586.db2.gz FVRTVKODWOSTCX-QMMMGPOBSA-N 0 0 236.702 3.688 10 0 BHAERN C[C@H](Nc1ccc(Cl)cn1)c1ccco1 ZINC000035739520 342757928 /nfs/dbraw/zinc/75/79/28/342757928.db2.gz UUDPPSPAVAXZOX-QMMMGPOBSA-N 0 0 222.675 3.501 10 0 BHAERN C[C@@H](Nc1ccc(Cl)cn1)c1ccco1 ZINC000035739521 342758067 /nfs/dbraw/zinc/75/80/67/342758067.db2.gz UUDPPSPAVAXZOX-MRVPVSSYSA-N 0 0 222.675 3.501 10 0 BHAERN C[C@@H](c1ccco1)n1c(=S)[nH]c2ccccc21 ZINC000035739608 176032889 /nfs/dbraw/zinc/03/28/89/176032889.db2.gz PHXHYTWFVYFDML-VIFPVBQESA-N 0 0 244.319 3.901 10 0 BHAERN C[C@H](c1ccco1)n1c(=S)[nH]c2ccccc21 ZINC000035739609 177048681 /nfs/dbraw/zinc/04/86/81/177048681.db2.gz PHXHYTWFVYFDML-SECBINFHSA-N 0 0 244.319 3.901 10 0 BHAERN C[C@@H]1CSc2c(Cl)ccc(Cl)c2C1=O ZINC000035757042 342759360 /nfs/dbraw/zinc/75/93/60/342759360.db2.gz ZITLKLJWYSUSFF-RXMQYKEDSA-N 0 0 247.146 3.918 10 0 BHAERN C[C@H]1CSc2c(Cl)ccc(Cl)c2C1=O ZINC000035757043 342759290 /nfs/dbraw/zinc/75/92/90/342759290.db2.gz ZITLKLJWYSUSFF-YFKPBYRVSA-N 0 0 247.146 3.918 10 0 BHAERN CCCCc1ccc([C@@H](C)Nc2cn[nH]c2)cc1 ZINC000035763603 169022511 /nfs/dbraw/zinc/02/25/11/169022511.db2.gz HYSZGPVQEXQWLH-GFCCVEGCSA-N 0 0 243.354 3.925 10 0 BHAERN CCCCc1ccc([C@H](C)Nc2cn[nH]c2)cc1 ZINC000035763604 169022760 /nfs/dbraw/zinc/02/27/60/169022760.db2.gz HYSZGPVQEXQWLH-LBPRGKRZSA-N 0 0 243.354 3.925 10 0 BHAERN CCCC[C@H](Nc1cn[nH]c1)c1ccc(F)cc1 ZINC000035763639 169012792 /nfs/dbraw/zinc/01/27/92/169012792.db2.gz XQVDFOZHLUQREF-AWEZNQCLSA-N 0 0 247.317 3.892 10 0 BHAERN CCCC[C@@H](Nc1cn[nH]c1)c1ccc(F)cc1 ZINC000035763640 168974396 /nfs/dbraw/zinc/97/43/96/168974396.db2.gz XQVDFOZHLUQREF-CQSZACIVSA-N 0 0 247.317 3.892 10 0 BHAERN Cc1cc(C)c([C@@H](C)Nc2cn[nH]c2)cc1C ZINC000035763647 177871814 /nfs/dbraw/zinc/87/18/14/177871814.db2.gz DRXUJAJKIJLYFZ-GFCCVEGCSA-N 0 0 229.327 3.508 10 0 BHAERN CCCc1ccc([C@@H](C)Nc2cn[nH]c2)cc1 ZINC000035763801 169573574 /nfs/dbraw/zinc/57/35/74/169573574.db2.gz BHDUMVLAJPPHCI-LLVKDONJSA-N 0 0 229.327 3.535 10 0 BHAERN Cc1cc(C)c([C@H](C)Nc2cn[nH]c2)c(C)c1 ZINC000035763841 177873801 /nfs/dbraw/zinc/87/38/01/177873801.db2.gz GAYRQNNDOXSULA-LBPRGKRZSA-N 0 0 229.327 3.508 10 0 BHAERN c1n[nH]cc1NC1CCC(c2ccccc2)CC1 ZINC000035764045 183390217 /nfs/dbraw/zinc/39/02/17/183390217.db2.gz ZEYLBQMMZUYKTA-UHFFFAOYSA-N 0 0 241.338 3.548 10 0 BHAERN CCC(C)(C)C1CCC(Nc2cn[nH]c2)CC1 ZINC000035764057 168270542 /nfs/dbraw/zinc/27/05/42/168270542.db2.gz MNEAXDNOSMEPPN-UHFFFAOYSA-N 0 0 235.375 3.817 10 0 BHAERN c1n[nH]cc1NCc1ccc(-c2ccccc2)cc1 ZINC000035764068 183379862 /nfs/dbraw/zinc/37/98/62/183379862.db2.gz HUEKFXFGZOPRND-UHFFFAOYSA-N 0 0 249.317 3.689 10 0 BHAERN CCN(c1ccccc1[C@@H](C)O)C1CCCC1 ZINC000035772919 169943678 /nfs/dbraw/zinc/94/36/78/169943678.db2.gz SAQSXTMTSCAHNU-GFCCVEGCSA-N 0 0 233.355 3.509 10 0 BHAERN CCn1cc(NC(CC(C)C)CC(C)C)cn1 ZINC000035779986 172186023 /nfs/dbraw/zinc/18/60/23/172186023.db2.gz OZGMIIHZURCJAQ-UHFFFAOYSA-N 0 0 237.391 3.776 10 0 BHAERN CCn1cc(N[C@@H]2C[C@H](C)CC(C)(C)C2)cn1 ZINC000035780271 172186253 /nfs/dbraw/zinc/18/62/53/172186253.db2.gz FBUKOHZUCKQOCS-NWDGAFQWSA-N 0 0 235.375 3.530 10 0 BHAERN CCn1cc(N[C@H]2C[C@H](C)CC(C)(C)C2)cn1 ZINC000035780274 172188882 /nfs/dbraw/zinc/18/88/82/172188882.db2.gz FBUKOHZUCKQOCS-RYUDHWBXSA-N 0 0 235.375 3.530 10 0 BHAERN CCn1cc(N[C@@H]2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000035780276 172187008 /nfs/dbraw/zinc/18/70/08/172187008.db2.gz FBUKOHZUCKQOCS-VXGBXAGGSA-N 0 0 235.375 3.530 10 0 BHAERN CCn1cc(N[C@H]2C[C@@H](C)CC(C)(C)C2)cn1 ZINC000035780277 172188335 /nfs/dbraw/zinc/18/83/35/172188335.db2.gz FBUKOHZUCKQOCS-NEPJUHHUSA-N 0 0 235.375 3.530 10 0 BHAERN CCn1cc(N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cn1 ZINC000035780900 172187265 /nfs/dbraw/zinc/18/72/65/172187265.db2.gz QYXMBYPPXRXORP-BPLDGKMQSA-N 0 0 249.402 3.776 10 0 BHAERN CCn1cc(N[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cn1 ZINC000035780903 172187980 /nfs/dbraw/zinc/18/79/80/172187980.db2.gz QYXMBYPPXRXORP-YUELXQCFSA-N 0 0 249.402 3.776 10 0 BHAERN CCn1cc(N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cn1 ZINC000035780905 172186234 /nfs/dbraw/zinc/18/62/34/172186234.db2.gz QYXMBYPPXRXORP-NWANDNLSSA-N 0 0 249.402 3.776 10 0 BHAERN CCn1cc(N[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cn1 ZINC000035780906 172188499 /nfs/dbraw/zinc/18/84/99/172188499.db2.gz QYXMBYPPXRXORP-CFVMTHIKSA-N 0 0 249.402 3.776 10 0 BHAERN CCn1cc(N[C@@H]2CCCC[C@@H]2C(C)(C)C)cn1 ZINC000035780924 172186579 /nfs/dbraw/zinc/18/65/79/172186579.db2.gz SKXZNWVCNPUVIW-UONOGXRCSA-N 0 0 249.402 3.920 10 0 BHAERN CCn1cc(N[C@H]2CCCC[C@@H]2C(C)(C)C)cn1 ZINC000035780926 172187964 /nfs/dbraw/zinc/18/79/64/172187964.db2.gz SKXZNWVCNPUVIW-KBPBESRZSA-N 0 0 249.402 3.920 10 0 BHAERN CCn1cc(N[C@@H]2CCCC[C@H]2C(C)(C)C)cn1 ZINC000035780929 172187175 /nfs/dbraw/zinc/18/71/75/172187175.db2.gz SKXZNWVCNPUVIW-ZIAGYGMSSA-N 0 0 249.402 3.920 10 0 BHAERN CCn1cc(N[C@H]2CCCC[C@H]2C(C)(C)C)cn1 ZINC000035780932 172187821 /nfs/dbraw/zinc/18/78/21/172187821.db2.gz SKXZNWVCNPUVIW-KGLIPLIRSA-N 0 0 249.402 3.920 10 0 BHAERN CCn1cc(NC2CCC(C(C)(C)C)CC2)cn1 ZINC000035780962 172186045 /nfs/dbraw/zinc/18/60/45/172186045.db2.gz YMCBLBNBNLNKJS-UHFFFAOYSA-N 0 0 249.402 3.920 10 0 BHAERN CC(C)CCC=C1CCC2(CC1)OCCO2 ZINC000035784968 342782849 /nfs/dbraw/zinc/78/28/49/342782849.db2.gz RCXYBYVAMJJNGZ-UHFFFAOYSA-N 0 0 224.344 3.666 10 0 BHAERN c1ccc2c(c1)CC[C@@H]2Nc1nc2ccccc2[nH]1 ZINC000035785455 398328102 /nfs/dbraw/zinc/32/81/02/398328102.db2.gz HKNYQXBYCKKHDB-ZDUSSCGKSA-N 0 0 249.317 3.662 10 0 BHAERN c1ccc2c(c1)CC[C@H]2Nc1nc2ccccc2[nH]1 ZINC000035785458 398328153 /nfs/dbraw/zinc/32/81/53/398328153.db2.gz HKNYQXBYCKKHDB-CYBMUJFWSA-N 0 0 249.317 3.662 10 0 BHAERN Cc1cccc2[nH]c(C(Cl)(Cl)Cl)nc21 ZINC000035803929 383876363 /nfs/dbraw/zinc/87/63/63/383876363.db2.gz CTBHTPQCCMGLKI-UHFFFAOYSA-N 0 0 249.528 3.698 10 0 BHAERN CC(C)CC(=O)c1ccc(C(F)(F)F)cc1 ZINC000035855437 166775887 /nfs/dbraw/zinc/77/58/87/166775887.db2.gz ZZMMGNSGIPPFKM-UHFFFAOYSA-N 0 0 230.229 3.934 10 0 BHAERN O=[N+]([O-])c1ccc(Cl)c(Cc2ccccc2)c1 ZINC000035855718 342787406 /nfs/dbraw/zinc/78/74/06/342787406.db2.gz YDRARYLGGXGZBX-UHFFFAOYSA-N 0 0 247.681 3.839 10 0 BHAERN Cc1cc(C(=O)c2ccccc2)sc1C ZINC000035874588 343305159 /nfs/dbraw/zinc/30/51/59/343305159.db2.gz PEJNBKPYWHSAFR-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN CCOP(=O)(OCC)O[C@H]1C=CCCCC1 ZINC000035874872 342797707 /nfs/dbraw/zinc/79/77/07/342797707.db2.gz OOIDLPOLIUKMFL-NSHDSACASA-N 0 0 248.259 3.683 10 0 BHAERN CCOP(=O)(OCC)O[C@@H]1C=CCCCC1 ZINC000035874873 342797680 /nfs/dbraw/zinc/79/76/80/342797680.db2.gz OOIDLPOLIUKMFL-LLVKDONJSA-N 0 0 248.259 3.683 10 0 BHAERN Nc1ccccc1-c1ccc(F)c(Cl)c1 ZINC000035904817 342804845 /nfs/dbraw/zinc/80/48/45/342804845.db2.gz QBVDQOUVCUSMQZ-UHFFFAOYSA-N 0 0 221.662 3.728 10 0 BHAERN COc1ccc(C(F)F)c2ccccc12 ZINC000035940199 359661117 /nfs/dbraw/zinc/66/11/17/359661117.db2.gz KNEUPBDXNNKYHB-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN c1ccc(Nc2nccc(-c3ccccc3)n2)cc1 ZINC000035994314 183419117 /nfs/dbraw/zinc/41/91/17/183419117.db2.gz MUJKUTZQKCWMHD-UHFFFAOYSA-N 0 0 247.301 3.887 10 0 BHAERN COc1cc(Cl)cc2c(Cl)ccnc12 ZINC000036075605 343308302 /nfs/dbraw/zinc/30/83/02/343308302.db2.gz GDXNFNKPSDHMER-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN COc1ccc(Cl)c2nccc(Cl)c12 ZINC000036075610 175119511 /nfs/dbraw/zinc/11/95/11/175119511.db2.gz XLLFNOPKTYVFBM-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN COc1ccc(Cl)c2nc(C)cc(Cl)c12 ZINC000036075656 175119413 /nfs/dbraw/zinc/11/94/13/175119413.db2.gz ADYQOPXQIXGZBF-UHFFFAOYSA-N 0 0 242.105 3.859 10 0 BHAERN Cc1ccccc1CN(C)c1ccc(N)cc1C ZINC000036131510 179271831 /nfs/dbraw/zinc/27/18/31/179271831.db2.gz IXHVVXBLQAWFND-UHFFFAOYSA-N 0 0 240.350 3.522 10 0 BHAERN Nc1cccc(N2CCC[C@H]2c2ccccc2)c1 ZINC000036132265 181745733 /nfs/dbraw/zinc/74/57/33/181745733.db2.gz VGVJYZJCZFWUAE-INIZCTEOSA-N 0 0 238.334 3.610 10 0 BHAERN CCC(=O)c1ccc(CC)c(Br)c1 ZINC000036154854 168256342 /nfs/dbraw/zinc/25/63/42/168256342.db2.gz QTQJEBKQBMGMRH-UHFFFAOYSA-N 0 0 241.128 3.604 10 0 BHAERN Cc1ccc(C(=O)C(C)C)cc1Br ZINC000036154858 178371242 /nfs/dbraw/zinc/37/12/42/178371242.db2.gz ALCJNENGQSXOQF-UHFFFAOYSA-N 0 0 241.128 3.596 10 0 BHAERN C[C@@H]1CCc2nc(-c3ccccc3O)sc2C1 ZINC000036155379 176240432 /nfs/dbraw/zinc/24/04/32/176240432.db2.gz WLQJPIYIMPDQEI-SECBINFHSA-N 0 0 245.347 3.641 10 0 BHAERN C[C@H]1CCc2nc(-c3ccccc3O)sc2C1 ZINC000036155382 177210001 /nfs/dbraw/zinc/21/00/01/177210001.db2.gz WLQJPIYIMPDQEI-VIFPVBQESA-N 0 0 245.347 3.641 10 0 BHAERN CC(C)[C@H](CO)c1ccc(Cl)cc1Cl ZINC000036156013 187767587 /nfs/dbraw/zinc/76/75/87/187767587.db2.gz NHPHLJLENIKNCP-JTQLQIEISA-N 0 0 233.138 3.725 10 0 BHAERN CCN(CC)c1ccc(C)c(Br)c1 ZINC000036156120 259312139 /nfs/dbraw/zinc/31/21/39/259312139.db2.gz PIDKDOWAISFGQM-UHFFFAOYSA-N 0 0 242.160 3.604 10 0 BHAERN CCCCc1ccc(C(=O)C2CC2)cc1 ZINC000036157428 360681907 /nfs/dbraw/zinc/68/19/07/360681907.db2.gz YRPQOZQADQKHGK-UHFFFAOYSA-N 0 0 202.297 3.622 10 0 BHAERN CCCc1ccc(C(=O)C2CCC2)cc1 ZINC000036157441 187768183 /nfs/dbraw/zinc/76/81/83/187768183.db2.gz IDYHLFXJBKEDBE-UHFFFAOYSA-N 0 0 202.297 3.622 10 0 BHAERN CCCCC(=O)c1ccc(Cl)s1 ZINC000036157454 360682097 /nfs/dbraw/zinc/68/20/97/360682097.db2.gz GYIQAZINTZNDAM-UHFFFAOYSA-N 0 0 202.706 3.774 10 0 BHAERN CC(C)c1ccc([C@@H](O)C2CCC2)cc1 ZINC000036157572 167614011 /nfs/dbraw/zinc/61/40/11/167614011.db2.gz WGCHKJURVVBSOP-AWEZNQCLSA-N 0 0 204.313 3.644 10 0 BHAERN Cc1ccc([C@H](O)C2CCCC2)c(C)c1 ZINC000036157575 178911369 /nfs/dbraw/zinc/91/13/69/178911369.db2.gz HTEIOZXVYNSRKJ-CQSZACIVSA-N 0 0 204.313 3.527 10 0 BHAERN CC[C@@H](C)c1ccc([C@@H](O)C2CC2)cc1 ZINC000036157640 170805298 /nfs/dbraw/zinc/80/52/98/170805298.db2.gz YEWCHHMTEOKQAQ-QMTHXVAHSA-N 0 0 204.313 3.644 10 0 BHAERN CC[C@H](C)c1ccc([C@@H](O)C2CC2)cc1 ZINC000036157642 171411431 /nfs/dbraw/zinc/41/14/31/171411431.db2.gz YEWCHHMTEOKQAQ-IINYFYTJSA-N 0 0 204.313 3.644 10 0 BHAERN CCCC[C@H](O)c1ccc(Cl)s1 ZINC000036157681 169012893 /nfs/dbraw/zinc/01/28/93/169012893.db2.gz LUHUWBMWBJNJHR-ZETCQYMHSA-N 0 0 204.722 3.625 10 0 BHAERN CC(C)Cc1ccc([C@H](O)C(C)C)cc1 ZINC000036158048 188104146 /nfs/dbraw/zinc/10/41/46/188104146.db2.gz RWACRZIVRUDHRC-CQSZACIVSA-N 0 0 206.329 3.575 10 0 BHAERN CCCC[C@H](O)c1ccc(CCC)cc1 ZINC000036158061 169013437 /nfs/dbraw/zinc/01/34/37/169013437.db2.gz JNISTBZBTBRZST-AWEZNQCLSA-N 0 0 206.329 3.863 10 0 BHAERN CC[C@@H](C)c1ccc([C@H](O)C(C)C)cc1 ZINC000036158074 170805311 /nfs/dbraw/zinc/80/53/11/170805311.db2.gz RAQQAFRWOGKHAU-BXUZGUMPSA-N 0 0 206.329 3.890 10 0 BHAERN CC[C@H](C)c1ccc([C@@H](O)C(C)C)cc1 ZINC000036158084 171411129 /nfs/dbraw/zinc/41/11/29/171411129.db2.gz RAQQAFRWOGKHAU-FZMZJTMJSA-N 0 0 206.329 3.890 10 0 BHAERN CCCC[C@H](O)c1c(C)cc(C)cc1C ZINC000036158115 169013464 /nfs/dbraw/zinc/01/34/64/169013464.db2.gz YVKZNQDXNXXOKS-ZDUSSCGKSA-N 0 0 206.329 3.835 10 0 BHAERN CCCC[C@@H](O)c1c(C)cc(C)cc1C ZINC000036158119 360683148 /nfs/dbraw/zinc/68/31/48/360683148.db2.gz YVKZNQDXNXXOKS-CYBMUJFWSA-N 0 0 206.329 3.835 10 0 BHAERN O=C(c1ccc(Cl)s1)C1CCCC1 ZINC000036159234 182659790 /nfs/dbraw/zinc/65/97/90/182659790.db2.gz MLPDHOYYNZCPLJ-UHFFFAOYSA-N 0 0 214.717 3.774 10 0 BHAERN CC(C)Cc1ccc(C(=O)C2CCC2)cc1 ZINC000036159440 360683405 /nfs/dbraw/zinc/68/34/05/360683405.db2.gz KQFWPKSWMWEOTJ-UHFFFAOYSA-N 0 0 216.324 3.868 10 0 BHAERN Cc1cc(C)c(C(=O)C2CCCC2)c(C)c1 ZINC000036159480 177839087 /nfs/dbraw/zinc/83/90/87/177839087.db2.gz SBZGGUQMHCHROK-UHFFFAOYSA-N 0 0 216.324 3.985 10 0 BHAERN O[C@@H](c1ccc(Cl)s1)C1CCCC1 ZINC000036159499 183184616 /nfs/dbraw/zinc/18/46/16/183184616.db2.gz XDUXBTKDGOPCNG-SNVBAGLBSA-N 0 0 216.733 3.625 10 0 BHAERN O[C@H](c1ccc(Cl)s1)C1CCCC1 ZINC000036159502 183228518 /nfs/dbraw/zinc/22/85/18/183228518.db2.gz XDUXBTKDGOPCNG-JTQLQIEISA-N 0 0 216.733 3.625 10 0 BHAERN CCCC[C@H](O)c1ccc2c(c1)CCCC2 ZINC000036159750 169013100 /nfs/dbraw/zinc/01/31/00/169013100.db2.gz IKWWWOSWSKHZKX-HNNXBMFYSA-N 0 0 218.340 3.789 10 0 BHAERN Cc1ccc([C@H](O)C2CCCCC2)c(C)c1 ZINC000036159757 178911910 /nfs/dbraw/zinc/91/19/10/178911910.db2.gz KNKLQKRKFDSTGN-OAHLLOKOSA-N 0 0 218.340 3.917 10 0 BHAERN CCCCc1ccc([C@H](O)C2CCC2)cc1 ZINC000036159771 169023852 /nfs/dbraw/zinc/02/38/52/169023852.db2.gz WGZWVBNNEXGOAI-OAHLLOKOSA-N 0 0 218.340 3.863 10 0 BHAERN CCCCc1ccc([C@@H](O)C2CCC2)cc1 ZINC000036159774 169023135 /nfs/dbraw/zinc/02/31/35/169023135.db2.gz WGZWVBNNEXGOAI-HNNXBMFYSA-N 0 0 218.340 3.863 10 0 BHAERN CCCc1ccc([C@@H](O)C2CCCC2)cc1 ZINC000036159790 169574830 /nfs/dbraw/zinc/57/48/30/169574830.db2.gz IWEDCZFYKMBRBM-HNNXBMFYSA-N 0 0 218.340 3.863 10 0 BHAERN CCCCC(=O)c1cc(C)c(OC)cc1C ZINC000036160298 360684246 /nfs/dbraw/zinc/68/42/46/360684246.db2.gz XIGLEBZPNRLXAS-UHFFFAOYSA-N 0 0 220.312 3.685 10 0 BHAERN COc1cc(C)c(C(=O)CC(C)C)cc1C ZINC000036160303 360684585 /nfs/dbraw/zinc/68/45/85/360684585.db2.gz CSSCBFMHNPBYEU-UHFFFAOYSA-N 0 0 220.312 3.541 10 0 BHAERN CCCC[C@H](O)c1cc(C)c(OC)cc1C ZINC000036161199 169013346 /nfs/dbraw/zinc/01/33/46/169013346.db2.gz ZDIJMNMMPVIDQC-ZDUSSCGKSA-N 0 0 222.328 3.536 10 0 BHAERN CCCC[C@H](O)c1cc(Cl)ccc1OC ZINC000036162115 169013175 /nfs/dbraw/zinc/01/31/75/169013175.db2.gz KVZGUAUUADUJNB-NSHDSACASA-N 0 0 228.719 3.572 10 0 BHAERN O[C@@H](c1ccc2c(c1)CCC2)C1CCCCC1 ZINC000036162308 183184603 /nfs/dbraw/zinc/18/46/03/183184603.db2.gz HQZBLRIBYCDFCU-MRXNPFEDSA-N 0 0 230.351 3.789 10 0 BHAERN O[C@H](c1ccc2c(c1)CCC2)C1CCCCC1 ZINC000036162311 183229694 /nfs/dbraw/zinc/22/96/94/183229694.db2.gz HQZBLRIBYCDFCU-INIZCTEOSA-N 0 0 230.351 3.789 10 0 BHAERN COc1cc(C)c(C(=O)C2CCCC2)cc1C ZINC000036162704 343967901 /nfs/dbraw/zinc/96/79/01/343967901.db2.gz JLZZNVGXSKWCGW-UHFFFAOYSA-N 0 0 232.323 3.685 10 0 BHAERN COc1cc(C)c([C@@H](O)C2CCCC2)cc1C ZINC000036163282 174961638 /nfs/dbraw/zinc/96/16/38/174961638.db2.gz WWGWAGUWDFRUNA-HNNXBMFYSA-N 0 0 234.339 3.536 10 0 BHAERN COc1ccc(C(=O)C2CCCC2)cc1Cl ZINC000036164185 175053233 /nfs/dbraw/zinc/05/32/33/175053233.db2.gz UAZUAFMHWXDCDT-UHFFFAOYSA-N 0 0 238.714 3.722 10 0 BHAERN COc1ccc(Cl)cc1C(=O)C1CCCC1 ZINC000036164188 175119799 /nfs/dbraw/zinc/11/97/99/175119799.db2.gz XLSOMGKUIKUIKM-UHFFFAOYSA-N 0 0 238.714 3.722 10 0 BHAERN COc1ccc([C@H](O)C2CCCC2)cc1Cl ZINC000036164368 175193054 /nfs/dbraw/zinc/19/30/54/175193054.db2.gz JCLJDDWOUCDCPY-CYBMUJFWSA-N 0 0 240.730 3.572 10 0 BHAERN COc1ccc([C@@H](O)C2CCCC2)cc1Cl ZINC000036164370 175180618 /nfs/dbraw/zinc/18/06/18/175180618.db2.gz JCLJDDWOUCDCPY-ZDUSSCGKSA-N 0 0 240.730 3.572 10 0 BHAERN COc1ccc(Cl)cc1[C@H](O)C1CCCC1 ZINC000036164373 175123058 /nfs/dbraw/zinc/12/30/58/175123058.db2.gz FZFGPHWXPNMWQB-CYBMUJFWSA-N 0 0 240.730 3.572 10 0 BHAERN COc1ccc(Cl)cc1[C@@H](O)C1CCCC1 ZINC000036164376 175122093 /nfs/dbraw/zinc/12/20/93/175122093.db2.gz FZFGPHWXPNMWQB-ZDUSSCGKSA-N 0 0 240.730 3.572 10 0 BHAERN CCCOc1ccc(-c2ccc(Cl)nn2)cc1 ZINC000036168365 169316482 /nfs/dbraw/zinc/31/64/82/169316482.db2.gz JJYIRCPNCJCXDF-UHFFFAOYSA-N 0 0 248.713 3.586 10 0 BHAERN CC(C)Oc1ccc(-c2ccc(Cl)nn2)cc1 ZINC000036168366 167288394 /nfs/dbraw/zinc/28/83/94/167288394.db2.gz WCJJCFOGDBBWIA-UHFFFAOYSA-N 0 0 248.713 3.584 10 0 BHAERN CC[C@@H]1CCCN(c2ccccc2C(C)=O)C1 ZINC000036169810 132340197 /nfs/dbraw/zinc/34/01/97/132340197.db2.gz FFLDLGQFHGSTJI-CYBMUJFWSA-N 0 0 231.339 3.516 10 0 BHAERN CC[C@H]1CCCN(c2ccccc2C(C)=O)C1 ZINC000036169811 132340297 /nfs/dbraw/zinc/34/02/97/132340297.db2.gz FFLDLGQFHGSTJI-ZDUSSCGKSA-N 0 0 231.339 3.516 10 0 BHAERN CCCCC(=O)c1ccc(Br)s1 ZINC000036171611 360703531 /nfs/dbraw/zinc/70/35/31/360703531.db2.gz GRKZHCCIUOIIAQ-UHFFFAOYSA-N 0 0 247.157 3.884 10 0 BHAERN CC(C)CC(=O)c1ccc(Br)s1 ZINC000036171613 166775011 /nfs/dbraw/zinc/77/50/11/166775011.db2.gz QBBIFGQGQCCROM-UHFFFAOYSA-N 0 0 247.157 3.739 10 0 BHAERN COc1cc(C)c([C@@H](O)C2CCCCC2)cc1C ZINC000036171945 174961546 /nfs/dbraw/zinc/96/15/46/174961546.db2.gz OVTAMNXZFRHPDT-INIZCTEOSA-N 0 0 248.366 3.926 10 0 BHAERN CC(C)C[C@H](O)c1ccc(Br)s1 ZINC000036171986 188468281 /nfs/dbraw/zinc/46/82/81/188468281.db2.gz UEVXSQIJFFCOJX-ZETCQYMHSA-N 0 0 249.173 3.590 10 0 BHAERN CC(C)C[C@@H](O)c1ccc(Br)s1 ZINC000036171988 343967391 /nfs/dbraw/zinc/96/73/91/343967391.db2.gz UEVXSQIJFFCOJX-SSDOTTSWSA-N 0 0 249.173 3.590 10 0 BHAERN CCCC[C@H](O)c1ccc(Br)s1 ZINC000036171990 169012653 /nfs/dbraw/zinc/01/26/53/169012653.db2.gz VDASKMWBTMTQDD-ZETCQYMHSA-N 0 0 249.173 3.734 10 0 BHAERN CCCC[C@@H](O)c1ccc(Br)s1 ZINC000036171992 168974595 /nfs/dbraw/zinc/97/45/95/168974595.db2.gz VDASKMWBTMTQDD-SSDOTTSWSA-N 0 0 249.173 3.734 10 0 BHAERN CC(C)CC(=O)c1c(F)cccc1Cl ZINC000036179779 166774526 /nfs/dbraw/zinc/77/45/26/166774526.db2.gz WJIBBGBVRWLNKE-UHFFFAOYSA-N 0 0 214.667 3.708 10 0 BHAERN CCCCC(=O)c1cccc(Br)c1 ZINC000036179804 168630041 /nfs/dbraw/zinc/63/00/41/168630041.db2.gz QRPXLSDPOZQSKX-UHFFFAOYSA-N 0 0 241.128 3.822 10 0 BHAERN CCSCC(=O)c1cc(Cl)ccc1Cl ZINC000036179874 170625688 /nfs/dbraw/zinc/62/56/88/170625688.db2.gz JWVFMDDGRGFIKM-UHFFFAOYSA-N 0 0 249.162 3.929 10 0 BHAERN Cc1ccc(C(=O)c2cccs2)c(C)c1 ZINC000036180340 487683838 /nfs/dbraw/zinc/68/38/38/487683838.db2.gz CKYUULSFZGRJSS-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN Cc1ccc(C)c(C(=O)CSC(C)C)c1 ZINC000036180350 178464199 /nfs/dbraw/zinc/46/41/99/178464199.db2.gz PLWFVWQKMPKNAB-UHFFFAOYSA-N 0 0 222.353 3.628 10 0 BHAERN CCCSCC(=O)c1cc(C)ccc1C ZINC000036180373 169339420 /nfs/dbraw/zinc/33/94/20/169339420.db2.gz ZIOBNRHOCAEAST-UHFFFAOYSA-N 0 0 222.353 3.629 10 0 BHAERN Cc1ccc(C(=O)CSC(C)C)cc1C ZINC000036180381 178373918 /nfs/dbraw/zinc/37/39/18/178373918.db2.gz CRZLVUJBCXQANC-UHFFFAOYSA-N 0 0 222.353 3.628 10 0 BHAERN CCCSCC(=O)c1ccc(C)c(C)c1 ZINC000036180402 169339725 /nfs/dbraw/zinc/33/97/25/169339725.db2.gz YSLUVVAXEKQPIA-UHFFFAOYSA-N 0 0 222.353 3.629 10 0 BHAERN CCc1ccc(C(=O)CSC(C)C)cc1 ZINC000036180490 171782900 /nfs/dbraw/zinc/78/29/00/171782900.db2.gz PAVUBAGNMITLBJ-UHFFFAOYSA-N 0 0 222.353 3.573 10 0 BHAERN CCCSCC(=O)c1ccc(CC)cc1 ZINC000036180511 169339817 /nfs/dbraw/zinc/33/98/17/169339817.db2.gz QDROTSRPXFEMOC-UHFFFAOYSA-N 0 0 222.353 3.575 10 0 BHAERN CCCCCCc1ccc(C(=O)COC)cc1 ZINC000036180521 360704179 /nfs/dbraw/zinc/70/41/79/360704179.db2.gz IYLQUHYMCSFCRD-UHFFFAOYSA-N 0 0 234.339 3.639 10 0 BHAERN CCCOc1ccc(C(=O)c2cccs2)cc1 ZINC000036180657 169317072 /nfs/dbraw/zinc/31/70/72/169317072.db2.gz YEGQRFJRUPYQGX-UHFFFAOYSA-N 0 0 246.331 3.768 10 0 BHAERN CCCC(=O)c1c(OC)ccc2ccccc21 ZINC000036183010 360707921 /nfs/dbraw/zinc/70/79/21/360707921.db2.gz VOQMUESSKHLKPF-UHFFFAOYSA-N 0 0 228.291 3.831 10 0 BHAERN COCCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000036183250 174139180 /nfs/dbraw/zinc/13/91/80/174139180.db2.gz RLBDGUXMGOUMSD-UHFFFAOYSA-N 0 0 240.302 3.573 10 0 BHAERN Cc1cc(C)c(C(=O)CSC(C)C)c(C)c1 ZINC000036193591 177840337 /nfs/dbraw/zinc/84/03/37/177840337.db2.gz DZEMFOHPPFJOTN-UHFFFAOYSA-N 0 0 236.380 3.936 10 0 BHAERN CCCSCC(=O)c1c(C)cc(C)cc1C ZINC000036193618 169338974 /nfs/dbraw/zinc/33/89/74/169338974.db2.gz GYKXZYDYIHOOHF-UHFFFAOYSA-N 0 0 236.380 3.938 10 0 BHAERN CCSCC(=O)c1c(C)cc(C)cc1C ZINC000036193620 360710990 /nfs/dbraw/zinc/71/09/90/360710990.db2.gz RWYULPQJWBQRQR-UHFFFAOYSA-N 0 0 222.353 3.548 10 0 BHAERN CCCC(=O)c1c(C)c(C)cc(C)c1C ZINC000036193626 168571178 /nfs/dbraw/zinc/57/11/78/168571178.db2.gz JRNDVJPKAKWUJM-UHFFFAOYSA-N 0 0 204.313 3.903 10 0 BHAERN Cc1cc(N)ccc1OCc1ccc(Cl)cc1 ZINC000036194476 178107295 /nfs/dbraw/zinc/10/72/95/178107295.db2.gz HTIUQPWDTNILPL-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN Cc1cc(N)ccc1OCc1ccccc1Cl ZINC000036194515 178107656 /nfs/dbraw/zinc/10/76/56/178107656.db2.gz WHGUUDDSQVAJMW-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN Oc1ccc(OCc2ccccc2Cl)cc1 ZINC000036194736 183277317 /nfs/dbraw/zinc/27/73/17/183277317.db2.gz NXYCUTJNNPJDRC-UHFFFAOYSA-N 0 0 234.682 3.625 10 0 BHAERN Oc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000036194774 183277353 /nfs/dbraw/zinc/27/73/53/183277353.db2.gz QKXVDKRVUDDHPC-UHFFFAOYSA-N 0 0 234.682 3.625 10 0 BHAERN O=C(CSC1CCCCC1)c1cccs1 ZINC000036196811 182008525 /nfs/dbraw/zinc/00/85/25/182008525.db2.gz IJVSHWPXEMNVGX-UHFFFAOYSA-N 0 0 240.393 3.997 10 0 BHAERN CCC(CC)CN(CC)c1ccc(C)cc1N ZINC000036197513 168350091 /nfs/dbraw/zinc/35/00/91/168350091.db2.gz LGZKIQHUEOGVOE-UHFFFAOYSA-N 0 0 234.387 3.840 10 0 BHAERN CCC(CC)CN(CC)c1ccc(F)cc1N ZINC000036197557 168349907 /nfs/dbraw/zinc/34/99/07/168349907.db2.gz USECAGWJXMSKFX-UHFFFAOYSA-N 0 0 238.350 3.670 10 0 BHAERN CC(C)CN(CC(C)C)c1ccc(N)cc1F ZINC000036197669 166949796 /nfs/dbraw/zinc/94/97/96/166949796.db2.gz YRECZJFWPIDZCI-UHFFFAOYSA-N 0 0 238.350 3.526 10 0 BHAERN CCCC(=O)c1ccc(SCC)cc1 ZINC000036198159 360711056 /nfs/dbraw/zinc/71/10/56/360711056.db2.gz GHPIOUBXDKPSRT-UHFFFAOYSA-N 0 0 208.326 3.781 10 0 BHAERN COc1cc(C)c(C(=O)c2cccs2)cc1C ZINC000036200495 174954257 /nfs/dbraw/zinc/95/42/57/174954257.db2.gz KVELXIHXNMMSSF-UHFFFAOYSA-N 0 0 246.331 3.605 10 0 BHAERN CCCN(CCC)c1ccc(C(=O)CC)cc1 ZINC000036203033 169152370 /nfs/dbraw/zinc/15/23/70/169152370.db2.gz CQAWGRDSBKHREM-UHFFFAOYSA-N 0 0 233.355 3.906 10 0 BHAERN Cc1nc2scc(C3CC3)c2c(Cl)n1 ZINC000036226145 640416602 /nfs/dbraw/zinc/41/66/02/640416602.db2.gz OORYXDHMURYMHT-UHFFFAOYSA-N 0 0 224.716 3.531 10 0 BHAERN OCCCCOc1ccc(-c2ccccc2)cc1 ZINC000036230454 343972919 /nfs/dbraw/zinc/97/29/19/343972919.db2.gz LDHCMYHXKTWKHI-UHFFFAOYSA-N 0 0 242.318 3.505 10 0 BHAERN CC(=O)CCOc1ccc(-c2ccccc2)cc1 ZINC000036230597 343973125 /nfs/dbraw/zinc/97/31/25/343973125.db2.gz CWKDMTOWGPMWEB-UHFFFAOYSA-N 0 0 240.302 3.712 10 0 BHAERN Cc1ccc(N)c(Nc2ccc(C)c(Cl)c2)n1 ZINC000036243019 178704517 /nfs/dbraw/zinc/70/45/17/178704517.db2.gz KTPVBWDEPOUOLI-UHFFFAOYSA-N 0 0 247.729 3.678 10 0 BHAERN Cc1ccc(Oc2ncc(Cl)cc2N)cc1C ZINC000036243117 178822281 /nfs/dbraw/zinc/82/22/81/178822281.db2.gz XHQGFNBPPDDSAG-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN Cc1cc(Oc2ncc(N)cc2C)ccc1Cl ZINC000036243217 178215488 /nfs/dbraw/zinc/21/54/88/178215488.db2.gz ZZAQAFDDQLVBLL-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN Cc1cc(N)cnc1Oc1ccc(C(C)C)cc1 ZINC000036243225 178108490 /nfs/dbraw/zinc/10/84/90/178108490.db2.gz GZGINKAJMDUIFT-UHFFFAOYSA-N 0 0 242.322 3.888 10 0 BHAERN Cc1cc(N)cnc1Oc1cccc(C(C)C)c1 ZINC000036243230 178108420 /nfs/dbraw/zinc/10/84/20/178108420.db2.gz NQUDSHWMVTWGCH-UHFFFAOYSA-N 0 0 242.322 3.888 10 0 BHAERN Cc1cc(Nc2ccc(Cl)cc2C)ncc1N ZINC000036251283 178191806 /nfs/dbraw/zinc/19/18/06/178191806.db2.gz UXKCAHGXGZLQTH-UHFFFAOYSA-N 0 0 247.729 3.678 10 0 BHAERN Cc1ccc(Cl)cc1Nc1cc(C)c(N)cn1 ZINC000036251311 178191739 /nfs/dbraw/zinc/19/17/39/178191739.db2.gz HGKJUIFTWWYSQJ-UHFFFAOYSA-N 0 0 247.729 3.678 10 0 BHAERN Cc1cc(Nc2cccc(Cl)c2C)ncc1N ZINC000036251313 178194328 /nfs/dbraw/zinc/19/43/28/178194328.db2.gz SIBJBBBFQICSRQ-UHFFFAOYSA-N 0 0 247.729 3.678 10 0 BHAERN Cc1cc(Nc2ccc(C(C)C)cc2)ncc1N ZINC000036251348 178192273 /nfs/dbraw/zinc/19/22/73/178192273.db2.gz VJVXHFKFIZMBSH-UHFFFAOYSA-N 0 0 241.338 3.839 10 0 BHAERN Cc1cc(Nc2ccccc2C(C)C)ncc1N ZINC000036251381 178194273 /nfs/dbraw/zinc/19/42/73/178194273.db2.gz CYERXFPTUSZYPM-UHFFFAOYSA-N 0 0 241.338 3.839 10 0 BHAERN Cc1ccc(Nc2cc(C)c(N)cn2)cc1Cl ZINC000036251383 178192278 /nfs/dbraw/zinc/19/22/78/178192278.db2.gz YJLMGCBHXHHRIV-UHFFFAOYSA-N 0 0 247.729 3.678 10 0 BHAERN Cc1cc(Cl)ccc1Nc1ccc(N)c(C)n1 ZINC000036251517 178068689 /nfs/dbraw/zinc/06/86/89/178068689.db2.gz JBRAMAIODOHWAT-UHFFFAOYSA-N 0 0 247.729 3.678 10 0 BHAERN Cc1ccc(Cl)cc1Nc1ccc(N)c(C)n1 ZINC000036251595 178664183 /nfs/dbraw/zinc/66/41/83/178664183.db2.gz QJTAUXFGXQKTSO-UHFFFAOYSA-N 0 0 247.729 3.678 10 0 BHAERN Cc1cc(C)c(Nc2ccc(N)c(C)n2)c(C)c1 ZINC000036251614 177867036 /nfs/dbraw/zinc/86/70/36/177867036.db2.gz QROSDZAVXRAGFI-UHFFFAOYSA-N 0 0 241.338 3.641 10 0 BHAERN Cc1nc(Nc2ccc(C(C)C)cc2)ccc1N ZINC000036251649 187258992 /nfs/dbraw/zinc/25/89/92/187258992.db2.gz WDAKAUNGPHUZQR-UHFFFAOYSA-N 0 0 241.338 3.839 10 0 BHAERN Cc1cc(Oc2nccc(C)c2N)ccc1Cl ZINC000036251780 178215334 /nfs/dbraw/zinc/21/53/34/178215334.db2.gz LYECWBBBXBBSPV-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN Cc1ccnc(Oc2cccc(C(C)C)c2)c1N ZINC000036251804 179463893 /nfs/dbraw/zinc/46/38/93/179463893.db2.gz XQEUNJLQXSEPSO-UHFFFAOYSA-N 0 0 242.322 3.888 10 0 BHAERN Cc1cc(Oc2ccc(Cl)c(C)c2)ncc1N ZINC000036251843 178214255 /nfs/dbraw/zinc/21/42/55/178214255.db2.gz KMBMBWAHQXTYHY-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN Cc1cc(Oc2ccc(C(C)C)cc2)ncc1N ZINC000036251857 178214810 /nfs/dbraw/zinc/21/48/10/178214810.db2.gz DQKVHVWUBYLQIY-UHFFFAOYSA-N 0 0 242.322 3.888 10 0 BHAERN Cc1cc(Oc2ccc(Cl)cc2C)ncc1N ZINC000036251860 178214923 /nfs/dbraw/zinc/21/49/23/178214923.db2.gz PWRWISWXXIPLGG-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN Cc1ccc(C)c(Oc2cc(C)c(N)cn2)c1C ZINC000036251864 178214092 /nfs/dbraw/zinc/21/40/92/178214092.db2.gz KLCPISAJQXUXOW-UHFFFAOYSA-N 0 0 242.322 3.690 10 0 BHAERN Cc1cc(Oc2cccc(C(C)C)c2)ncc1N ZINC000036251874 178214130 /nfs/dbraw/zinc/21/41/30/178214130.db2.gz MWEWOFWVRWBSOY-UHFFFAOYSA-N 0 0 242.322 3.888 10 0 BHAERN Cc1cc(Oc2ccc(N)c(C)n2)ccc1Cl ZINC000036251902 178214918 /nfs/dbraw/zinc/21/49/18/178214918.db2.gz KKCWOUCIPJAEIN-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN Cc1nc(Oc2ccc(C(C)C)cc2)ccc1N ZINC000036251919 180029635 /nfs/dbraw/zinc/02/96/35/180029635.db2.gz BTSDWIHEHUEUAO-UHFFFAOYSA-N 0 0 242.322 3.888 10 0 BHAERN Cc1cc(Cl)ccc1Oc1ccc(N)c(C)n1 ZINC000036251923 178069732 /nfs/dbraw/zinc/06/97/32/178069732.db2.gz PIWZUPOABAVEGM-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN Cc1nc(Oc2cccc(C(C)C)c2)ccc1N ZINC000036251939 180028923 /nfs/dbraw/zinc/02/89/23/180028923.db2.gz CKTHGQWYNSCEIH-UHFFFAOYSA-N 0 0 242.322 3.888 10 0 BHAERN CCCOc1ccc2c(ccnc2Cl)c1 ZINC000036257976 169323467 /nfs/dbraw/zinc/32/34/67/169323467.db2.gz HTFDPMRYGWTTDW-UHFFFAOYSA-N 0 0 221.687 3.677 10 0 BHAERN C=CC(=O)N1c2ccccc2CCc2ccccc21 ZINC000036334968 187258762 /nfs/dbraw/zinc/25/87/62/187258762.db2.gz WRQLJXHDOXWNEE-UHFFFAOYSA-N 0 0 249.313 3.636 10 0 BHAERN Cc1[nH]c2ccccc2c1-c1ccncc1 ZINC000036338566 342945373 /nfs/dbraw/zinc/94/53/73/342945373.db2.gz NMPHKIHQOKMIKF-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 in-vivo BHAERN O=C[C@@H]1c2ccccc2[C@H](Cl)[C@H]2C=CC=C[C@H]12 ZINC000036351104 359664472 /nfs/dbraw/zinc/66/44/72/359664472.db2.gz LKSYYUHEBWAORN-HQRZJTNHSA-N 0 0 244.721 3.621 10 0 BHAERN CC(C)(C)c1nc(Cl)c2ccccc2n1 ZINC000036373285 398022059 /nfs/dbraw/zinc/02/20/59/398022059.db2.gz RRKKSASKQFKRHK-UHFFFAOYSA-N 0 0 220.703 3.581 10 0 BHAERN Nc1cc(C(F)(F)F)ccc1-c1ccccc1 ZINC000036373653 358461823 /nfs/dbraw/zinc/46/18/23/358461823.db2.gz JKQGKIGEYJZNKE-UHFFFAOYSA-N 0 0 237.224 3.955 10 0 BHAERN c1cn(-n2ccc3ccccc32)c2ccccc12 ZINC000036381212 388509127 /nfs/dbraw/zinc/50/91/27/388509127.db2.gz QZKLZARWTJMZLQ-UHFFFAOYSA-N 0 0 232.286 3.907 10 0 BHAERN c1ccc(CC[C@@H]2Cc3ccccc3N2)cc1 ZINC000036387578 183395145 /nfs/dbraw/zinc/39/51/45/183395145.db2.gz GVFLXEXIQNCDEQ-OAHLLOKOSA-N 0 0 223.319 3.656 10 0 BHAERN c1ccc(CC[C@H]2Cc3ccccc3N2)cc1 ZINC000036387579 183394834 /nfs/dbraw/zinc/39/48/34/183394834.db2.gz GVFLXEXIQNCDEQ-HNNXBMFYSA-N 0 0 223.319 3.656 10 0 BHAERN CC(C)C1(O)CCC(c2ccccc2)CC1 ZINC000036405289 343318307 /nfs/dbraw/zinc/31/83/07/343318307.db2.gz KQYTVZUBQNYHSV-UHFFFAOYSA-N 0 0 218.340 3.731 10 0 BHAERN COc1ccc(Br)c(C(C)C)c1 ZINC000036405584 187258956 /nfs/dbraw/zinc/25/89/56/187258956.db2.gz ITADIVACIVJFJF-UHFFFAOYSA-N 0 0 229.117 3.581 10 0 BHAERN CCOP(=O)(/C=C/c1ccco1)OCC ZINC000036405598 342993000 /nfs/dbraw/zinc/99/30/00/342993000.db2.gz MIWDBNGXLUHHFZ-VQHVLOKHSA-N 0 0 230.200 3.516 10 0 BHAERN Cc1c2cccccc-2o/c1=N\c1ccccc1 ZINC000036405793 343318283 /nfs/dbraw/zinc/31/82/83/343318283.db2.gz CIZUCRPTRGNOJT-MSUUIHNZSA-N 0 0 235.286 3.925 10 0 BHAERN FC(F)(F)c1cccc(N2CCCCC2)c1 ZINC000036421248 132342259 /nfs/dbraw/zinc/34/22/59/132342259.db2.gz NPSQWEDVTDCAGQ-UHFFFAOYSA-N 0 0 229.245 3.696 10 0 BHAERN O[C@@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000036421622 343318863 /nfs/dbraw/zinc/31/88/63/343318863.db2.gz BVPIPQQTLFVMMW-AIWVUANBSA-N 0 0 242.362 3.936 10 0 BHAERN O[C@H](c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000036421623 343318591 /nfs/dbraw/zinc/31/85/91/343318591.db2.gz BVPIPQQTLFVMMW-QUZGTJOHSA-N 0 0 242.362 3.936 10 0 BHAERN CNc1ccc(-c2ccc3ccccc3n2)cc1 ZINC000036427319 173475423 /nfs/dbraw/zinc/47/54/23/173475423.db2.gz SLVJLLSYTZXMFL-UHFFFAOYSA-N 0 0 234.302 3.944 10 0 BHAERN c1ccc2c(c1)cccc2COc1cccnc1 ZINC000036427354 183497885 /nfs/dbraw/zinc/49/78/85/183497885.db2.gz CEWPZBLGGUVLJY-UHFFFAOYSA-N 0 0 235.286 3.814 10 0 BHAERN COc1ccc(C(=C(F)F)C(F)(F)F)cc1 ZINC000036427462 342997731 /nfs/dbraw/zinc/99/77/31/342997731.db2.gz BLBWTWVDWJVPKR-UHFFFAOYSA-N 0 0 238.155 3.865 10 0 BHAERN OCCc1oc2ccccc2c1-c1ccccc1 ZINC000036427474 342997600 /nfs/dbraw/zinc/99/76/00/342997600.db2.gz NIPNGLUWTSVBNO-UHFFFAOYSA-N 0 0 238.286 3.635 10 0 BHAERN Brc1sccc1-c1ccccn1 ZINC000036427540 166109014 /nfs/dbraw/zinc/10/90/14/166109014.db2.gz AEDOJRBXDJHNOF-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN c1ccc2c(c1)C=CC1(CCCCC1)O2 ZINC000036438614 342999894 /nfs/dbraw/zinc/99/98/94/342999894.db2.gz OOOUFUAKCQOODS-UHFFFAOYSA-N 0 0 200.281 3.795 10 0 BHAERN CCCCCc1cccc(C(=O)OCC)c1 ZINC000036439109 342999799 /nfs/dbraw/zinc/99/97/99/342999799.db2.gz QOYQVQCJKROVLD-UHFFFAOYSA-N 0 0 220.312 3.596 10 0 BHAERN COc1c(C=O)cccc1-c1cccc(Cl)c1 ZINC000036439838 343000007 /nfs/dbraw/zinc/00/00/07/343000007.db2.gz HUBATZDQHYYLMX-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN Cc1cc(N(CC(C)C)CC(C)C)ccc1C=O ZINC000036439857 361143181 /nfs/dbraw/zinc/14/31/81/361143181.db2.gz WBLUFEUUAOIIBA-UHFFFAOYSA-N 0 0 247.382 3.926 10 0 BHAERN CC(C)(C)c1cccc2c1OCC2(C)C ZINC000036448692 384645246 /nfs/dbraw/zinc/64/52/46/384645246.db2.gz XPMZKMOUKYQSPE-UHFFFAOYSA-N 0 0 204.313 3.654 10 0 BHAERN c1cc2c(c(-c3ccncc3)c1)SCCC2 ZINC000036449279 343002732 /nfs/dbraw/zinc/00/27/32/343002732.db2.gz JSFGYRZNMNQMEX-UHFFFAOYSA-N 0 0 227.332 3.787 10 0 BHAERN c1ccc([C@H]2OCSc3ccccc32)cc1 ZINC000036449304 183433754 /nfs/dbraw/zinc/43/37/54/183433754.db2.gz HZCDRJYRCKZPEA-CQSZACIVSA-N 0 0 228.316 3.856 10 0 BHAERN c1ccc([C@@H]2OCSc3ccccc32)cc1 ZINC000036449305 383901538 /nfs/dbraw/zinc/90/15/38/383901538.db2.gz HZCDRJYRCKZPEA-AWEZNQCLSA-N 0 0 228.316 3.856 10 0 BHAERN O=Cc1cccc(-c2ccc(Cl)cc2)c1O ZINC000036449440 387874478 /nfs/dbraw/zinc/87/44/78/387874478.db2.gz ORESKBIFHBTXEM-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN COc1cc2c(cc1F)CC=C2c1ccccc1 ZINC000036457065 343005471 /nfs/dbraw/zinc/00/54/71/343005471.db2.gz SLJCDOCEQVMSNW-UHFFFAOYSA-N 0 0 240.277 3.822 10 0 BHAERN CCCCCCC(=O)C(F)(F)Br ZINC000036457142 643687993 /nfs/dbraw/zinc/68/79/93/643687993.db2.gz BOTVGYDPRVBKIG-UHFFFAOYSA-N 0 0 243.091 3.514 10 0 BHAERN CCCCCCC(=O)c1ccc(F)cc1 ZINC000036467220 361155421 /nfs/dbraw/zinc/15/54/21/361155421.db2.gz XSLBFDHIAHPUBK-UHFFFAOYSA-N 0 0 208.276 3.979 10 0 BHAERN O=C1CCCC[C@H]1CCCc1ccccc1 ZINC000036467443 343142984 /nfs/dbraw/zinc/14/29/84/343142984.db2.gz QRDUEIJUEDRPSO-AWEZNQCLSA-N 0 0 216.324 3.769 10 0 BHAERN O=C1CCCC[C@@H]1CCCc1ccccc1 ZINC000036467444 343143147 /nfs/dbraw/zinc/14/31/47/343143147.db2.gz QRDUEIJUEDRPSO-CQSZACIVSA-N 0 0 216.324 3.769 10 0 BHAERN COc1c(C(C)=O)cccc1-c1ccccc1 ZINC000036467666 343015068 /nfs/dbraw/zinc/01/50/68/343015068.db2.gz UHYMLWCZAFOIKJ-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN O[C@@H](CSc1ccccc1)c1ccccc1 ZINC000036467771 183182972 /nfs/dbraw/zinc/18/29/72/183182972.db2.gz XAIBVIWAJLFVEG-AWEZNQCLSA-N 0 0 230.332 3.512 10 0 BHAERN CCOC(=O)c1ccc(-c2ccc(C)cc2)cc1 ZINC000036468040 170294475 /nfs/dbraw/zinc/29/44/75/170294475.db2.gz IZIUPCBLFWHEPE-UHFFFAOYSA-N 0 0 240.302 3.839 10 0 BHAERN Cc1cn(C2CCC2)c2nc(Cl)ccc12 ZINC000036471253 343319677 /nfs/dbraw/zinc/31/96/77/343319677.db2.gz PZITWWWAOKCUOI-UHFFFAOYSA-N 0 0 220.703 3.723 10 0 BHAERN Nc1ccc(SCC2CCCCC2)cc1 ZINC000036472335 343014989 /nfs/dbraw/zinc/01/49/89/343014989.db2.gz HXOYVMIMHDIQFD-UHFFFAOYSA-N 0 0 221.369 3.941 10 0 BHAERN O=C1Nc2ccc(Cl)cc2Oc2ccccc21 ZINC000036473770 384686713 /nfs/dbraw/zinc/68/67/13/384686713.db2.gz ABEYQWUDPGUZJX-UHFFFAOYSA-N 0 0 245.665 3.698 10 0 BHAERN CCCC[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000036477564 346618130 /nfs/dbraw/zinc/61/81/30/346618130.db2.gz MLTATHPULQUYTF-LLVKDONJSA-N 0 0 232.245 3.929 10 0 BHAERN CCc1cccc2c(C)c(C(C)=O)oc21 ZINC000036669237 347429409 /nfs/dbraw/zinc/42/94/09/347429409.db2.gz OVSZVAYIFXGINB-UHFFFAOYSA-N 0 0 202.253 3.506 10 0 BHAERN CC(=O)c1oc2c(c1C)c(C)ccc2Cl ZINC000036669627 347429980 /nfs/dbraw/zinc/42/99/80/347429980.db2.gz CNRCMGXZUZJCMF-UHFFFAOYSA-N 0 0 222.671 3.906 10 0 BHAERN Cc1cccc(CCC(=O)C(C)(C)C)c1 ZINC000036683717 179053071 /nfs/dbraw/zinc/05/30/71/179053071.db2.gz CWCQMEBZCDREEF-UHFFFAOYSA-N 0 0 204.313 3.543 10 0 BHAERN CC(C)(C)C(=O)CCc1cccc(Cl)c1 ZINC000036683731 388256824 /nfs/dbraw/zinc/25/68/24/388256824.db2.gz FNTWZZTUDYPTRK-UHFFFAOYSA-N 0 0 224.731 3.888 10 0 BHAERN CCC(=O)CCc1ccc(Cl)cc1Cl ZINC000036683755 168205377 /nfs/dbraw/zinc/20/53/77/168205377.db2.gz CXPHEHGZBHGSPC-UHFFFAOYSA-N 0 0 231.122 3.905 10 0 BHAERN CCC(=O)CCc1cccc2ccccc21 ZINC000036683759 388256919 /nfs/dbraw/zinc/25/69/19/388256919.db2.gz MHEIFJRJDPMNLC-UHFFFAOYSA-N 0 0 212.292 3.752 10 0 BHAERN CCC(=O)CCc1cccc(C(F)(F)F)c1 ZINC000036683760 388256859 /nfs/dbraw/zinc/25/68/59/388256859.db2.gz ZVWMHTCLLUXUIO-UHFFFAOYSA-N 0 0 230.229 3.617 10 0 BHAERN Cc1ccc2c(c1)CCCN2c1cccc(N)c1 ZINC000036720288 132342264 /nfs/dbraw/zinc/34/22/64/132342264.db2.gz NWUMUPXSWCUVAY-UHFFFAOYSA-N 0 0 238.334 3.662 10 0 BHAERN COc1ccc(Cl)cc1Nc1cccc(N)c1 ZINC000036720399 175122156 /nfs/dbraw/zinc/12/21/56/175122156.db2.gz OOZAJCFOOZPEBF-UHFFFAOYSA-N 0 0 248.713 3.674 10 0 BHAERN CC(C)Oc1ccc(Nc2cccc(N)c2)cc1 ZINC000036720433 167297058 /nfs/dbraw/zinc/29/70/58/167297058.db2.gz XBFVUTLJNQANGQ-UHFFFAOYSA-N 0 0 242.322 3.800 10 0 BHAERN Cc1cc([C@@H](C)Nc2c(C)n[nH]c2C)c(C)s1 ZINC000036734446 178232757 /nfs/dbraw/zinc/23/27/57/178232757.db2.gz GYLMKVFSRBDOSD-MRVPVSSYSA-N 0 0 249.383 3.878 10 0 BHAERN Cc1cc([C@H](C)Nc2c(C)n[nH]c2C)c(C)s1 ZINC000036734448 178259753 /nfs/dbraw/zinc/25/97/53/178259753.db2.gz GYLMKVFSRBDOSD-QMMMGPOBSA-N 0 0 249.383 3.878 10 0 BHAERN CCc1ccc([C@@H](C)Nc2c(C)n[nH]c2C)cc1 ZINC000036734697 171832257 /nfs/dbraw/zinc/83/22/57/171832257.db2.gz UILAHDPHXLLVJH-SNVBAGLBSA-N 0 0 243.354 3.762 10 0 BHAERN Cc1n[nH]c(C)c1N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000036734732 179831092 /nfs/dbraw/zinc/83/10/92/179831092.db2.gz QCRRUMBVSDJEGW-JOYOIKCWSA-N 0 0 235.375 3.653 10 0 BHAERN Cc1n[nH]c(C)c1N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000036734739 179830900 /nfs/dbraw/zinc/83/09/00/179830900.db2.gz QCRRUMBVSDJEGW-SKDRFNHKSA-N 0 0 235.375 3.653 10 0 BHAERN Cc1n[nH]c(C)c1N[C@@H](C)c1cccc(Cl)c1 ZINC000036734787 179829986 /nfs/dbraw/zinc/82/99/86/179829986.db2.gz YVBDMBCCRVANSE-QMMMGPOBSA-N 0 0 249.745 3.853 10 0 BHAERN Cc1n[nH]c(C)c1N[C@H](C)c1ccccc1C ZINC000036735987 179323494 /nfs/dbraw/zinc/32/34/94/179323494.db2.gz KAJACDXLGRDWCT-SNVBAGLBSA-N 0 0 229.327 3.508 10 0 BHAERN CC[C@H](Nc1c(C)n[nH]c1C)c1ccc(F)cc1 ZINC000036736023 171550483 /nfs/dbraw/zinc/55/04/83/171550483.db2.gz FHENIZRDYUBXAJ-ZDUSSCGKSA-N 0 0 247.317 3.729 10 0 BHAERN CC[C@@H](Nc1c(C)n[nH]c1C)c1ccc(F)cc1 ZINC000036736024 187259378 /nfs/dbraw/zinc/25/93/78/187259378.db2.gz FHENIZRDYUBXAJ-CYBMUJFWSA-N 0 0 247.317 3.729 10 0 BHAERN Cc1n[nH]c(C)c1N[C@@H](C)c1ccccc1Cl ZINC000036736092 179829888 /nfs/dbraw/zinc/82/98/88/179829888.db2.gz JTLZFGVXQPMFFJ-QMMMGPOBSA-N 0 0 249.745 3.853 10 0 BHAERN Cc1n[nH]c(C)c1N[C@H](C)c1ccccc1Cl ZINC000036736093 179830301 /nfs/dbraw/zinc/83/03/01/179830301.db2.gz JTLZFGVXQPMFFJ-MRVPVSSYSA-N 0 0 249.745 3.853 10 0 BHAERN Cc1n[nH]c(C)c1N[C@@H](C)c1ccc(Cl)cc1 ZINC000036736094 179828856 /nfs/dbraw/zinc/82/88/56/179828856.db2.gz OTPTZUZCHPWBPY-QMMMGPOBSA-N 0 0 249.745 3.853 10 0 BHAERN Cc1n[nH]c(C)c1N[C@H](C)c1ccc(C)cc1 ZINC000036736103 178851372 /nfs/dbraw/zinc/85/13/72/178851372.db2.gz XLNQBTRGZLOGBE-SNVBAGLBSA-N 0 0 229.327 3.508 10 0 BHAERN Cc1n[nH]c(C)c1N[C@@H](C)c1ccc(C)cc1 ZINC000036736104 178899358 /nfs/dbraw/zinc/89/93/58/178899358.db2.gz XLNQBTRGZLOGBE-JTQLQIEISA-N 0 0 229.327 3.508 10 0 BHAERN Cc1n[nH]c(C)c1N[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000036736151 179830998 /nfs/dbraw/zinc/83/09/98/179830998.db2.gz CSKWTECGMPIPIK-HONMWMINSA-N 0 0 249.402 3.899 10 0 BHAERN Cc1n[nH]c(C)c1NCc1c(C)cc(C)cc1C ZINC000036736188 177862599 /nfs/dbraw/zinc/86/25/99/177862599.db2.gz KKCHJXKWNPWIPQ-UHFFFAOYSA-N 0 0 243.354 3.564 10 0 BHAERN CC[C@@H](C)Nc1cc(Br)ccc1F ZINC000036750856 343323374 /nfs/dbraw/zinc/32/33/74/343323374.db2.gz CSZKMORAQFJURP-SSDOTTSWSA-N 0 0 246.123 3.799 10 0 BHAERN CC[C@H](C)Nc1cc(Br)ccc1F ZINC000036750860 347449435 /nfs/dbraw/zinc/44/94/35/347449435.db2.gz CSZKMORAQFJURP-ZETCQYMHSA-N 0 0 246.123 3.799 10 0 BHAERN CC(C)CNc1cc(Br)ccc1F ZINC000036751451 167015641 /nfs/dbraw/zinc/01/56/41/167015641.db2.gz RMFBUKVCSQOAJI-UHFFFAOYSA-N 0 0 246.123 3.656 10 0 BHAERN CC(C)c1nc(Cl)cc(C(C)(C)C)n1 ZINC000036755647 343323983 /nfs/dbraw/zinc/32/39/83/343323983.db2.gz NQFPKUXHCPXSJB-UHFFFAOYSA-N 0 0 212.724 3.551 10 0 BHAERN CCc1cc(Cl)nc(C2CCCCC2)n1 ZINC000036755686 347449511 /nfs/dbraw/zinc/44/95/11/347449511.db2.gz OOVAFGFCQVKEIB-UHFFFAOYSA-N 0 0 224.735 3.740 10 0 BHAERN CC(C)c1cc(Cl)nc(C(C)(C)C)n1 ZINC000036755707 167571854 /nfs/dbraw/zinc/57/18/54/167571854.db2.gz OUGJNDVOSGIIEI-UHFFFAOYSA-N 0 0 212.724 3.551 10 0 BHAERN CC(C)c1cc(Cl)nc(Cc2ccccc2)n1 ZINC000036755727 167572248 /nfs/dbraw/zinc/57/22/48/167572248.db2.gz TVNDBYDVPQWZDE-UHFFFAOYSA-N 0 0 246.741 3.844 10 0 BHAERN CC(C)c1cc(Cl)nc(-c2ccco2)n1 ZINC000036755767 347449506 /nfs/dbraw/zinc/44/95/06/347449506.db2.gz CLGQRWFJSUPKCL-UHFFFAOYSA-N 0 0 222.675 3.513 10 0 BHAERN CC(C)c1cc(Cl)nc(-c2ccsc2)n1 ZINC000036755795 347449067 /nfs/dbraw/zinc/44/90/67/347449067.db2.gz SDPWMVJGEGADFT-UHFFFAOYSA-N 0 0 238.743 3.982 10 0 BHAERN CCc1cc(Cl)nc(-c2ccc(C)cc2C)n1 ZINC000036755928 171760067 /nfs/dbraw/zinc/76/00/67/171760067.db2.gz RONOHZTXEITGTE-UHFFFAOYSA-N 0 0 246.741 3.976 10 0 BHAERN CCc1cc(Cl)nc(-c2ccc(C)s2)n1 ZINC000036755932 347449166 /nfs/dbraw/zinc/44/91/66/347449166.db2.gz LNRBMTXCFQPZPF-UHFFFAOYSA-N 0 0 238.743 3.729 10 0 BHAERN C[C@@H](O)c1ccc2ccccc2c1OCC1CC1 ZINC000036765479 175999215 /nfs/dbraw/zinc/99/92/15/175999215.db2.gz LWSRMXWWGXOWLS-LLVKDONJSA-N 0 0 242.318 3.682 10 0 BHAERN COc1ccc(C(=O)C2CCCCC2)c(F)c1 ZINC000036766302 175053134 /nfs/dbraw/zinc/05/31/34/175053134.db2.gz IWFAVGZRFNGUFS-UHFFFAOYSA-N 0 0 236.286 3.597 10 0 BHAERN CCC[C@@H](C)[C@H]([NH2+]C)c1ccc(OC)cc1F ZINC000036766839 169373534 /nfs/dbraw/zinc/37/35/34/169373534.db2.gz SBVHDVVSCXKHAD-YGRLFVJLSA-N 0 0 239.334 3.531 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(OC)cc1Cl ZINC000036767315 361397964 /nfs/dbraw/zinc/39/79/64/361397964.db2.gz PGLFMCOCLFJGLK-SECBINFHSA-N 0 0 240.730 3.968 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(OC)cc1Cl ZINC000036767316 361397557 /nfs/dbraw/zinc/39/75/57/361397557.db2.gz PGLFMCOCLFJGLK-VIFPVBQESA-N 0 0 240.730 3.968 10 0 BHAERN COc1ccc(C(=O)CC(C)(C)C)c(Cl)c1 ZINC000036767322 361397502 /nfs/dbraw/zinc/39/75/02/361397502.db2.gz QLRCPFFYPRTKKQ-UHFFFAOYSA-N 0 0 240.730 3.968 10 0 BHAERN COc1ccc(C(=O)C(C)(C)C)c(Cl)c1 ZINC000036767327 347454668 /nfs/dbraw/zinc/45/46/68/347454668.db2.gz OFCMPNOAOSRTFF-UHFFFAOYSA-N 0 0 226.703 3.577 10 0 BHAERN CCC(CC)C(=O)c1ccc(OC)cc1Cl ZINC000036767367 361397806 /nfs/dbraw/zinc/39/78/06/361397806.db2.gz QICZETHVACNKSJ-UHFFFAOYSA-N 0 0 240.730 3.968 10 0 BHAERN CC[C@@H](C)C(=O)c1ccc(OC)cc1Cl ZINC000036767380 361397939 /nfs/dbraw/zinc/39/79/39/361397939.db2.gz KURRFCXYECJAMW-MRVPVSSYSA-N 0 0 226.703 3.577 10 0 BHAERN CC[C@H](C)C(=O)c1ccc(OC)cc1Cl ZINC000036767382 361397776 /nfs/dbraw/zinc/39/77/76/361397776.db2.gz KURRFCXYECJAMW-QMMMGPOBSA-N 0 0 226.703 3.577 10 0 BHAERN COc1ccc(C(=O)C2CCCC2)c(Cl)c1 ZINC000036767405 361398054 /nfs/dbraw/zinc/39/80/54/361398054.db2.gz OMNVPAYDTOCEJB-UHFFFAOYSA-N 0 0 238.714 3.722 10 0 BHAERN COc1ccc(C(=O)CC(C)C)c(Cl)c1 ZINC000036767414 361397896 /nfs/dbraw/zinc/39/78/96/361397896.db2.gz QBUVNXTXQWQQDI-UHFFFAOYSA-N 0 0 226.703 3.577 10 0 BHAERN CC(=O)c1ccc(N(C)[C@H](C)C(C)C)c(F)c1 ZINC000036787489 166461490 /nfs/dbraw/zinc/46/14/90/166461490.db2.gz MHFSEDPTUPWGOJ-SNVBAGLBSA-N 0 0 237.318 3.509 10 0 BHAERN CC(=O)c1cc(F)ccc1N(C)[C@@H](C)C(C)C ZINC000036787492 166447194 /nfs/dbraw/zinc/44/71/94/166447194.db2.gz FPTNESPXLITVPJ-JTQLQIEISA-N 0 0 237.318 3.509 10 0 BHAERN CCC(CC)N(C)c1ccc2scnc2c1N ZINC000036788876 168369785 /nfs/dbraw/zinc/36/97/85/168369785.db2.gz MSSFEHBNFLEHLE-UHFFFAOYSA-N 0 0 249.383 3.503 10 0 BHAERN CCC(CC)N(C)c1ccc(C(C)=O)cc1F ZINC000036789198 168368999 /nfs/dbraw/zinc/36/89/99/168368999.db2.gz TXOZKZZELPHQDO-UHFFFAOYSA-N 0 0 237.318 3.653 10 0 BHAERN CCC(CC)N(C)c1ccc(F)cc1C(C)=O ZINC000036789199 168368997 /nfs/dbraw/zinc/36/89/97/168368997.db2.gz RNKIAYFPWBLUTH-UHFFFAOYSA-N 0 0 237.318 3.653 10 0 BHAERN CCC(CC)N(C)c1cccc(F)c1C(C)=O ZINC000036789201 168368514 /nfs/dbraw/zinc/36/85/14/168368514.db2.gz VQPLLYYXLDVVON-UHFFFAOYSA-N 0 0 237.318 3.653 10 0 BHAERN CCC(CC)N(C)c1ccc(F)cc1[C@@H](C)O ZINC000036789382 168368635 /nfs/dbraw/zinc/36/86/35/168368635.db2.gz XBBYUFLBUJADTA-SNVBAGLBSA-N 0 0 239.334 3.504 10 0 BHAERN CCC(CC)N(C)c1ccc(F)cc1[C@H](C)O ZINC000036789383 168369712 /nfs/dbraw/zinc/36/97/12/168369712.db2.gz XBBYUFLBUJADTA-JTQLQIEISA-N 0 0 239.334 3.504 10 0 BHAERN CCC(CC)N(C)c1ccc([C@@H](C)O)cc1F ZINC000036789389 168369293 /nfs/dbraw/zinc/36/92/93/168369293.db2.gz OKHZCRXGVZFLCE-SNVBAGLBSA-N 0 0 239.334 3.504 10 0 BHAERN CCC(CC)N(C)c1ccc([C@H](C)O)cc1F ZINC000036789390 168369145 /nfs/dbraw/zinc/36/91/45/168369145.db2.gz OKHZCRXGVZFLCE-JTQLQIEISA-N 0 0 239.334 3.504 10 0 BHAERN CCC(CC)N(C)c1cccc(F)c1[C@@H](C)O ZINC000036789393 168369714 /nfs/dbraw/zinc/36/97/14/168369714.db2.gz LNIDOXCJTMPHSW-SNVBAGLBSA-N 0 0 239.334 3.504 10 0 BHAERN CCC(CC)N(C)c1cccc(F)c1[C@H](C)O ZINC000036789394 168368844 /nfs/dbraw/zinc/36/88/44/168368844.db2.gz LNIDOXCJTMPHSW-JTQLQIEISA-N 0 0 239.334 3.504 10 0 BHAERN CCC[C@@H](C)N(C)c1ccc2scnc2c1N ZINC000036790092 169366196 /nfs/dbraw/zinc/36/61/96/169366196.db2.gz YZZDVZPJRJHNJP-SECBINFHSA-N 0 0 249.383 3.503 10 0 BHAERN CCC[C@H](C)N(C)c1ccc2scnc2c1N ZINC000036790093 169490853 /nfs/dbraw/zinc/49/08/53/169490853.db2.gz YZZDVZPJRJHNJP-VIFPVBQESA-N 0 0 249.383 3.503 10 0 BHAERN CCC[C@@H](C)N(C)c1ccc(N)cc1Cl ZINC000036790122 169366662 /nfs/dbraw/zinc/36/66/62/169366662.db2.gz VJFIKKDNZYRKBU-SECBINFHSA-N 0 0 226.751 3.547 10 0 BHAERN CCC[C@@H](C)N(C)c1ccc(C(C)=O)cc1F ZINC000036790860 169366193 /nfs/dbraw/zinc/36/61/93/169366193.db2.gz XXRCDKQMFFINMT-SNVBAGLBSA-N 0 0 237.318 3.653 10 0 BHAERN CCC[C@@H](C)N(C)c1ccc(F)cc1C(C)=O ZINC000036790864 169366518 /nfs/dbraw/zinc/36/65/18/169366518.db2.gz QTFWOAZYQMKALN-SNVBAGLBSA-N 0 0 237.318 3.653 10 0 BHAERN CCC[C@@H](C)N(C)c1cccc(F)c1C(C)=O ZINC000036790870 169366239 /nfs/dbraw/zinc/36/62/39/169366239.db2.gz GGGXKVUOKSGIOF-SNVBAGLBSA-N 0 0 237.318 3.653 10 0 BHAERN CCC[C@@H](C)N(C)c1ccc(F)cc1[C@@H](C)O ZINC000036791188 169366200 /nfs/dbraw/zinc/36/62/00/169366200.db2.gz DTVCMLCFVSGJPI-GHMZBOCLSA-N 0 0 239.334 3.504 10 0 BHAERN CCC[C@@H](C)N(C)c1ccc([C@@H](C)O)cc1F ZINC000036791203 169366260 /nfs/dbraw/zinc/36/62/60/169366260.db2.gz UGDKCJZLAIQELV-GHMZBOCLSA-N 0 0 239.334 3.504 10 0 BHAERN CCC[C@@H](C)N(C)c1cccc(F)c1[C@@H](C)O ZINC000036791211 169366269 /nfs/dbraw/zinc/36/62/69/169366269.db2.gz KUKGMKQOSNMGKA-GHMZBOCLSA-N 0 0 239.334 3.504 10 0 BHAERN Cc1sc2ncnc(N[C@@H](C)C(C)C)c2c1C ZINC000036803792 358462554 /nfs/dbraw/zinc/46/25/54/358462554.db2.gz BCYXYDYIEXVPOH-VIFPVBQESA-N 0 0 249.383 3.765 10 0 BHAERN Cc1sc2ncnc(N[C@H](C)C(C)C)c2c1C ZINC000036803794 358462747 /nfs/dbraw/zinc/46/27/47/358462747.db2.gz BCYXYDYIEXVPOH-SECBINFHSA-N 0 0 249.383 3.765 10 0 BHAERN CCCOC(=O)c1ccc(NCCC(C)C)cc1 ZINC000036804364 169300340 /nfs/dbraw/zinc/30/03/40/169300340.db2.gz NWWLRBQMRVBNRC-UHFFFAOYSA-N 0 0 249.354 3.711 10 0 BHAERN CC(C)CCOc1cc2ccccc2cc1O ZINC000036805013 166881183 /nfs/dbraw/zinc/88/11/83/166881183.db2.gz QFQRFQVHMJDXDF-UHFFFAOYSA-N 0 0 230.307 3.970 10 0 BHAERN Nc1cc(Cl)ccc1SC(F)(F)F ZINC000036819364 347825727 /nfs/dbraw/zinc/82/57/27/347825727.db2.gz NRZOGZFOEGLGDC-UHFFFAOYSA-N 0 0 227.638 3.534 10 0 BHAERN Nc1cccc(Cl)c1SC(F)(F)F ZINC000036819375 347825765 /nfs/dbraw/zinc/82/57/65/347825765.db2.gz XIDLZNKLIUMDMC-UHFFFAOYSA-N 0 0 227.638 3.534 10 0 BHAERN CC(C)c1ccc(C(=O)CC(F)(F)F)cc1 ZINC000036819402 361518071 /nfs/dbraw/zinc/51/80/71/361518071.db2.gz NFVCKCRGNIRDCZ-UHFFFAOYSA-N 0 0 230.229 3.945 10 0 BHAERN Cc1ccc(C(=O)c2ccc(C(C)C)cc2)o1 ZINC000036819462 187259213 /nfs/dbraw/zinc/25/92/13/187259213.db2.gz RCLLDJWYFFONRD-UHFFFAOYSA-N 0 0 228.291 3.942 10 0 BHAERN CCC(CC)C(=O)c1cc(C)ccc1OC ZINC000036822655 361531560 /nfs/dbraw/zinc/53/15/60/361531560.db2.gz QHLQHVNYOUKUPZ-UHFFFAOYSA-N 0 0 220.312 3.623 10 0 BHAERN COc1ccc(C)cc1C(=O)CC(C)(C)C ZINC000036822697 361531633 /nfs/dbraw/zinc/53/16/33/361531633.db2.gz HSTGDMTYRAQSLU-UHFFFAOYSA-N 0 0 220.312 3.623 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(C)ccc1OC ZINC000036822703 361531442 /nfs/dbraw/zinc/53/14/42/361531442.db2.gz MCJJPNXGPILQQD-LLVKDONJSA-N 0 0 220.312 3.623 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(C)ccc1OC ZINC000036822704 361531602 /nfs/dbraw/zinc/53/16/02/361531602.db2.gz MCJJPNXGPILQQD-NSHDSACASA-N 0 0 220.312 3.623 10 0 BHAERN Cc1n[nH]c(C)c1CNc1ccccc1C(C)C ZINC000036864527 383912824 /nfs/dbraw/zinc/91/28/24/383912824.db2.gz FXZNZEVQTUMCRL-UHFFFAOYSA-N 0 0 243.354 3.762 10 0 BHAERN Cc1ccc(OCc2ccsc2)c([C@H](C)O)c1 ZINC000036867031 178815831 /nfs/dbraw/zinc/81/58/31/178815831.db2.gz PDVAHIWZYKYGEF-NSHDSACASA-N 0 0 248.347 3.689 10 0 BHAERN O=C(CCc1ccsc1)c1ccccc1 ZINC000036867142 343142415 /nfs/dbraw/zinc/14/24/15/343142415.db2.gz SZVFGAFSHDSJQB-UHFFFAOYSA-N 0 0 216.305 3.564 10 0 BHAERN Clc1ccc(-c2nccc(Cl)n2)s1 ZINC000036882233 347961635 /nfs/dbraw/zinc/96/16/35/347961635.db2.gz ZFIYEXPMBHFODW-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN CSc1ccc(-c2nccc(Cl)n2)cc1 ZINC000036882248 347961753 /nfs/dbraw/zinc/96/17/53/347961753.db2.gz AGURDRDMYJKFMV-UHFFFAOYSA-N 0 0 236.727 3.519 10 0 BHAERN S=c1[nH]c2cc(Cl)ccc2n1C1CC1 ZINC000036889477 347957127 /nfs/dbraw/zinc/95/71/27/347957127.db2.gz DFHWMBLPBPTPGV-UHFFFAOYSA-N 0 0 224.716 3.687 10 0 BHAERN CCC[C@@H](C)CNc1ccc(C(=O)OCC)cc1 ZINC000036890679 169360724 /nfs/dbraw/zinc/36/07/24/169360724.db2.gz ORPMCJNHLYHZTF-GFCCVEGCSA-N 0 0 249.354 3.711 10 0 BHAERN CCOC(=O)c1ccc(NCC(CC)CC)cc1 ZINC000036890748 170296131 /nfs/dbraw/zinc/29/61/31/170296131.db2.gz USHMFRWZCHCPII-UHFFFAOYSA-N 0 0 249.354 3.711 10 0 BHAERN Cc1ccc2c(c1)[nH]c(=S)n2C(C)C ZINC000036890791 347956688 /nfs/dbraw/zinc/95/66/88/347956688.db2.gz IYMPVTBLWIKDCK-UHFFFAOYSA-N 0 0 206.314 3.588 10 0 BHAERN Fc1ccc2c(c1)[nH]c(=S)n2C1CCCC1 ZINC000036891312 180989956 /nfs/dbraw/zinc/98/99/56/180989956.db2.gz APXMVUNNUORYRD-UHFFFAOYSA-N 0 0 236.315 3.953 10 0 BHAERN CCC[C@@H](C)CNc1ccccc1C(=O)OCC ZINC000036891568 169361685 /nfs/dbraw/zinc/36/16/85/169361685.db2.gz NMWDVIDCBORPPL-GFCCVEGCSA-N 0 0 249.354 3.711 10 0 BHAERN CCC[C@H](C)CNc1ccccc1C(=O)OCC ZINC000036891569 169483970 /nfs/dbraw/zinc/48/39/70/169483970.db2.gz NMWDVIDCBORPPL-LBPRGKRZSA-N 0 0 249.354 3.711 10 0 BHAERN CCOC(=O)c1ccccc1NCC(CC)CC ZINC000036891601 170300302 /nfs/dbraw/zinc/30/03/02/170300302.db2.gz CEVIQBRRIVVMND-UHFFFAOYSA-N 0 0 249.354 3.711 10 0 BHAERN Oc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000036894504 183272217 /nfs/dbraw/zinc/27/22/17/183272217.db2.gz CWLRLIVJCUGATD-UHFFFAOYSA-N 0 0 241.315 3.593 10 0 BHAERN Cc1ccc(O)c(-c2nc3ccccc3s2)c1 ZINC000036894524 347967955 /nfs/dbraw/zinc/96/79/55/347967955.db2.gz SMWMPMNQFQRVTR-UHFFFAOYSA-N 0 0 241.315 3.977 10 0 BHAERN Nc1ccc(-c2nc3ccccc3n2C2CC2)cc1 ZINC000036896028 181696732 /nfs/dbraw/zinc/69/67/32/181696732.db2.gz HOPDGOKHNTZSKN-UHFFFAOYSA-N 0 0 249.317 3.620 10 0 BHAERN Cc1c(O)cccc1OCC1CCCCC1 ZINC000036896621 343326788 /nfs/dbraw/zinc/32/67/88/343326788.db2.gz QNJYSBZHGAVWNO-UHFFFAOYSA-N 0 0 220.312 3.660 10 0 BHAERN Oc1ccc2ccc(OC3CCCC3)cc2c1 ZINC000036897046 183284801 /nfs/dbraw/zinc/28/48/01/183284801.db2.gz SUCFNYNCRYOSSW-UHFFFAOYSA-N 0 0 228.291 3.867 10 0 BHAERN CC(C)COc1ccc2ccc(O)cc2c1 ZINC000036897057 188468026 /nfs/dbraw/zinc/46/80/26/188468026.db2.gz MTJVTBMZTYBPQK-UHFFFAOYSA-N 0 0 216.280 3.580 10 0 BHAERN c1cc(CNc2ccccc2-c2ccccc2)n[nH]1 ZINC000036899970 183381267 /nfs/dbraw/zinc/38/12/67/183381267.db2.gz IRUGCCXFCDJYNL-UHFFFAOYSA-N 0 0 249.317 3.689 10 0 BHAERN CCc1cc(Cl)c2cc(C)ccc2n1 ZINC000036912836 343143560 /nfs/dbraw/zinc/14/35/60/343143560.db2.gz XIXSXHMNGKFGAD-UHFFFAOYSA-N 0 0 205.688 3.759 10 0 BHAERN Cc1nc([C@@H](C)Nc2ccccc2)cs1 ZINC000036914353 180037447 /nfs/dbraw/zinc/03/74/47/180037447.db2.gz FOMAWXZRPXIYED-SECBINFHSA-N 0 0 218.325 3.625 10 0 BHAERN Cc1nc([C@H](C)Nc2ccccc2)cs1 ZINC000036914354 180052720 /nfs/dbraw/zinc/05/27/20/180052720.db2.gz FOMAWXZRPXIYED-VIFPVBQESA-N 0 0 218.325 3.625 10 0 BHAERN Cc1nc([C@@H](C)Nc2ccccc2F)cs1 ZINC000036914563 180037695 /nfs/dbraw/zinc/03/76/95/180037695.db2.gz ZGTVKQOZHHORIP-MRVPVSSYSA-N 0 0 236.315 3.764 10 0 BHAERN Cc1nc([C@H](C)Nc2ccccc2F)cs1 ZINC000036914564 180052630 /nfs/dbraw/zinc/05/26/30/180052630.db2.gz ZGTVKQOZHHORIP-QMMMGPOBSA-N 0 0 236.315 3.764 10 0 BHAERN Cc1nc([C@H](C)Nc2ccccc2C)cs1 ZINC000036914611 180052694 /nfs/dbraw/zinc/05/26/94/180052694.db2.gz HBFGEVLLBPGKFK-JTQLQIEISA-N 0 0 232.352 3.933 10 0 BHAERN Cc1nc([C@@H](C)Nc2ccccc2C)cs1 ZINC000036914612 180037462 /nfs/dbraw/zinc/03/74/62/180037462.db2.gz HBFGEVLLBPGKFK-SNVBAGLBSA-N 0 0 232.352 3.933 10 0 BHAERN CCCNc1ccc(SC(F)F)cc1 ZINC000036919613 169294707 /nfs/dbraw/zinc/29/47/07/169294707.db2.gz PQFVMUDJPFOHHR-UHFFFAOYSA-N 0 0 217.284 3.823 10 0 BHAERN CC(C)Nc1c2ncsc2ccc1Cl ZINC000036923429 385588894 /nfs/dbraw/zinc/58/88/94/385588894.db2.gz UVPAXAOPAIFUJE-UHFFFAOYSA-N 0 0 226.732 3.770 10 0 BHAERN Clc1cccc(Nc2ccc(Cl)nn2)c1 ZINC000036923487 347964461 /nfs/dbraw/zinc/96/44/61/347964461.db2.gz MCADXQPQQKEVNT-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN CCc1ccccc1-c1ccc(C=O)s1 ZINC000036927296 712520856 /nfs/dbraw/zinc/52/08/56/712520856.db2.gz LPGIRZXQJMIOEV-UHFFFAOYSA-N 0 0 216.305 3.790 10 0 BHAERN O=Cc1ccc(-c2cccc3ncccc32)s1 ZINC000036927297 712520562 /nfs/dbraw/zinc/52/05/62/712520562.db2.gz RGVZBEMZXYBQIX-UHFFFAOYSA-N 0 0 239.299 3.776 10 0 BHAERN O=Cc1ccc(-c2cc(F)cc(F)c2)s1 ZINC000036927300 347964505 /nfs/dbraw/zinc/96/45/05/347964505.db2.gz REQQZRFYQKZQEF-UHFFFAOYSA-N 0 0 224.231 3.506 10 0 BHAERN Cc1cccc(-c2ccc(C=O)s2)c1C ZINC000036927301 712520679 /nfs/dbraw/zinc/52/06/79/712520679.db2.gz JZVXQXNFPUKZIK-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN CCc1ccc(-c2ccc(C=O)s2)cc1 ZINC000036927305 712520745 /nfs/dbraw/zinc/52/07/45/712520745.db2.gz BHDQQQMEINAQHY-UHFFFAOYSA-N 0 0 216.305 3.790 10 0 BHAERN O=Cc1ccc(-c2ccc3c(c2)CCC3)s1 ZINC000036927306 712520713 /nfs/dbraw/zinc/52/07/13/712520713.db2.gz LTGKKRVUZQRCCL-UHFFFAOYSA-N 0 0 228.316 3.716 10 0 BHAERN Cc1ccc(F)cc1-c1ccc(C=O)s1 ZINC000036927311 347964609 /nfs/dbraw/zinc/96/46/09/347964609.db2.gz HJIWUPIBVIAZPO-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN Cc1ccc(-c2ccc(C=O)s2)c(C)c1 ZINC000036927312 642427776 /nfs/dbraw/zinc/42/77/76/642427776.db2.gz JBPQQMRHKDWJLP-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN Cc1cc(F)ccc1-c1ccc(C=O)s1 ZINC000036927313 347964540 /nfs/dbraw/zinc/96/45/40/347964540.db2.gz JEIIGWHBTOQYPU-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN Cc1ccc(C)c(-c2ccc(C=O)s2)c1 ZINC000036927314 712520842 /nfs/dbraw/zinc/52/08/42/712520842.db2.gz BPPIHXBWGVNBFF-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN O=Cc1ccc(-c2ccc(F)c(F)c2)s1 ZINC000036927315 347964487 /nfs/dbraw/zinc/96/44/87/347964487.db2.gz WITQOIJJXSONME-UHFFFAOYSA-N 0 0 224.231 3.506 10 0 BHAERN Cc1cc(C)cc(-c2ccc(C=O)s2)c1 ZINC000036927316 347964818 /nfs/dbraw/zinc/96/48/18/347964818.db2.gz ZHEYDGHBQOMXDP-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN CCc1cccc(-c2ccc(C=O)s2)c1 ZINC000036927317 712520710 /nfs/dbraw/zinc/52/07/10/712520710.db2.gz FVVLCTCXZNNQOL-UHFFFAOYSA-N 0 0 216.305 3.790 10 0 BHAERN O=Cc1ccc(-c2c(F)cccc2F)s1 ZINC000036927322 347964843 /nfs/dbraw/zinc/96/48/43/347964843.db2.gz GHQIAULXXAJKMT-UHFFFAOYSA-N 0 0 224.231 3.506 10 0 BHAERN CCC(C)(C)c1ccc2c(c1)C(=O)CCCO2 ZINC000036928534 168305700 /nfs/dbraw/zinc/30/57/00/168305700.db2.gz ZUBZXKILIJHHMB-UHFFFAOYSA-N 0 0 232.323 3.730 10 0 BHAERN CC(=O)c1oc2c(cccc2Cl)c1C ZINC000036928699 347964678 /nfs/dbraw/zinc/96/46/78/347964678.db2.gz YKSGHNRYEAUJEX-UHFFFAOYSA-N 0 0 208.644 3.597 10 0 BHAERN CC(=O)c1oc2cc(C)cc(C)c2c1C ZINC000036928701 347964770 /nfs/dbraw/zinc/96/47/70/347964770.db2.gz PLMQWVKGMJGPDC-UHFFFAOYSA-N 0 0 202.253 3.561 10 0 BHAERN CC(=O)c1oc2c(cc(Cl)cc2C)c1C ZINC000036928702 347964774 /nfs/dbraw/zinc/96/47/74/347964774.db2.gz PIUYBSVWCKBXTC-UHFFFAOYSA-N 0 0 222.671 3.906 10 0 BHAERN CC(=O)c1oc2c(c1C)c(C)ccc2C ZINC000036928706 347964514 /nfs/dbraw/zinc/96/45/14/347964514.db2.gz PCCGZMUCHILSGM-UHFFFAOYSA-N 0 0 202.253 3.561 10 0 BHAERN CC(=O)c1oc2cc(C)c(C)cc2c1C ZINC000036928707 347964918 /nfs/dbraw/zinc/96/49/18/347964918.db2.gz UEUAPRZREJIDEY-UHFFFAOYSA-N 0 0 202.253 3.561 10 0 BHAERN CC(=O)c1oc2c(ccc(C)c2C)c1C ZINC000036928709 347964734 /nfs/dbraw/zinc/96/47/34/347964734.db2.gz YDAQBVLQGOOCAC-UHFFFAOYSA-N 0 0 202.253 3.561 10 0 BHAERN CCCOc1cccc2c(C)c(C(C)=O)oc21 ZINC000036928728 169325813 /nfs/dbraw/zinc/32/58/13/169325813.db2.gz FGIFKTUBUPWJMH-UHFFFAOYSA-N 0 0 232.279 3.733 10 0 BHAERN CC(C)(C)c1ccc2c(c1)C(=O)CCS2 ZINC000036928818 343328110 /nfs/dbraw/zinc/32/81/10/343328110.db2.gz HMRFRXKMUVSZRW-UHFFFAOYSA-N 0 0 220.337 3.663 10 0 BHAERN CC(C)c1ccc2c(c1)C(=O)CCCS2 ZINC000036928826 347965489 /nfs/dbraw/zinc/96/54/89/347965489.db2.gz PJALNHGGCAYTHG-UHFFFAOYSA-N 0 0 220.337 3.879 10 0 BHAERN CC(=O)c1sc2c(cccc2F)c1C ZINC000036928913 347965767 /nfs/dbraw/zinc/96/57/67/347965767.db2.gz GHTJEXVSLNIXDA-UHFFFAOYSA-N 0 0 208.257 3.551 10 0 BHAERN Clc1ncnc2cc(-c3ccoc3)sc21 ZINC000036929344 347965763 /nfs/dbraw/zinc/96/57/63/347965763.db2.gz MDJJZOVPDPWLRW-UHFFFAOYSA-N 0 0 236.683 3.605 10 0 BHAERN CCCc1ccc(-c2ccc(C=O)o2)cc1 ZINC000036929510 712520883 /nfs/dbraw/zinc/52/08/83/712520883.db2.gz MTFYFOFXMLZFDP-UHFFFAOYSA-N 0 0 214.264 3.712 10 0 BHAERN CC(C)(C)C(=O)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000036930833 347966126 /nfs/dbraw/zinc/96/61/26/347966126.db2.gz ZJAKCKIJOPNELJ-NSHDSACASA-N 0 0 235.714 3.562 10 0 BHAERN CC(C)(C)C(=O)[C@H](C#N)c1ccc(Cl)cc1 ZINC000036930834 347965793 /nfs/dbraw/zinc/96/57/93/347965793.db2.gz ZJAKCKIJOPNELJ-LLVKDONJSA-N 0 0 235.714 3.562 10 0 BHAERN Cc1ccccc1-c1c(N)n[nH]c1-c1ccccc1 ZINC000036935259 179233934 /nfs/dbraw/zinc/23/39/34/179233934.db2.gz MDQHVBRUXDKTMZ-UHFFFAOYSA-N 0 0 249.317 3.634 10 0 BHAERN Cc1ccccc1-c1c(N)n[nH]c1C1CCCC1 ZINC000036935279 179235551 /nfs/dbraw/zinc/23/55/51/179235551.db2.gz LLGHXKILZRPADS-UHFFFAOYSA-N 0 0 241.338 3.625 10 0 BHAERN Cc1ccccc1-c1c(N)n[nH]c1CC(C)(C)C ZINC000036935303 179235073 /nfs/dbraw/zinc/23/50/73/179235073.db2.gz SYRFKNHLWGUGOY-UHFFFAOYSA-N 0 0 243.354 3.556 10 0 BHAERN CC(C)Cc1[nH]nc(N)c1-c1cccc(Cl)c1 ZINC000036935349 188468626 /nfs/dbraw/zinc/46/86/26/188468626.db2.gz MVMGKNORRHSHLP-UHFFFAOYSA-N 0 0 249.745 3.511 10 0 BHAERN Nc1n[nH]c(C2CCC2)c1-c1cccc(Cl)c1 ZINC000036935353 538961403 /nfs/dbraw/zinc/96/14/03/538961403.db2.gz QIUJYVDYPKIJGD-UHFFFAOYSA-N 0 0 247.729 3.580 10 0 BHAERN Nc1n[nH]c(C2CCC2)c1-c1ccc(Cl)cc1 ZINC000036935609 538961477 /nfs/dbraw/zinc/96/14/77/538961477.db2.gz RFUKTEFIFUGBJS-UHFFFAOYSA-N 0 0 247.729 3.580 10 0 BHAERN CCCCc1[nH]nc(N)c1-c1ccc(Cl)cc1 ZINC000036935619 188113082 /nfs/dbraw/zinc/11/30/82/188113082.db2.gz GNTRZLRKEIGLIA-UHFFFAOYSA-N 0 0 249.745 3.655 10 0 BHAERN CCC[C@@H](C)c1[nH]nc(N)c1-c1cccc(F)c1 ZINC000036935918 169374750 /nfs/dbraw/zinc/37/47/50/169374750.db2.gz ABNSQAKJKMNXDB-SECBINFHSA-N 0 0 247.317 3.702 10 0 BHAERN Cc1ccccc1-c1c(N)onc1CCC(C)C ZINC000036936390 179235046 /nfs/dbraw/zinc/23/50/46/179235046.db2.gz XZSWHQSBHYEWGT-UHFFFAOYSA-N 0 0 244.338 3.821 10 0 BHAERN Cc1ccccc1-c1c(N)onc1CC(C)(C)C ZINC000036936402 179235089 /nfs/dbraw/zinc/23/50/89/179235089.db2.gz YBQOMWWPLXJYDM-UHFFFAOYSA-N 0 0 244.338 3.821 10 0 BHAERN C[C@@H]1C[C@@H]1c1noc(N)c1-c1ccc(Cl)cc1 ZINC000036936742 176408888 /nfs/dbraw/zinc/40/88/88/176408888.db2.gz QQXSTDMECRLIEN-XCBNKYQSSA-N 0 0 248.713 3.701 10 0 BHAERN C[C@H]1C[C@@H]1c1noc(N)c1-c1ccc(Cl)cc1 ZINC000036936744 177352643 /nfs/dbraw/zinc/35/26/43/177352643.db2.gz QQXSTDMECRLIEN-XVKPBYJWSA-N 0 0 248.713 3.701 10 0 BHAERN C[C@H]1C[C@H]1c1noc(N)c1-c1ccc(Cl)cc1 ZINC000036936748 177387332 /nfs/dbraw/zinc/38/73/32/177387332.db2.gz QQXSTDMECRLIEN-OIBJUYFYSA-N 0 0 248.713 3.701 10 0 BHAERN CCC[C@@H](C)c1noc(N)c1-c1ccc(F)cc1 ZINC000036936827 169375424 /nfs/dbraw/zinc/37/54/24/169375424.db2.gz LZTAFDHYKSFRCN-SECBINFHSA-N 0 0 248.301 3.967 10 0 BHAERN CCc1noc(N)c1-c1ccc(C(C)C)cc1 ZINC000036937418 172086563 /nfs/dbraw/zinc/08/65/63/172086563.db2.gz MBHNFMVSIOPYAX-UHFFFAOYSA-N 0 0 230.311 3.610 10 0 BHAERN CC(C)c1ccc(-c2c(N)onc2C2CC2)cc1 ZINC000036937431 167578674 /nfs/dbraw/zinc/57/86/74/167578674.db2.gz OTEGMPIVSYPBDG-UHFFFAOYSA-N 0 0 242.322 3.925 10 0 BHAERN COCc1ccccc1N[C@@H]1CCC[C@@H](C)C1 ZINC000036938555 262909573 /nfs/dbraw/zinc/90/95/73/262909573.db2.gz JUNZGTYZNDQSIS-TZMCWYRMSA-N 0 0 233.355 3.824 10 0 BHAERN COCc1ccccc1N[C@H](C)CC(C)C ZINC000036938890 387885468 /nfs/dbraw/zinc/88/54/68/387885468.db2.gz OOLYWGKYILRPCR-GFCCVEGCSA-N 0 0 221.344 3.680 10 0 BHAERN COCc1ccccc1N[C@@H](C)CC(C)C ZINC000036938892 387885474 /nfs/dbraw/zinc/88/54/74/387885474.db2.gz OOLYWGKYILRPCR-LBPRGKRZSA-N 0 0 221.344 3.680 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(C)ccc1C ZINC000036939936 361579570 /nfs/dbraw/zinc/57/95/70/361579570.db2.gz DEFCUCKERDVIOC-GFCCVEGCSA-N 0 0 204.313 3.922 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(C)ccc1C ZINC000036939938 361579655 /nfs/dbraw/zinc/57/96/55/361579655.db2.gz DEFCUCKERDVIOC-LBPRGKRZSA-N 0 0 204.313 3.922 10 0 BHAERN Cc1ccc(C)c(C(=O)Cc2ccccc2)c1 ZINC000036939970 347972169 /nfs/dbraw/zinc/97/21/69/347972169.db2.gz LOIMDCYJGRPMFR-UHFFFAOYSA-N 0 0 224.303 3.729 10 0 BHAERN Cc1ccc(C)c(C(=O)c2ccccc2C)c1 ZINC000036939995 384979437 /nfs/dbraw/zinc/97/94/37/384979437.db2.gz UONIDOSTFONYDI-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN Cc1ccc(C)c(C(=O)c2ccccc2F)c1 ZINC000036940001 384980189 /nfs/dbraw/zinc/98/01/89/384980189.db2.gz JQDDTJLLUSWQOV-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1cc(C)c(C)c(C(=O)C2CC2)c1C ZINC000036940074 347972842 /nfs/dbraw/zinc/97/28/42/347972842.db2.gz MAWIJQCHCWLRGA-UHFFFAOYSA-N 0 0 202.297 3.513 10 0 BHAERN Cc1c(C)c(C)c(C(=O)C2CC2)c(C)c1C ZINC000036940190 361579674 /nfs/dbraw/zinc/57/96/74/361579674.db2.gz XMJSZEVDSXFVPM-UHFFFAOYSA-N 0 0 216.324 3.821 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(F)ccc1F ZINC000036940204 361579663 /nfs/dbraw/zinc/57/96/63/361579663.db2.gz HKHYCMFYNDFBRG-MRVPVSSYSA-N 0 0 212.239 3.584 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(F)ccc1F ZINC000036940206 361579469 /nfs/dbraw/zinc/57/94/69/361579469.db2.gz HKHYCMFYNDFBRG-QMMMGPOBSA-N 0 0 212.239 3.584 10 0 BHAERN CCC(CC)C(=O)c1cc(F)ccc1F ZINC000036940242 361579678 /nfs/dbraw/zinc/57/96/78/361579678.db2.gz GSHWHKWNESWHAW-UHFFFAOYSA-N 0 0 212.239 3.584 10 0 BHAERN Cc1cccc(C(=O)c2cc(F)ccc2F)c1 ZINC000036940262 347972574 /nfs/dbraw/zinc/97/25/74/347972574.db2.gz GMQAXUJEQJDWLT-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN Cc1ccc(C(=O)c2cc(F)ccc2F)c(C)c1 ZINC000036940264 347972505 /nfs/dbraw/zinc/97/25/05/347972505.db2.gz HBYGAZYGDLRCGP-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccccc1C(=O)c1cc(F)ccc1F ZINC000036940278 179254016 /nfs/dbraw/zinc/25/40/16/179254016.db2.gz RUOYKEQDEHYGFF-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN CC[C@@H](C)C(=O)c1c(C)cc(C)cc1C ZINC000036940402 347972538 /nfs/dbraw/zinc/97/25/38/347972538.db2.gz OWZKFSAMEBHWAQ-SNVBAGLBSA-N 0 0 204.313 3.841 10 0 BHAERN CC[C@H](C)C(=O)c1c(C)cc(C)cc1C ZINC000036940404 347972678 /nfs/dbraw/zinc/97/26/78/347972678.db2.gz OWZKFSAMEBHWAQ-JTQLQIEISA-N 0 0 204.313 3.841 10 0 BHAERN Cc1cccc(C(=O)c2ccc(F)cc2)c1C ZINC000036940498 347972802 /nfs/dbraw/zinc/97/28/02/347972802.db2.gz PEDYKGFXQALZJP-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN O=C(CC1CCCCC1)c1ccc(F)cc1 ZINC000036940500 383922011 /nfs/dbraw/zinc/92/20/11/383922011.db2.gz SBKROAPUFJFGHY-UHFFFAOYSA-N 0 0 220.287 3.979 10 0 BHAERN Cc1ccccc1CC(=O)c1ccc(F)cc1 ZINC000036940531 179260837 /nfs/dbraw/zinc/26/08/37/179260837.db2.gz IOAMSDGQQAPUEV-UHFFFAOYSA-N 0 0 228.266 3.560 10 0 BHAERN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(F)cc1 ZINC000036940547 182022723 /nfs/dbraw/zinc/02/27/23/182022723.db2.gz LFGAWWWZWJEEPQ-UHTWSYAYSA-N 0 0 232.298 3.835 10 0 BHAERN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(F)cc1 ZINC000036940549 182032178 /nfs/dbraw/zinc/03/21/78/182032178.db2.gz LFGAWWWZWJEEPQ-CYZMBNFOSA-N 0 0 232.298 3.835 10 0 BHAERN Cc1ccc(C(=O)c2ccc(F)cc2)cc1F ZINC000036940565 347972510 /nfs/dbraw/zinc/97/25/10/347972510.db2.gz CBXPFZZWPCLLGL-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN Cc1ccc(C(=O)c2ccc(F)cc2)c(C)c1 ZINC000036940574 188152031 /nfs/dbraw/zinc/15/20/31/188152031.db2.gz HMXIHUAUAFXEMP-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1cccc(C(=O)c2ccc(F)cc2F)c1C ZINC000036940598 347972556 /nfs/dbraw/zinc/97/25/56/347972556.db2.gz VEUGTFOTTRBIBD-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(F)cc1F ZINC000036940602 361580672 /nfs/dbraw/zinc/58/06/72/361580672.db2.gz NEVJSWJWWBXYFD-MRVPVSSYSA-N 0 0 212.239 3.584 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(F)cc1F ZINC000036940604 361580689 /nfs/dbraw/zinc/58/06/89/361580689.db2.gz NEVJSWJWWBXYFD-QMMMGPOBSA-N 0 0 212.239 3.584 10 0 BHAERN Cc1ccc(C(=O)c2ccc(F)cc2F)cc1C ZINC000036940640 347972642 /nfs/dbraw/zinc/97/26/42/347972642.db2.gz CEXNVDIMYGZRHR-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN CCC(CC)C(=O)c1ccc(F)cc1F ZINC000036940642 361580408 /nfs/dbraw/zinc/58/04/08/361580408.db2.gz ZVOCQPJHSKZBLY-UHFFFAOYSA-N 0 0 212.239 3.584 10 0 BHAERN Cc1ccc(C(=O)c2ccc(F)cc2F)c(C)c1 ZINC000036940659 188113266 /nfs/dbraw/zinc/11/32/66/188113266.db2.gz IUUXQKJUNSCVRY-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccc(C(=O)c2cc(F)cc(F)c2)c(C)c1 ZINC000036940995 347973528 /nfs/dbraw/zinc/97/35/28/347973528.db2.gz ZUZKYENNNZOIQI-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN CCC(CC)C(=O)c1ccc(C)cc1C ZINC000036940997 361580663 /nfs/dbraw/zinc/58/06/63/361580663.db2.gz CFKKVXGMIMDVLD-UHFFFAOYSA-N 0 0 204.313 3.922 10 0 BHAERN Cc1ccc(C(=O)c2cccc(F)c2)c(C)c1 ZINC000036941017 188324933 /nfs/dbraw/zinc/32/49/33/188324933.db2.gz CBFISAGPNHXAAB-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1ccc(C(=O)c2ccccc2C)c(C)c1 ZINC000036941021 188151708 /nfs/dbraw/zinc/15/17/08/188151708.db2.gz HKJNGBXQWSMYIB-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN Cc1ccc(C(=O)c2ccc(C)cc2C)cc1 ZINC000036941025 187768953 /nfs/dbraw/zinc/76/89/53/187768953.db2.gz OOUBQSGRXIHQHM-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN CCCc1ccc(C(=O)[C@@H](C)CC)cc1 ZINC000036941184 347973418 /nfs/dbraw/zinc/97/34/18/347973418.db2.gz MDEHBGSYNJQAGK-NSHDSACASA-N 0 0 204.313 3.868 10 0 BHAERN CCCc1ccc(C(=O)[C@H](C)CC)cc1 ZINC000036941186 361580136 /nfs/dbraw/zinc/58/01/36/361580136.db2.gz MDEHBGSYNJQAGK-LLVKDONJSA-N 0 0 204.313 3.868 10 0 BHAERN CCCc1ccc(C(=O)CC(F)(F)F)cc1 ZINC000036941188 361580774 /nfs/dbraw/zinc/58/07/74/361580774.db2.gz CMUIYMVFQQCSNB-UHFFFAOYSA-N 0 0 230.229 3.774 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000036941527 361580401 /nfs/dbraw/zinc/58/04/01/361580401.db2.gz GZIKATAPWNDGCU-MRVPVSSYSA-N 0 0 212.239 3.584 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(F)c(F)c1 ZINC000036941529 361580530 /nfs/dbraw/zinc/58/05/30/361580530.db2.gz GZIKATAPWNDGCU-QMMMGPOBSA-N 0 0 212.239 3.584 10 0 BHAERN O=C(c1ccccc1)c1cc(Cl)ccc1F ZINC000036941619 361580371 /nfs/dbraw/zinc/58/03/71/361580371.db2.gz GQLAZGPJBTVGLF-UHFFFAOYSA-N 0 0 234.657 3.710 10 0 BHAERN O=C(c1ccccc1)c1ccc(Cl)cc1F ZINC000036941621 343328351 /nfs/dbraw/zinc/32/83/51/343328351.db2.gz QNHZENWJWOPRQR-UHFFFAOYSA-N 0 0 234.657 3.710 10 0 BHAERN COc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000036941627 347974950 /nfs/dbraw/zinc/97/49/50/347974950.db2.gz OZEPIRMHRORUKD-UHFFFAOYSA-N 0 0 246.693 3.580 10 0 BHAERN O=C(c1ccccc1)c1c(F)cccc1Cl ZINC000036941629 361580454 /nfs/dbraw/zinc/58/04/54/361580454.db2.gz BVCXBYZMMMZYJX-UHFFFAOYSA-N 0 0 234.657 3.710 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000036941656 361580777 /nfs/dbraw/zinc/58/07/77/361580777.db2.gz NARPBNATAOGQAU-SECBINFHSA-N 0 0 210.704 3.959 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000036941658 361580250 /nfs/dbraw/zinc/58/02/50/361580250.db2.gz NARPBNATAOGQAU-VIFPVBQESA-N 0 0 210.704 3.959 10 0 BHAERN CCC(CC)C(=O)c1ccc(Cl)cc1 ZINC000036941701 343143498 /nfs/dbraw/zinc/14/34/98/343143498.db2.gz SWTVDVAVAQWEGG-UHFFFAOYSA-N 0 0 210.704 3.959 10 0 BHAERN O=C(c1ccc(Cl)cc1)c1ccccc1F ZINC000036941720 343328399 /nfs/dbraw/zinc/32/83/99/343328399.db2.gz QSWKFJLPMWWZJE-UHFFFAOYSA-N 0 0 234.657 3.710 10 0 BHAERN CC[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000036941778 347975269 /nfs/dbraw/zinc/97/52/69/347975269.db2.gz JALIPXXESLYLMO-MRVPVSSYSA-N 0 0 241.128 3.678 10 0 BHAERN CC[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000036941780 347975111 /nfs/dbraw/zinc/97/51/11/347975111.db2.gz JALIPXXESLYLMO-QMMMGPOBSA-N 0 0 241.128 3.678 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(CC)cc1 ZINC000036941815 361580694 /nfs/dbraw/zinc/58/06/94/361580694.db2.gz RWHNIACYISTATC-LLVKDONJSA-N 0 0 204.313 3.868 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(CC)cc1 ZINC000036941817 361580242 /nfs/dbraw/zinc/58/02/42/361580242.db2.gz RWHNIACYISTATC-NSHDSACASA-N 0 0 204.313 3.868 10 0 BHAERN CCc1ccc(C(=O)CC(C)(C)C)cc1 ZINC000036941823 361580437 /nfs/dbraw/zinc/58/04/37/361580437.db2.gz LLDGZLMBTVKDCV-UHFFFAOYSA-N 0 0 204.313 3.868 10 0 BHAERN CCc1ccc(C(=O)C(CC)CC)cc1 ZINC000036941848 361580237 /nfs/dbraw/zinc/58/02/37/361580237.db2.gz NFWMPANTLDAROC-UHFFFAOYSA-N 0 0 204.313 3.868 10 0 BHAERN CCc1ccc(C(=O)c2ccccc2C)cc1 ZINC000036941869 344483880 /nfs/dbraw/zinc/48/38/80/344483880.db2.gz XEORTDNLLGGGQW-UHFFFAOYSA-N 0 0 224.303 3.788 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(OCC)cc1 ZINC000036941883 361580642 /nfs/dbraw/zinc/58/06/42/361580642.db2.gz IYEDTKCMAUNCPE-LLVKDONJSA-N 0 0 220.312 3.704 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(OCC)cc1 ZINC000036941885 361580586 /nfs/dbraw/zinc/58/05/86/361580586.db2.gz IYEDTKCMAUNCPE-NSHDSACASA-N 0 0 220.312 3.704 10 0 BHAERN CCOc1ccc(C(=O)CCC(C)C)cc1 ZINC000036941887 170536499 /nfs/dbraw/zinc/53/64/99/170536499.db2.gz GSCYTFIPCSMARF-UHFFFAOYSA-N 0 0 220.312 3.704 10 0 BHAERN CCOc1ccc(C(=O)CC(C)(C)C)cc1 ZINC000036941891 361580646 /nfs/dbraw/zinc/58/06/46/361580646.db2.gz MGNOBYLFJBIWOV-UHFFFAOYSA-N 0 0 220.312 3.704 10 0 BHAERN CCOc1ccc(C(=O)C(CC)CC)cc1 ZINC000036941919 361580473 /nfs/dbraw/zinc/58/04/73/361580473.db2.gz JJBOSPSYMGPBKZ-UHFFFAOYSA-N 0 0 220.312 3.704 10 0 BHAERN CCOc1ccc(C(=O)c2cccc(C)c2)cc1 ZINC000036941933 344483959 /nfs/dbraw/zinc/48/39/59/344483959.db2.gz TXLFCTKGRFTVBU-UHFFFAOYSA-N 0 0 240.302 3.625 10 0 BHAERN CCC[C@@H](C)CNc1ccc(C)cc1C(=O)OC ZINC000036942208 169361098 /nfs/dbraw/zinc/36/10/98/169361098.db2.gz PNZCHYAACALBMY-GFCCVEGCSA-N 0 0 249.354 3.630 10 0 BHAERN CCC[C@H](C)CNc1ccc(C)cc1C(=O)OC ZINC000036942210 169483263 /nfs/dbraw/zinc/48/32/63/169483263.db2.gz PNZCHYAACALBMY-LBPRGKRZSA-N 0 0 249.354 3.630 10 0 BHAERN CCC(CC)CNc1ccc(C)cc1C(=O)OC ZINC000036942391 168365208 /nfs/dbraw/zinc/36/52/08/168365208.db2.gz CPOSMWZVICMQGS-UHFFFAOYSA-N 0 0 249.354 3.630 10 0 BHAERN O=C(CCc1ccccc1)c1cccs1 ZINC000036942491 181930982 /nfs/dbraw/zinc/93/09/82/181930982.db2.gz SWZHQIGKXCTPMK-UHFFFAOYSA-N 0 0 216.305 3.564 10 0 BHAERN O=C(c1cccs1)c1ccc(Cl)cc1F ZINC000036942506 347977162 /nfs/dbraw/zinc/97/71/62/347977162.db2.gz UKJDPTPNIPTVLV-UHFFFAOYSA-N 0 0 240.686 3.772 10 0 BHAERN COc1ccc(CCC(=O)c2cccs2)cc1 ZINC000036942512 175088620 /nfs/dbraw/zinc/08/86/20/175088620.db2.gz GVHVKHGJRDAEFA-UHFFFAOYSA-N 0 0 246.331 3.572 10 0 BHAERN O=C(c1cccs1)c1c(F)cccc1Cl ZINC000036942532 347976721 /nfs/dbraw/zinc/97/67/21/347976721.db2.gz UVSVGHVDGBHCOI-UHFFFAOYSA-N 0 0 240.686 3.772 10 0 BHAERN O=C(c1cccs1)c1ccc(F)cc1Cl ZINC000036942566 347976991 /nfs/dbraw/zinc/97/69/91/347976991.db2.gz AKULHHWJBJIZLX-UHFFFAOYSA-N 0 0 240.686 3.772 10 0 BHAERN Cc1cc(C)cc(C(=O)c2cccs2)c1 ZINC000036942570 347976862 /nfs/dbraw/zinc/97/68/62/347976862.db2.gz UWIYHWZUKHTWCO-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN Cc1ccc(C(=O)CCc2ccccc2)s1 ZINC000036942600 361580624 /nfs/dbraw/zinc/58/06/24/361580624.db2.gz SNCVXPYUHOLHIH-UHFFFAOYSA-N 0 0 230.332 3.872 10 0 BHAERN Cc1ccc(C(=O)c2ccccc2Cl)s1 ZINC000036942614 347976951 /nfs/dbraw/zinc/97/69/51/347976951.db2.gz JFTZWYFJUMSJQT-UHFFFAOYSA-N 0 0 236.723 3.941 10 0 BHAERN Cc1ccc(C(=O)c2ccc3c(c2)CCC3)s1 ZINC000036942626 188113637 /nfs/dbraw/zinc/11/36/37/188113637.db2.gz HMLIKSXWWIEFLQ-UHFFFAOYSA-N 0 0 242.343 3.776 10 0 BHAERN Cc1ccc(C(=O)c2ccc(C)cc2)s1 ZINC000036942728 347976919 /nfs/dbraw/zinc/97/69/19/347976919.db2.gz VEWNXYSYEGQZSE-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN Cc1ccc(C(=O)c2cccc(C)c2C)cc1 ZINC000036942763 347977030 /nfs/dbraw/zinc/97/70/30/347977030.db2.gz XPXJOOWVOPOXQH-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN Cc1ccc(C(=O)Cc2ccccc2C)cc1 ZINC000036942792 178375003 /nfs/dbraw/zinc/37/50/03/178375003.db2.gz OCZYNCUGFRDAPL-UHFFFAOYSA-N 0 0 224.303 3.729 10 0 BHAERN Cc1ccc(C(=O)c2ccc(C)c(F)c2)cc1 ZINC000036942816 347977091 /nfs/dbraw/zinc/97/70/91/347977091.db2.gz TYVOFFHWUUHADW-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1ccc(C(=O)c2cc(C)cc(C)c2)cc1 ZINC000036942832 347977809 /nfs/dbraw/zinc/97/78/09/347977809.db2.gz IMCXSIIFTRLECD-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN CCOc1ccccc1C(=O)c1ccc(C)cc1 ZINC000036942836 347977660 /nfs/dbraw/zinc/97/76/60/347977660.db2.gz UWWDHGWENVDKOF-UHFFFAOYSA-N 0 0 240.302 3.625 10 0 BHAERN CCc1ccc(C(=O)C2CCCC2)s1 ZINC000036943013 347977322 /nfs/dbraw/zinc/97/73/22/347977322.db2.gz ACYRDBMFHGWPSV-UHFFFAOYSA-N 0 0 208.326 3.683 10 0 BHAERN CC(C)(C)C(=O)c1ccc(Cl)s1 ZINC000036943083 347977531 /nfs/dbraw/zinc/97/75/31/347977531.db2.gz CYMFWACKKBEDSZ-UHFFFAOYSA-N 0 0 202.706 3.630 10 0 BHAERN O=C(Cc1ccccc1)c1ccc(Cl)s1 ZINC000036943145 347977798 /nfs/dbraw/zinc/97/77/98/347977798.db2.gz WOTLYYNAHWGAJM-UHFFFAOYSA-N 0 0 236.723 3.827 10 0 BHAERN CC[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000036943154 347977918 /nfs/dbraw/zinc/97/79/18/347977918.db2.gz GSYKWUUVGOBXPG-ZCFIWIBFSA-N 0 0 202.706 3.630 10 0 BHAERN CC[C@H](C)C(=O)c1ccc(Cl)s1 ZINC000036943156 347977552 /nfs/dbraw/zinc/97/75/52/347977552.db2.gz GSYKWUUVGOBXPG-LURJTMIESA-N 0 0 202.706 3.630 10 0 BHAERN O=C(CC(F)(F)F)c1ccc(Cl)s1 ZINC000036943158 347977876 /nfs/dbraw/zinc/97/78/76/347977876.db2.gz OKOQAGPXDYAECD-UHFFFAOYSA-N 0 0 228.622 3.537 10 0 BHAERN O=C(c1ccc(Cl)s1)c1cccc(F)c1 ZINC000036943184 347977832 /nfs/dbraw/zinc/97/78/32/347977832.db2.gz MZHXXOAJOAHDLC-UHFFFAOYSA-N 0 0 240.686 3.772 10 0 BHAERN CC(C)CCC(=O)c1c[nH]c2ccccc12 ZINC000036943645 343143313 /nfs/dbraw/zinc/14/33/13/343143313.db2.gz GZRVYHKVNCPZKO-UHFFFAOYSA-N 0 0 215.296 3.787 10 0 BHAERN CCc1cccc2c(C(=O)[C@@H](C)CC)c[nH]c21 ZINC000036943727 383920032 /nfs/dbraw/zinc/92/00/32/383920032.db2.gz ITHUOAFNNORBOF-JTQLQIEISA-N 0 0 229.323 3.959 10 0 BHAERN CCc1cccc2c(C(=O)[C@H](C)CC)c[nH]c21 ZINC000036943729 383921213 /nfs/dbraw/zinc/92/12/13/383921213.db2.gz ITHUOAFNNORBOF-SNVBAGLBSA-N 0 0 229.323 3.959 10 0 BHAERN Cc1cc(C(=O)CC(C)(C)C)c(C)s1 ZINC000036943929 347971510 /nfs/dbraw/zinc/97/15/10/347971510.db2.gz PITDNBFSAQDCPD-UHFFFAOYSA-N 0 0 210.342 3.984 10 0 BHAERN Cc1cc(C(=O)c2ccccc2)c(C)s1 ZINC000036943941 385590355 /nfs/dbraw/zinc/59/03/55/385590355.db2.gz NNBHEOGZBSZWCV-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN Cc1cc(C(=O)CC(F)(F)F)c(C)s1 ZINC000036944002 347971358 /nfs/dbraw/zinc/97/13/58/347971358.db2.gz PKMZXCZYAJHGBF-UHFFFAOYSA-N 0 0 222.231 3.500 10 0 BHAERN COc1ccc(C(=O)c2cc(C)sc2C)cc1 ZINC000036944049 175065985 /nfs/dbraw/zinc/06/59/85/175065985.db2.gz REUUJBYBNQLEAI-UHFFFAOYSA-N 0 0 246.331 3.605 10 0 BHAERN COc1ccccc1C(=O)c1cc(C)sc1C ZINC000036944055 175320174 /nfs/dbraw/zinc/32/01/74/175320174.db2.gz IVZGKXXXWDMUHY-UHFFFAOYSA-N 0 0 246.331 3.605 10 0 BHAERN CC(C)Oc1ccc(C(=O)C(C)(C)C)cc1 ZINC000036944137 167290773 /nfs/dbraw/zinc/29/07/73/167290773.db2.gz BYCYZGJBHIWYFW-UHFFFAOYSA-N 0 0 220.312 3.703 10 0 BHAERN CC(C)Oc1ccc(C(=O)CC(F)(F)F)cc1 ZINC000036944165 167290718 /nfs/dbraw/zinc/29/07/18/167290718.db2.gz SAQLLGPAJFAFSS-UHFFFAOYSA-N 0 0 246.228 3.609 10 0 BHAERN CC(C)Oc1ccc(C(=O)C2CCCC2)cc1 ZINC000036944179 167289916 /nfs/dbraw/zinc/28/99/16/167289916.db2.gz INLJQHLMGPCBOH-UHFFFAOYSA-N 0 0 232.323 3.847 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000036944778 361580618 /nfs/dbraw/zinc/58/06/18/361580618.db2.gz DSQGGVKXDKYXJY-LLVKDONJSA-N 0 0 204.313 3.922 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000036944780 361580211 /nfs/dbraw/zinc/58/02/11/361580211.db2.gz DSQGGVKXDKYXJY-NSHDSACASA-N 0 0 204.313 3.922 10 0 BHAERN Cc1ccc(C(=O)c2c(F)cccc2F)cc1C ZINC000036944798 347977705 /nfs/dbraw/zinc/97/77/05/347977705.db2.gz SPSHSJYCYBIZBA-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccc(C(=O)c2ccccc2C)cc1C ZINC000036944832 344483929 /nfs/dbraw/zinc/48/39/29/344483929.db2.gz VIMFFCXDSCCYQI-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN CC(C)C(=O)c1csc2ccccc12 ZINC000036944877 343328332 /nfs/dbraw/zinc/32/83/32/343328332.db2.gz XBEOVGLRLSFTPK-UHFFFAOYSA-N 0 0 204.294 3.740 10 0 BHAERN CCCC(=O)c1csc2ccccc12 ZINC000036944881 385589980 /nfs/dbraw/zinc/58/99/80/385589980.db2.gz BLKQGGCQOBWSBM-UHFFFAOYSA-N 0 0 204.294 3.884 10 0 BHAERN O=C(c1csc2ccccc12)c1cccnc1 ZINC000036944945 343328432 /nfs/dbraw/zinc/32/84/32/343328432.db2.gz RZWKYRKNEPYDED-UHFFFAOYSA-N 0 0 239.299 3.527 10 0 BHAERN CC(C)CCC(=O)c1cn(C)c2ccccc12 ZINC000036945792 166796822 /nfs/dbraw/zinc/79/68/22/166796822.db2.gz LEIFDNFURXMSDN-UHFFFAOYSA-N 0 0 229.323 3.797 10 0 BHAERN Cc1cccc2[nH]cc(C(=O)Cc3ccccc3)c21 ZINC000036947465 179208283 /nfs/dbraw/zinc/20/82/83/179208283.db2.gz ARKDFFSHGLAMPF-UHFFFAOYSA-N 0 0 249.313 3.902 10 0 BHAERN Cc1cccc2[nH]cc(C(=O)C3CCCC3)c21 ZINC000036947478 179208109 /nfs/dbraw/zinc/20/81/09/179208109.db2.gz QRBLHQIMGJSYTG-UHFFFAOYSA-N 0 0 227.307 3.849 10 0 BHAERN Cc1cc(N)ccc1NCc1ccc(Cl)cc1 ZINC000036950093 347979533 /nfs/dbraw/zinc/97/95/33/347979533.db2.gz PIIFFTBPFWYEJG-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1cc(N)ccc1N[C@@H](C)c1ccccc1 ZINC000036950106 178107746 /nfs/dbraw/zinc/10/77/46/178107746.db2.gz YZJKBZHMOUORDZ-LBPRGKRZSA-N 0 0 226.323 3.750 10 0 BHAERN Cc1cc(N)ccc1N[C@H](C)c1ccccc1 ZINC000036950107 178107708 /nfs/dbraw/zinc/10/77/08/178107708.db2.gz YZJKBZHMOUORDZ-GFCCVEGCSA-N 0 0 226.323 3.750 10 0 BHAERN Cc1cc(N)ccc1NCc1ccccc1Cl ZINC000036950118 178107590 /nfs/dbraw/zinc/10/75/90/178107590.db2.gz UXYNIQPWQGUSQX-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1cc(N)ccc1Nc1ccc2c(c1)CCC2 ZINC000036950179 178106457 /nfs/dbraw/zinc/10/64/57/178106457.db2.gz BUKDTZYWRMEEPL-UHFFFAOYSA-N 0 0 238.334 3.810 10 0 BHAERN COc1ccc(C)cc1Nc1ccc(N)cc1C ZINC000036950181 175079149 /nfs/dbraw/zinc/07/91/49/175079149.db2.gz PUQCDHOHXZTVDT-UHFFFAOYSA-N 0 0 242.322 3.638 10 0 BHAERN Cc1cc(N)ccc1Nc1ccc(F)cc1F ZINC000036950197 178107642 /nfs/dbraw/zinc/10/76/42/178107642.db2.gz OEXGNMFYGUKEJF-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Cc1cc(N)ccc1Nc1ccc(F)cc1C ZINC000036950202 178106374 /nfs/dbraw/zinc/10/63/74/178106374.db2.gz OOWZHXVQQVOQHZ-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1ccc(F)c(Nc2ccc(N)cc2C)c1 ZINC000036950213 178678272 /nfs/dbraw/zinc/67/82/72/178678272.db2.gz WDMXWYUJPJDTRB-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1cc(N)ccc1Nc1c(F)cccc1F ZINC000036950214 178107187 /nfs/dbraw/zinc/10/71/87/178107187.db2.gz QVXQVTQCTSLMDX-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Cc1cc(N)ccc1O[C@@H](C)c1ccccc1 ZINC000036950262 178107645 /nfs/dbraw/zinc/10/76/45/178107645.db2.gz DBRMGIZABVVPGO-LBPRGKRZSA-N 0 0 227.307 3.717 10 0 BHAERN Cc1cc(N)ccc1O[C@H](C)c1ccccc1 ZINC000036950263 178106369 /nfs/dbraw/zinc/10/63/69/178106369.db2.gz DBRMGIZABVVPGO-GFCCVEGCSA-N 0 0 227.307 3.717 10 0 BHAERN Cc1cc(N)ccc1Sc1cccs1 ZINC000036950319 347979844 /nfs/dbraw/zinc/97/98/44/347979844.db2.gz UPDNBNNIMMASSY-UHFFFAOYSA-N 0 0 221.350 3.790 10 0 BHAERN CCC[C@@H](C)CNc1cc(C(=O)OC)ccc1C ZINC000036952262 169360758 /nfs/dbraw/zinc/36/07/58/169360758.db2.gz LWZQSSKRBBBQFW-LLVKDONJSA-N 0 0 249.354 3.630 10 0 BHAERN CCC(CC)CNc1cc(C(=O)OC)ccc1C ZINC000036952290 168365345 /nfs/dbraw/zinc/36/53/45/168365345.db2.gz ZSDRGKMWUVUYRG-UHFFFAOYSA-N 0 0 249.354 3.630 10 0 BHAERN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)o1 ZINC000036960320 383920295 /nfs/dbraw/zinc/92/02/95/383920295.db2.gz NCDSDPOIUSBPNP-TXEJJXNPSA-N 0 0 233.311 3.901 10 0 BHAERN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(C)o2)o1 ZINC000036960322 383921500 /nfs/dbraw/zinc/92/15/00/383921500.db2.gz NCDSDPOIUSBPNP-RYUDHWBXSA-N 0 0 233.311 3.901 10 0 BHAERN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C)o2)o1 ZINC000036960324 383919491 /nfs/dbraw/zinc/91/94/91/383919491.db2.gz NCDSDPOIUSBPNP-VXGBXAGGSA-N 0 0 233.311 3.901 10 0 BHAERN CC(C)CC(=O)c1nc2ccccc2s1 ZINC000036960499 343328575 /nfs/dbraw/zinc/32/85/75/343328575.db2.gz XEWUYWCSJKXQMH-UHFFFAOYSA-N 0 0 219.309 3.525 10 0 BHAERN CC(C)C(=O)c1cc(Cl)sc1Cl ZINC000036961511 347981543 /nfs/dbraw/zinc/98/15/43/347981543.db2.gz XFILBZPKDLILPG-UHFFFAOYSA-N 0 0 223.124 3.894 10 0 BHAERN C[C@@H]1C[C@@H]1C(=O)c1cc(Cl)ccc1Cl ZINC000036961845 385592953 /nfs/dbraw/zinc/59/29/53/385592953.db2.gz NJWDCFPHADBIJB-SVRRBLITSA-N 0 0 229.106 3.832 10 0 BHAERN C[C@H]1C[C@@H]1C(=O)c1cc(Cl)ccc1Cl ZINC000036961846 385593050 /nfs/dbraw/zinc/59/30/50/385593050.db2.gz NJWDCFPHADBIJB-XPUUQOCRSA-N 0 0 229.106 3.832 10 0 BHAERN C[C@@H]1C[C@H]1C(=O)c1cc(Cl)ccc1Cl ZINC000036961847 385593149 /nfs/dbraw/zinc/59/31/49/385593149.db2.gz NJWDCFPHADBIJB-HTRCEHHLSA-N 0 0 229.106 3.832 10 0 BHAERN C[C@H]1C[C@H]1C(=O)c1cc(Cl)ccc1Cl ZINC000036961848 385592811 /nfs/dbraw/zinc/59/28/11/385592811.db2.gz NJWDCFPHADBIJB-POYBYMJQSA-N 0 0 229.106 3.832 10 0 BHAERN Cc1ccc(NCc2ccccc2Cl)c(N)c1 ZINC000036964562 347990556 /nfs/dbraw/zinc/99/05/56/347990556.db2.gz SXQBDDIINBZJDM-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN COc1ccc(C)cc1Nc1ccc(C)cc1N ZINC000036964585 175079392 /nfs/dbraw/zinc/07/93/92/175079392.db2.gz ANALTFYGKIYJQB-UHFFFAOYSA-N 0 0 242.322 3.638 10 0 BHAERN Cc1ccc(Sc2ccc(F)cc2)c(N)c1 ZINC000036964628 343328655 /nfs/dbraw/zinc/32/86/55/343328655.db2.gz RGYCYJROOKCQDF-UHFFFAOYSA-N 0 0 233.311 3.868 10 0 BHAERN c1cc2cc(NCC3CC3)ccc2s1 ZINC000036976361 347988425 /nfs/dbraw/zinc/98/84/25/347988425.db2.gz VMXDUNLMMJWSDH-UHFFFAOYSA-N 0 0 203.310 3.723 10 0 BHAERN CCC[C@@H](C)CNc1cccnc1Cl ZINC000036982437 169361657 /nfs/dbraw/zinc/36/16/57/169361657.db2.gz GFBXIRMFMSHUOA-SECBINFHSA-N 0 0 212.724 3.583 10 0 BHAERN C[C@H](CNc1cccnc1Cl)c1ccccc1 ZINC000036982490 176687419 /nfs/dbraw/zinc/68/74/19/176687419.db2.gz REAPOYFKLMTLFS-LLVKDONJSA-N 0 0 246.741 3.951 10 0 BHAERN Cc1ccccc1CNc1cccnc1Cl ZINC000036982607 179286041 /nfs/dbraw/zinc/28/60/41/179286041.db2.gz QHDXKJJZKWNFOQ-UHFFFAOYSA-N 0 0 232.714 3.656 10 0 BHAERN Cc1ccc(CNc2cccnc2Cl)cc1 ZINC000036982608 178639501 /nfs/dbraw/zinc/63/95/01/178639501.db2.gz HDYVZWYBDWGACN-UHFFFAOYSA-N 0 0 232.714 3.656 10 0 BHAERN CCC(CC)CNc1cccnc1Cl ZINC000036982665 168366154 /nfs/dbraw/zinc/36/61/54/168366154.db2.gz BZOWWYURDDIXIZ-UHFFFAOYSA-N 0 0 212.724 3.583 10 0 BHAERN Clc1ncccc1NCC1CCCCC1 ZINC000036982666 343329102 /nfs/dbraw/zinc/32/91/02/343329102.db2.gz ITLOBICNHRRSBM-UHFFFAOYSA-N 0 0 224.735 3.727 10 0 BHAERN CC[C@H](C)Nc1ccc(NC(C)=O)c(Cl)c1 ZINC000036983173 188286113 /nfs/dbraw/zinc/28/61/13/188286113.db2.gz VGXFWTDWKYAXPY-QMMMGPOBSA-N 0 0 240.734 3.509 10 0 BHAERN Cc1nc2cc(NC(C3CC3)C3CC3)ccc2o1 ZINC000036984092 180082323 /nfs/dbraw/zinc/08/23/23/180082323.db2.gz OWRSAZSFZDVVPM-UHFFFAOYSA-N 0 0 242.322 3.737 10 0 BHAERN Nc1cccc(Cl)c1NCc1cccs1 ZINC000036984614 181744985 /nfs/dbraw/zinc/74/49/85/181744985.db2.gz HNEDDOJWOZIDEQ-UHFFFAOYSA-N 0 0 238.743 3.596 10 0 BHAERN CCc1ccccc1Oc1ccc(CO)cc1 ZINC000036985128 171892143 /nfs/dbraw/zinc/89/21/43/171892143.db2.gz JLNMPLKYMWSFBQ-UHFFFAOYSA-N 0 0 228.291 3.534 10 0 BHAERN CC(=O)CCc1ccc(Cl)cc1Cl ZINC000036988226 188285869 /nfs/dbraw/zinc/28/58/69/188285869.db2.gz OMDVBOFOZHJTIO-UHFFFAOYSA-N 0 0 217.095 3.515 10 0 BHAERN CCC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000036988258 168205089 /nfs/dbraw/zinc/20/50/89/168205089.db2.gz LDTMAOFMLRDKKA-UHFFFAOYSA-N 0 0 231.122 3.905 10 0 BHAERN c1[nH]nc2ccc(N[C@H]3CCc4ccccc43)cc12 ZINC000036989581 384470150 /nfs/dbraw/zinc/47/01/50/384470150.db2.gz WXIFWJNHYYTGNZ-INIZCTEOSA-N 0 0 249.317 3.662 10 0 BHAERN c1[nH]nc2ccc(N[C@@H]3CCc4ccccc43)cc12 ZINC000036989582 183447778 /nfs/dbraw/zinc/44/77/78/183447778.db2.gz WXIFWJNHYYTGNZ-MRXNPFEDSA-N 0 0 249.317 3.662 10 0 BHAERN c1ccc(CCNc2cnc3ccccc3c2)cc1 ZINC000036989893 183395075 /nfs/dbraw/zinc/39/50/75/183395075.db2.gz ANICLMXZCDICLT-UHFFFAOYSA-N 0 0 248.329 3.889 10 0 BHAERN CC(C)CCNc1cnc2ccccc2c1 ZINC000036989907 262965544 /nfs/dbraw/zinc/96/55/44/262965544.db2.gz KXWJLEKIDROGED-UHFFFAOYSA-N 0 0 214.312 3.693 10 0 BHAERN c1ccc2ncc(NC3CCSCC3)cc2c1 ZINC000036990096 183460502 /nfs/dbraw/zinc/46/05/02/183460502.db2.gz YHYANSSLZWTFKE-UHFFFAOYSA-N 0 0 244.363 3.542 10 0 BHAERN Cc1nc(N)sc1SCCC(C)(C)C ZINC000037036583 180001444 /nfs/dbraw/zinc/00/14/44/180001444.db2.gz KVRRLIBBCIYTTB-UHFFFAOYSA-N 0 0 230.402 3.562 10 0 BHAERN CCC[C@@H](C)CNc1cccc(C(=O)OC)c1C ZINC000037047292 169360976 /nfs/dbraw/zinc/36/09/76/169360976.db2.gz NPZSSPNQSDKWRA-LLVKDONJSA-N 0 0 249.354 3.630 10 0 BHAERN CCC(CC)CNc1cccc(C(=O)OC)c1C ZINC000037047382 168366114 /nfs/dbraw/zinc/36/61/14/168366114.db2.gz BSOZNUDSSZUHMM-UHFFFAOYSA-N 0 0 249.354 3.630 10 0 BHAERN C[C@@H]1C[C@H](Nc2cccc(CO)c2)CC(C)(C)C1 ZINC000037048525 324228217 /nfs/dbraw/zinc/22/82/17/324228217.db2.gz VAONJGDCOXSSBO-DOMZBBRYSA-N 0 0 247.382 3.806 10 0 BHAERN C[C@H]1C[C@H](Nc2cccc(CO)c2)CC(C)(C)C1 ZINC000037048526 324228388 /nfs/dbraw/zinc/22/83/88/324228388.db2.gz VAONJGDCOXSSBO-WFASDCNBSA-N 0 0 247.382 3.806 10 0 BHAERN C[C@@H]1C[C@@H](Nc2cccc(CO)c2)CC(C)(C)C1 ZINC000037048527 324228114 /nfs/dbraw/zinc/22/81/14/324228114.db2.gz VAONJGDCOXSSBO-IUODEOHRSA-N 0 0 247.382 3.806 10 0 BHAERN C[C@H]1C[C@@H](Nc2cccc(CO)c2)CC(C)(C)C1 ZINC000037048528 324228315 /nfs/dbraw/zinc/22/83/15/324228315.db2.gz VAONJGDCOXSSBO-SWLSCSKDSA-N 0 0 247.382 3.806 10 0 BHAERN CC[C@@H](C)CNc1ccc(Cl)cc1F ZINC000037056277 348017974 /nfs/dbraw/zinc/01/79/74/348017974.db2.gz WFFUKJHKZHDRSB-MRVPVSSYSA-N 0 0 215.699 3.937 10 0 BHAERN CC[C@H](C)CNc1ccc(Cl)cc1F ZINC000037056278 348018309 /nfs/dbraw/zinc/01/83/09/348018309.db2.gz WFFUKJHKZHDRSB-QMMMGPOBSA-N 0 0 215.699 3.937 10 0 BHAERN Fc1cc(Cl)ccc1NCc1ccco1 ZINC000037056376 188279808 /nfs/dbraw/zinc/27/98/08/188279808.db2.gz VGTUQBRGQGPMHM-UHFFFAOYSA-N 0 0 225.650 3.684 10 0 BHAERN CC[C@@H](C)Nc1ccc(Cl)cc1F ZINC000037056495 348018174 /nfs/dbraw/zinc/01/81/74/348018174.db2.gz SLVXPNRESBPEEI-SSDOTTSWSA-N 0 0 201.672 3.690 10 0 BHAERN CC[C@H](C)Nc1ccc(Cl)cc1F ZINC000037056496 348018452 /nfs/dbraw/zinc/01/84/52/348018452.db2.gz SLVXPNRESBPEEI-ZETCQYMHSA-N 0 0 201.672 3.690 10 0 BHAERN CC(C)[C@@H](C)Nc1ccc(Cl)cc1F ZINC000037056525 343332051 /nfs/dbraw/zinc/33/20/51/343332051.db2.gz YNRSCNZMSAKDHV-MRVPVSSYSA-N 0 0 215.699 3.936 10 0 BHAERN CC(C)[C@H](C)Nc1ccc(Cl)cc1F ZINC000037056526 348018115 /nfs/dbraw/zinc/01/81/15/348018115.db2.gz YNRSCNZMSAKDHV-QMMMGPOBSA-N 0 0 215.699 3.936 10 0 BHAERN CC[C@@H](C)Nc1ccc(Cl)c(F)c1 ZINC000037070068 348019113 /nfs/dbraw/zinc/01/91/13/348019113.db2.gz CDSJTUVTYPRJRO-SSDOTTSWSA-N 0 0 201.672 3.690 10 0 BHAERN CC[C@H](C)Nc1ccc(Cl)c(F)c1 ZINC000037070069 348019047 /nfs/dbraw/zinc/01/90/47/348019047.db2.gz CDSJTUVTYPRJRO-ZETCQYMHSA-N 0 0 201.672 3.690 10 0 BHAERN CC(C)[C@@H](C)Nc1ccc(Cl)c(F)c1 ZINC000037070102 348018820 /nfs/dbraw/zinc/01/88/20/348018820.db2.gz UYDXJAQAZNIBDW-MRVPVSSYSA-N 0 0 215.699 3.936 10 0 BHAERN CC(C)[C@H](C)Nc1ccc(Cl)c(F)c1 ZINC000037070103 348019244 /nfs/dbraw/zinc/01/92/44/348019244.db2.gz UYDXJAQAZNIBDW-QMMMGPOBSA-N 0 0 215.699 3.936 10 0 BHAERN CCNc1ccccc1-c1cccs1 ZINC000037075765 348019160 /nfs/dbraw/zinc/01/91/60/348019160.db2.gz OILXSVUOWPNAKV-UHFFFAOYSA-N 0 0 203.310 3.847 10 0 BHAERN CC(C)CC[C@@H](C)Nc1ccccc1N(C)C ZINC000037086125 166893782 /nfs/dbraw/zinc/89/37/82/166893782.db2.gz IKRQCCIBMDQITQ-CYBMUJFWSA-N 0 0 234.387 3.989 10 0 BHAERN C[C@@H](Nc1ccccc1N(C)C)c1cccs1 ZINC000037086198 175934137 /nfs/dbraw/zinc/93/41/37/175934137.db2.gz BQPICKBPKMYKFW-LLVKDONJSA-N 0 0 246.379 3.987 10 0 BHAERN Cc1ccc([C@@H](C)Nc2ccccc2N(C)C)o1 ZINC000037086241 178850680 /nfs/dbraw/zinc/85/06/80/178850680.db2.gz VMSAMCXBKBSNAW-GFCCVEGCSA-N 0 0 244.338 3.827 10 0 BHAERN Cc1ccc(Br)cc1NCC(C)C ZINC000037091175 178362277 /nfs/dbraw/zinc/36/22/77/178362277.db2.gz VXWOOCDDIXJTKM-UHFFFAOYSA-N 0 0 242.160 3.825 10 0 BHAERN CCCNc1cc(Br)ccc1C ZINC000037091495 169293688 /nfs/dbraw/zinc/29/36/88/169293688.db2.gz BOFHCTOSSWZAFZ-UHFFFAOYSA-N 0 0 228.133 3.579 10 0 BHAERN CCCN(c1ccc(F)cc1C(C)=O)C(C)C ZINC000037096301 169182912 /nfs/dbraw/zinc/18/29/12/169182912.db2.gz DHHZZXJLNSLMKK-UHFFFAOYSA-N 0 0 237.318 3.653 10 0 BHAERN CCCN(c1ccc(C(C)=O)cc1F)C(C)C ZINC000037096302 169182844 /nfs/dbraw/zinc/18/28/44/169182844.db2.gz CRVOLCPVRUZLSK-UHFFFAOYSA-N 0 0 237.318 3.653 10 0 BHAERN CCC[C@@H](C)CNc1ccc(C(=O)OC)cc1C ZINC000037099302 169360760 /nfs/dbraw/zinc/36/07/60/169360760.db2.gz CZWNKCSPPQRJLU-LLVKDONJSA-N 0 0 249.354 3.630 10 0 BHAERN CCC(CC)CNc1ccc(C(=O)OC)cc1C ZINC000037099387 168365200 /nfs/dbraw/zinc/36/52/00/168365200.db2.gz VMXMUCSTHLLOIC-UHFFFAOYSA-N 0 0 249.354 3.630 10 0 BHAERN C[C@@H]1CCC[C@H](Nc2cccc3c[nH]nc32)C1 ZINC000037100194 176145370 /nfs/dbraw/zinc/14/53/70/176145370.db2.gz FYMCWNAOMIGHRD-PWSUYJOCSA-N 0 0 229.327 3.554 10 0 BHAERN C[C@H]1CCC[C@H](Nc2cccc3c[nH]nc32)C1 ZINC000037100195 177138482 /nfs/dbraw/zinc/13/84/82/177138482.db2.gz FYMCWNAOMIGHRD-JQWIXIFHSA-N 0 0 229.327 3.554 10 0 BHAERN C[C@@H]1CCC[C@@H](Nc2cccc3c[nH]nc32)C1 ZINC000037100196 176124534 /nfs/dbraw/zinc/12/45/34/176124534.db2.gz FYMCWNAOMIGHRD-ZYHUDNBSSA-N 0 0 229.327 3.554 10 0 BHAERN CCCC(CCC)Nc1cccc2c[nH]nc21 ZINC000037100322 343334137 /nfs/dbraw/zinc/33/41/37/343334137.db2.gz JSYIPDVNKFOKHE-UHFFFAOYSA-N 0 0 231.343 3.944 10 0 BHAERN CCc1ccc(C(=O)c2ccc(F)cc2F)cc1 ZINC000037116914 348019029 /nfs/dbraw/zinc/01/90/29/348019029.db2.gz DQVBVQLQLOFNEZ-UHFFFAOYSA-N 0 0 246.256 3.758 10 0 BHAERN CCCCC(=O)c1ccc(OC)cc1Cl ZINC000037117131 361681937 /nfs/dbraw/zinc/68/19/37/361681937.db2.gz POPHMTRMCKIFPU-UHFFFAOYSA-N 0 0 226.703 3.722 10 0 BHAERN CC(C)C[C@@H](C)Nc1cccc(-n2cccn2)c1 ZINC000037127495 324315374 /nfs/dbraw/zinc/31/53/74/324315374.db2.gz ZSCXHRXZDLZVJX-CYBMUJFWSA-N 0 0 243.354 3.719 10 0 BHAERN CC(C)C[C@H](C)Nc1cccc(-n2cccn2)c1 ZINC000037127496 324315894 /nfs/dbraw/zinc/31/58/94/324315894.db2.gz ZSCXHRXZDLZVJX-ZDUSSCGKSA-N 0 0 243.354 3.719 10 0 BHAERN C[C@@H](CNc1ccc(O)cc1)c1ccccc1 ZINC000037131710 343335361 /nfs/dbraw/zinc/33/53/61/343335361.db2.gz CSZPBUGVQISWMI-LBPRGKRZSA-N 0 0 227.307 3.608 10 0 BHAERN C[C@H](CNc1ccc(O)cc1)c1ccccc1 ZINC000037131711 343335420 /nfs/dbraw/zinc/33/54/20/343335420.db2.gz CSZPBUGVQISWMI-GFCCVEGCSA-N 0 0 227.307 3.608 10 0 BHAERN Oc1ccc(NCc2ccc(Cl)s2)cc1 ZINC000037131716 183276595 /nfs/dbraw/zinc/27/65/95/183276595.db2.gz KYINJSODTHOUEJ-UHFFFAOYSA-N 0 0 239.727 3.719 10 0 BHAERN Oc1cccc2c(NCc3ccco3)cccc12 ZINC000037132320 183293909 /nfs/dbraw/zinc/29/39/09/183293909.db2.gz NPUGWVVTUBNHMV-UHFFFAOYSA-N 0 0 239.274 3.751 10 0 BHAERN C[C@@H]1C[C@H](Nc2ccccc2CO)CC(C)(C)C1 ZINC000037133806 324332732 /nfs/dbraw/zinc/33/27/32/324332732.db2.gz DDLUHUIVENBSSK-OCCSQVGLSA-N 0 0 247.382 3.806 10 0 BHAERN C[C@H]1C[C@H](Nc2ccccc2CO)CC(C)(C)C1 ZINC000037133807 324332669 /nfs/dbraw/zinc/33/26/69/324332669.db2.gz DDLUHUIVENBSSK-JSGCOSHPSA-N 0 0 247.382 3.806 10 0 BHAERN C[C@@H]1C[C@@H](Nc2ccccc2CO)CC(C)(C)C1 ZINC000037133808 324332861 /nfs/dbraw/zinc/33/28/61/324332861.db2.gz DDLUHUIVENBSSK-TZMCWYRMSA-N 0 0 247.382 3.806 10 0 BHAERN C[C@H]1C[C@@H](Nc2ccccc2CO)CC(C)(C)C1 ZINC000037133809 324332561 /nfs/dbraw/zinc/33/25/61/324332561.db2.gz DDLUHUIVENBSSK-GXTWGEPZSA-N 0 0 247.382 3.806 10 0 BHAERN CC1CCC(Nc2ccc3cn[nH]c3c2)CC1 ZINC000037134177 168165458 /nfs/dbraw/zinc/16/54/58/168165458.db2.gz UGFCMUYFWQRPRN-UHFFFAOYSA-N 0 0 229.327 3.554 10 0 BHAERN CC(C)CCNc1cccc(-c2cc[nH]n2)c1 ZINC000037137267 166867841 /nfs/dbraw/zinc/86/78/41/166867841.db2.gz YGKCJMZEGZSCRD-UHFFFAOYSA-N 0 0 229.327 3.535 10 0 BHAERN CCOCc1ccccc1NCc1cccs1 ZINC000037160095 170458774 /nfs/dbraw/zinc/45/87/74/170458774.db2.gz BRIYKIMBPHELGY-UHFFFAOYSA-N 0 0 247.363 3.897 10 0 BHAERN CCOCc1ccccc1NCc1ccccc1 ZINC000037160220 170458899 /nfs/dbraw/zinc/45/88/99/170458899.db2.gz AOHVGNZKGRZPJS-UHFFFAOYSA-N 0 0 241.334 3.835 10 0 BHAERN CC[C@@H](C)CN(C)c1ccc(F)cc1C(C)=O ZINC000037173466 170699398 /nfs/dbraw/zinc/69/93/98/170699398.db2.gz QBHLPSLNUSWFCI-SNVBAGLBSA-N 0 0 237.318 3.511 10 0 BHAERN CC[C@H](C)CN(C)c1ccc(F)cc1C(C)=O ZINC000037173467 171275789 /nfs/dbraw/zinc/27/57/89/171275789.db2.gz QBHLPSLNUSWFCI-JTQLQIEISA-N 0 0 237.318 3.511 10 0 BHAERN CC[C@H](C)CN(C)c1ccc(C(C)=O)cc1F ZINC000037173469 171276114 /nfs/dbraw/zinc/27/61/14/171276114.db2.gz JSTRVZINZOHYPX-JTQLQIEISA-N 0 0 237.318 3.511 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000037175699 169353895 /nfs/dbraw/zinc/35/38/95/169353895.db2.gz UNSFNBOYZVLEIV-MNOVXSKESA-N 0 0 232.323 3.629 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000037175701 169354529 /nfs/dbraw/zinc/35/45/29/169354529.db2.gz UNSFNBOYZVLEIV-GHMZBOCLSA-N 0 0 232.323 3.629 10 0 BHAERN Nc1ccc(SC2CCCCC2)cc1 ZINC000037182456 348034350 /nfs/dbraw/zinc/03/43/50/348034350.db2.gz QKCOHPSENACEKA-UHFFFAOYSA-N 0 0 207.342 3.694 10 0 BHAERN COc1cccc(CSc2ccc(N)cc2)c1 ZINC000037182520 175270844 /nfs/dbraw/zinc/27/08/44/175270844.db2.gz VWBZRXKQMMOYSL-UHFFFAOYSA-N 0 0 245.347 3.570 10 0 BHAERN Nc1ccc(SCc2cccs2)cc1 ZINC000037182538 348034262 /nfs/dbraw/zinc/03/42/62/348034262.db2.gz UTSNDQXDBRBUCC-UHFFFAOYSA-N 0 0 221.350 3.623 10 0 BHAERN COc1ccc(CSc2ccc(N)cc2)cc1 ZINC000037182552 175114945 /nfs/dbraw/zinc/11/49/45/175114945.db2.gz JFUDXLXCIQUYOZ-UHFFFAOYSA-N 0 0 245.347 3.570 10 0 BHAERN Cc1ncsc1[C@@H](C)Nc1ccccc1 ZINC000037186166 180327125 /nfs/dbraw/zinc/32/71/25/180327125.db2.gz CVBWZNKBBVTDRR-SNVBAGLBSA-N 0 0 218.325 3.625 10 0 BHAERN Cc1ncsc1[C@H](C)Nc1ccccc1 ZINC000037186167 180327365 /nfs/dbraw/zinc/32/73/65/180327365.db2.gz CVBWZNKBBVTDRR-JTQLQIEISA-N 0 0 218.325 3.625 10 0 BHAERN CC(C)=CCSc1ccc(C)cc1N ZINC000037193329 348052931 /nfs/dbraw/zinc/05/29/31/348052931.db2.gz AXGWFVAQSWYNPV-UHFFFAOYSA-N 0 0 207.342 3.636 10 0 BHAERN Cc1cc(N)ccc1SCCc1ccccc1 ZINC000037193898 178107231 /nfs/dbraw/zinc/10/72/31/178107231.db2.gz DNHXKKQXOKLYKO-UHFFFAOYSA-N 0 0 243.375 3.912 10 0 BHAERN COc1ccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)cc1Cl ZINC000037195670 175154584 /nfs/dbraw/zinc/15/45/84/175154584.db2.gz WQZQOVOMHWKPKC-SUZMYJTESA-N 0 0 249.741 3.725 10 0 BHAERN COc1ccc(N[C@@H]2C[C@@H]3CC=C[C@H]23)cc1Cl ZINC000037195672 175154705 /nfs/dbraw/zinc/15/47/05/175154705.db2.gz WQZQOVOMHWKPKC-XHVZSJERSA-N 0 0 249.741 3.725 10 0 BHAERN Cc1ncsc1[C@@H](C)Nc1cccc(F)c1 ZINC000037202756 180326347 /nfs/dbraw/zinc/32/63/47/180326347.db2.gz JJEAFVNLJPOYLT-SECBINFHSA-N 0 0 236.315 3.764 10 0 BHAERN Cc1ncsc1[C@H](C)Nc1cccc(F)c1 ZINC000037202757 180326639 /nfs/dbraw/zinc/32/66/39/180326639.db2.gz JJEAFVNLJPOYLT-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN Nc1cccc(Cl)c1SCC(F)(F)F ZINC000037204382 181745323 /nfs/dbraw/zinc/74/53/23/181745323.db2.gz XYPXWWIPKRAPFW-UHFFFAOYSA-N 0 0 241.665 3.577 10 0 BHAERN Nc1cccc(Cl)c1SC/C=C/Cl ZINC000037204393 348198644 /nfs/dbraw/zinc/19/86/44/348198644.db2.gz VLFOIMADZWCSII-GORDUTHDSA-N 0 0 234.151 3.767 10 0 BHAERN CC(C)Sc1ccc(Br)cc1N ZINC000037205796 348197356 /nfs/dbraw/zinc/19/73/56/348197356.db2.gz YZHZIVSTODSUPA-UHFFFAOYSA-N 0 0 246.173 3.532 10 0 BHAERN Oc1ccccc1-c1nc2cc(F)ccc2s1 ZINC000037206069 183299549 /nfs/dbraw/zinc/29/95/49/183299549.db2.gz DMBGZMGTIODISL-UHFFFAOYSA-N 0 0 245.278 3.808 10 0 BHAERN CCCNc1nc2cccc(Cl)c2s1 ZINC000037206157 348197790 /nfs/dbraw/zinc/19/77/90/348197790.db2.gz VPIFFGVFUSRJHY-UHFFFAOYSA-N 0 0 226.732 3.772 10 0 BHAERN Clc1cccc2nc(NC3CC3)sc21 ZINC000037206188 348197794 /nfs/dbraw/zinc/19/77/94/348197794.db2.gz IYMMMQFKCCTNDY-UHFFFAOYSA-N 0 0 224.716 3.524 10 0 BHAERN Clc1ccc2sc(NC3CC3)nc2c1 ZINC000037206191 348197473 /nfs/dbraw/zinc/19/74/73/348197473.db2.gz VQMWWVZJMKRFNR-UHFFFAOYSA-N 0 0 224.716 3.524 10 0 BHAERN Cc1ncsc1[C@@H](C)Nc1ccc(F)cc1 ZINC000037210702 180326284 /nfs/dbraw/zinc/32/62/84/180326284.db2.gz IJPSHWSEOYCKBF-SECBINFHSA-N 0 0 236.315 3.764 10 0 BHAERN Cc1ncsc1[C@H](C)Nc1ccc(F)cc1 ZINC000037210704 180326782 /nfs/dbraw/zinc/32/67/82/180326782.db2.gz IJPSHWSEOYCKBF-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN Cc1ncsc1[C@@H](C)Nc1ccccc1F ZINC000037211338 180327695 /nfs/dbraw/zinc/32/76/95/180327695.db2.gz RMZBSHHASQCOEC-SECBINFHSA-N 0 0 236.315 3.764 10 0 BHAERN Cc1ncsc1[C@H](C)Nc1ccccc1F ZINC000037211339 180326754 /nfs/dbraw/zinc/32/67/54/180326754.db2.gz RMZBSHHASQCOEC-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN Cc1ccccc1Cn1ccc2ccc(N)cc21 ZINC000037222398 179294474 /nfs/dbraw/zinc/29/44/74/179294474.db2.gz KBAFQZCCKIDOQO-UHFFFAOYSA-N 0 0 236.318 3.580 10 0 BHAERN Cc1cccc(Cn2ccc3ccc(N)cc32)c1 ZINC000037222402 179109563 /nfs/dbraw/zinc/10/95/63/179109563.db2.gz PYDLUMZFEKNLNS-UHFFFAOYSA-N 0 0 236.318 3.580 10 0 BHAERN O=Cc1cc(F)ccc1Oc1cccc(F)c1 ZINC000037234632 182863630 /nfs/dbraw/zinc/86/36/30/182863630.db2.gz DLHKMAQQHPPVQQ-UHFFFAOYSA-N 0 0 234.201 3.570 10 0 BHAERN Cc1cn(Cc2ccccc2N)c2ccccc12 ZINC000037245138 179560756 /nfs/dbraw/zinc/56/07/56/179560756.db2.gz CAMBOXMKJGVGIQ-UHFFFAOYSA-N 0 0 236.318 3.580 10 0 BHAERN CCCc1ccc(Nc2ccc(Cl)nn2)cc1 ZINC000037249415 169572577 /nfs/dbraw/zinc/57/25/77/169572577.db2.gz QHHHBXVSISRMPY-UHFFFAOYSA-N 0 0 247.729 3.826 10 0 BHAERN Clc1cccnc1NCC1CCCCC1 ZINC000037250157 180596690 /nfs/dbraw/zinc/59/66/90/180596690.db2.gz HRIRBMXZMNAOSR-UHFFFAOYSA-N 0 0 224.735 3.727 10 0 BHAERN CC(C)C[C@H](C)Nc1ncccc1C(F)(F)F ZINC000037265081 187596909 /nfs/dbraw/zinc/59/69/09/187596909.db2.gz WBNGKTAJEXIOAL-VIFPVBQESA-N 0 0 246.276 3.947 10 0 BHAERN CC[C@H](Nc1ccc(N(C)C)cc1)C(C)C ZINC000037270181 712565100 /nfs/dbraw/zinc/56/51/00/712565100.db2.gz NYVCLZYAVAPIAN-AWEZNQCLSA-N 0 0 220.360 3.599 10 0 BHAERN CC[C@@H](Nc1ccc(N(C)C)cc1)C(C)C ZINC000037270183 712565093 /nfs/dbraw/zinc/56/50/93/712565093.db2.gz NYVCLZYAVAPIAN-CQSZACIVSA-N 0 0 220.360 3.599 10 0 BHAERN CCCC[C@@H](C)Nc1ccccc1COC ZINC000037274905 324555893 /nfs/dbraw/zinc/55/58/93/324555893.db2.gz RJIATLBHGJGXEH-GFCCVEGCSA-N 0 0 221.344 3.824 10 0 BHAERN CCCC[C@H](C)Nc1ccccc1COC ZINC000037274908 324555365 /nfs/dbraw/zinc/55/53/65/324555365.db2.gz RJIATLBHGJGXEH-LBPRGKRZSA-N 0 0 221.344 3.824 10 0 BHAERN CC[C@H](Nc1cccnc1Cl)C(C)C ZINC000037283635 348307137 /nfs/dbraw/zinc/30/71/37/348307137.db2.gz OWMWEEXLXOTZJE-VIFPVBQESA-N 0 0 212.724 3.582 10 0 BHAERN CC[C@@H](Nc1cccnc1Cl)C(C)C ZINC000037283636 348306897 /nfs/dbraw/zinc/30/68/97/348306897.db2.gz OWMWEEXLXOTZJE-SECBINFHSA-N 0 0 212.724 3.582 10 0 BHAERN Cc1ccc(CNc2cccnc2Cl)cc1C ZINC000037283689 178640337 /nfs/dbraw/zinc/64/03/37/178640337.db2.gz HVYHRUQWABQHPV-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN C[C@H](Nc1ccc2n[nH]cc2c1)C1CCCCC1 ZINC000037284010 176934215 /nfs/dbraw/zinc/93/42/15/176934215.db2.gz ZOLSHCICQUVXQE-NSHDSACASA-N 0 0 243.354 3.944 10 0 BHAERN C[C@@H](Nc1ccc2n[nH]cc2c1)C1CCCCC1 ZINC000037284011 175931625 /nfs/dbraw/zinc/93/16/25/175931625.db2.gz ZOLSHCICQUVXQE-LLVKDONJSA-N 0 0 243.354 3.944 10 0 BHAERN CCC(C)(C)OCc1ccc(N)c2cccnc12 ZINC000037285343 168304788 /nfs/dbraw/zinc/30/47/88/168304788.db2.gz GMWLCLPLZSQLJR-UHFFFAOYSA-N 0 0 244.338 3.522 10 0 BHAERN CC[C@H](C)SCc1ccc(N)c2cccnc12 ZINC000037285771 171356854 /nfs/dbraw/zinc/35/68/54/171356854.db2.gz MPZOYMOTULMLQW-JTQLQIEISA-N 0 0 246.379 3.849 10 0 BHAERN CCCc1ccc(Nc2cccc(N)c2)cc1 ZINC000037287388 169572873 /nfs/dbraw/zinc/57/28/73/169572873.db2.gz RSRUTYRRIIHQRR-UHFFFAOYSA-N 0 0 226.323 3.965 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(OC)c(C)c1 ZINC000037289031 361873481 /nfs/dbraw/zinc/87/34/81/361873481.db2.gz FSDNSFLWKIENIT-SNVBAGLBSA-N 0 0 220.312 3.623 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(OC)c(C)c1 ZINC000037289032 361873610 /nfs/dbraw/zinc/87/36/10/361873610.db2.gz FSDNSFLWKIENIT-JTQLQIEISA-N 0 0 220.312 3.623 10 0 BHAERN COc1ccc(C(=O)CC(C)(C)C)cc1C ZINC000037289038 361872922 /nfs/dbraw/zinc/87/29/22/361872922.db2.gz VESKXUSHJISSIU-UHFFFAOYSA-N 0 0 220.312 3.623 10 0 BHAERN CCC(CC)C(=O)c1ccc(OC)c(C)c1 ZINC000037289082 361873386 /nfs/dbraw/zinc/87/33/86/361873386.db2.gz YWNRZKSSOOESCR-UHFFFAOYSA-N 0 0 220.312 3.623 10 0 BHAERN COc1ccc(NCC2CCCCC2)cc1F ZINC000037290459 175150373 /nfs/dbraw/zinc/15/03/73/175150373.db2.gz FTZPTUSLLCJPBI-UHFFFAOYSA-N 0 0 237.318 3.827 10 0 BHAERN COc1ccc(NC2CCCCCC2)cc1F ZINC000037290502 175149845 /nfs/dbraw/zinc/14/98/45/175149845.db2.gz KVJDLUHIZUMFES-UHFFFAOYSA-N 0 0 237.318 3.969 10 0 BHAERN Cc1ccc(-n2nc(C(C)C)cc2N)cc1Cl ZINC000037291324 178348750 /nfs/dbraw/zinc/34/87/50/178348750.db2.gz OHKSUASCBQPUPB-UHFFFAOYSA-N 0 0 249.745 3.540 10 0 BHAERN CCCOc1cccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)c1 ZINC000037292420 169325916 /nfs/dbraw/zinc/32/59/16/169325916.db2.gz GOSVODUNLSPMGR-UHOFOFEASA-N 0 0 243.350 3.852 10 0 BHAERN CCCOc1cccc(N[C@@H]2C[C@@H]3CC=C[C@H]23)c1 ZINC000037292422 169326224 /nfs/dbraw/zinc/32/62/24/169326224.db2.gz GOSVODUNLSPMGR-VBNZEHGJSA-N 0 0 243.350 3.852 10 0 BHAERN c1ccc2[nH]c(-c3ccc4c(c3)CCCN4)nc2c1 ZINC000037322919 183433852 /nfs/dbraw/zinc/43/38/52/183433852.db2.gz XBHLTDGSNGPGMX-UHFFFAOYSA-N 0 0 249.317 3.588 10 0 BHAERN [NH3+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000037329608 348328127 /nfs/dbraw/zinc/32/81/27/348328127.db2.gz LIPNLBFWXATWRS-UHFFFAOYSA-N 0 0 223.728 3.527 10 0 BHAERN CC(=O)CCCOc1ccc(C(C)C)cc1 ZINC000037330037 187761523 /nfs/dbraw/zinc/76/15/23/187761523.db2.gz DAOQVKOOFCUNTJ-UHFFFAOYSA-N 0 0 220.312 3.558 10 0 BHAERN CC(=O)CCCOc1cccc(C(C)(C)C)c1 ZINC000037330747 187940019 /nfs/dbraw/zinc/94/00/19/187940019.db2.gz FULQEMQVPYNLJT-UHFFFAOYSA-N 0 0 234.339 3.732 10 0 BHAERN CCSCc1cc(Cl)cc(C(C)=O)c1O ZINC000037331090 361909200 /nfs/dbraw/zinc/90/92/00/361909200.db2.gz HGEXTAAOLKIAIQ-UHFFFAOYSA-N 0 0 244.743 3.501 10 0 BHAERN Clc1cccc(Oc2cc(Cl)ncn2)c1 ZINC000037342078 343343473 /nfs/dbraw/zinc/34/34/73/343343473.db2.gz YZLMMFLBFKEKID-UHFFFAOYSA-N 0 0 241.077 3.576 10 0 BHAERN Clc1cc(Oc2ccccc2Cl)ncn1 ZINC000037342089 180576781 /nfs/dbraw/zinc/57/67/81/180576781.db2.gz LNKQYIFWCOQSMX-UHFFFAOYSA-N 0 0 241.077 3.576 10 0 BHAERN Cc1ccc(-c2[nH]nc(N)c2-c2ccccc2)cc1 ZINC000037348500 178331465 /nfs/dbraw/zinc/33/14/65/178331465.db2.gz YJBMBNKSKITZMM-UHFFFAOYSA-N 0 0 249.317 3.634 10 0 BHAERN CCCCSCC(=O)c1cccc(C)c1 ZINC000037351725 362966757 /nfs/dbraw/zinc/96/67/57/362966757.db2.gz JCSDBBNQRZSXJB-UHFFFAOYSA-N 0 0 222.353 3.711 10 0 BHAERN CCCCSCC(=O)c1cccc(F)c1 ZINC000037351755 342929094 /nfs/dbraw/zinc/92/90/94/342929094.db2.gz LOLFMLBXFSIBCN-UHFFFAOYSA-N 0 0 226.316 3.542 10 0 BHAERN CCCCSCC(=O)c1ccc(C)cc1 ZINC000037351773 342929189 /nfs/dbraw/zinc/92/91/89/342929189.db2.gz VRRHDJWHWCMFQV-UHFFFAOYSA-N 0 0 222.353 3.711 10 0 BHAERN CCCCSCC(=O)c1ccccc1F ZINC000037351777 342929070 /nfs/dbraw/zinc/92/90/70/342929070.db2.gz DOTSDPZQGKNSAP-UHFFFAOYSA-N 0 0 226.316 3.542 10 0 BHAERN CCCCSCC(=O)c1ccc(F)cc1 ZINC000037351783 342929057 /nfs/dbraw/zinc/92/90/57/342929057.db2.gz IPMRPKPIJKWBLM-UHFFFAOYSA-N 0 0 226.316 3.542 10 0 BHAERN CCCCS[C@@H](C)C(=O)c1ccccc1 ZINC000037351841 342929184 /nfs/dbraw/zinc/92/91/84/342929184.db2.gz QFAMWXVKNWZMQW-NSHDSACASA-N 0 0 222.353 3.791 10 0 BHAERN CCCCS[C@H](C)C(=O)c1ccccc1 ZINC000037351843 342928970 /nfs/dbraw/zinc/92/89/70/342928970.db2.gz QFAMWXVKNWZMQW-LLVKDONJSA-N 0 0 222.353 3.791 10 0 BHAERN CCCCSCC(=O)c1ccccc1C ZINC000037351899 342928998 /nfs/dbraw/zinc/92/89/98/342928998.db2.gz NQZQOGUHPVXRFR-UHFFFAOYSA-N 0 0 222.353 3.711 10 0 BHAERN Cc1cccc(C(=O)CSCC(C)C)c1 ZINC000037351907 342929111 /nfs/dbraw/zinc/92/91/11/342929111.db2.gz GXYBUTWTPGALNQ-UHFFFAOYSA-N 0 0 222.353 3.567 10 0 BHAERN Cc1ccccc1C(=O)CSCC(C)C ZINC000037351929 342929643 /nfs/dbraw/zinc/92/96/43/342929643.db2.gz TXBPWFVERASBTL-UHFFFAOYSA-N 0 0 222.353 3.567 10 0 BHAERN CCS[C@@H](C)C(=O)c1cc(C)ccc1C ZINC000037353186 362968342 /nfs/dbraw/zinc/96/83/42/362968342.db2.gz BFEKPKILOPARCM-NSHDSACASA-N 0 0 222.353 3.628 10 0 BHAERN CCS[C@H](C)C(=O)c1cc(C)ccc1C ZINC000037353188 362967979 /nfs/dbraw/zinc/96/79/79/362967979.db2.gz BFEKPKILOPARCM-LLVKDONJSA-N 0 0 222.353 3.628 10 0 BHAERN CCS[C@@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037353194 362967953 /nfs/dbraw/zinc/96/79/53/362967953.db2.gz DGDQLWWBUDVSHX-NSHDSACASA-N 0 0 222.353 3.628 10 0 BHAERN CCS[C@H](C)C(=O)c1ccc(C)c(C)c1 ZINC000037353196 362968101 /nfs/dbraw/zinc/96/81/01/362968101.db2.gz DGDQLWWBUDVSHX-LLVKDONJSA-N 0 0 222.353 3.628 10 0 BHAERN CCCc1ccc(C(=O)CSCC)cc1 ZINC000037353198 362968500 /nfs/dbraw/zinc/96/85/00/362968500.db2.gz OBZLDYOMGYYMHV-UHFFFAOYSA-N 0 0 222.353 3.575 10 0 BHAERN CCSCC(=O)c1cc(C)c(C)cc1C ZINC000037353200 362968135 /nfs/dbraw/zinc/96/81/35/362968135.db2.gz MMUOTWVDXYXTCB-UHFFFAOYSA-N 0 0 222.353 3.548 10 0 BHAERN CCS[C@H](C)C(=O)c1ccc(CC)cc1 ZINC000037353210 362967900 /nfs/dbraw/zinc/96/79/00/362967900.db2.gz HGAOXOGTAFDHED-SNVBAGLBSA-N 0 0 222.353 3.573 10 0 BHAERN CCS[C@@H](C)C(=O)c1ccc(CC)cc1 ZINC000037353212 362968424 /nfs/dbraw/zinc/96/84/24/362968424.db2.gz HGAOXOGTAFDHED-JTQLQIEISA-N 0 0 222.353 3.573 10 0 BHAERN CCS[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000037353226 362968093 /nfs/dbraw/zinc/96/80/93/362968093.db2.gz VXBFBJICOCBWLU-QMMMGPOBSA-N 0 0 228.744 3.664 10 0 BHAERN CCS[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000037353228 362968671 /nfs/dbraw/zinc/96/86/71/362968671.db2.gz VXBFBJICOCBWLU-MRVPVSSYSA-N 0 0 228.744 3.664 10 0 BHAERN CCSCC(=O)c1ccc(C(C)C)cc1 ZINC000037353242 362968493 /nfs/dbraw/zinc/96/84/93/362968493.db2.gz FBBZQZAOOKZSEI-UHFFFAOYSA-N 0 0 222.353 3.746 10 0 BHAERN CC[C@@H](C)SCC(=O)c1cccc(C)c1 ZINC000037353299 342929613 /nfs/dbraw/zinc/92/96/13/342929613.db2.gz PRSOKGWOUWHXLP-LLVKDONJSA-N 0 0 222.353 3.709 10 0 BHAERN CC[C@H](C)SCC(=O)c1cccc(C)c1 ZINC000037353301 342929360 /nfs/dbraw/zinc/92/93/60/342929360.db2.gz PRSOKGWOUWHXLP-NSHDSACASA-N 0 0 222.353 3.709 10 0 BHAERN CC[C@@H](C)SCC(=O)c1ccccc1C ZINC000037353342 362968298 /nfs/dbraw/zinc/96/82/98/362968298.db2.gz LGVJCCLXTLSPMG-LLVKDONJSA-N 0 0 222.353 3.709 10 0 BHAERN CC[C@H](C)SCC(=O)c1ccccc1C ZINC000037353344 362968205 /nfs/dbraw/zinc/96/82/05/362968205.db2.gz LGVJCCLXTLSPMG-NSHDSACASA-N 0 0 222.353 3.709 10 0 BHAERN Cc1cccc(C(=O)CSC(C)(C)C)c1 ZINC000037353354 362967913 /nfs/dbraw/zinc/96/79/13/362967913.db2.gz CNBAQMLQSJUTBA-UHFFFAOYSA-N 0 0 222.353 3.709 10 0 BHAERN Cc1ccccc1C(=O)CSC(C)(C)C ZINC000037353364 362968195 /nfs/dbraw/zinc/96/81/95/362968195.db2.gz RGJMZOHUCCNWKT-UHFFFAOYSA-N 0 0 222.353 3.709 10 0 BHAERN CCCSCC(=O)c1ccc(SC)cc1 ZINC000037353454 342929529 /nfs/dbraw/zinc/92/95/29/342929529.db2.gz FNEXTZSRKLUCDD-UHFFFAOYSA-N 0 0 240.393 3.734 10 0 BHAERN CCCS[C@@H](CC)C(=O)c1ccccc1 ZINC000037353524 342929608 /nfs/dbraw/zinc/92/96/08/342929608.db2.gz YFPFDICRPSZSKJ-LBPRGKRZSA-N 0 0 222.353 3.791 10 0 BHAERN CCCS[C@H](CC)C(=O)c1ccccc1 ZINC000037353526 362966655 /nfs/dbraw/zinc/96/66/55/362966655.db2.gz YFPFDICRPSZSKJ-GFCCVEGCSA-N 0 0 222.353 3.791 10 0 BHAERN Cc1ccc(C)c(C(=O)c2c(F)cccc2F)c1 ZINC000037353547 348348922 /nfs/dbraw/zinc/34/89/22/348348922.db2.gz PSZQEVXCFHOSHV-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccc(C)c(C(=O)c2ccc(F)c(F)c2)c1 ZINC000037353557 348349033 /nfs/dbraw/zinc/34/90/33/348349033.db2.gz XBMHNOYMYWTXQG-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccc(C)c(C(=O)c2cc(F)cc(F)c2)c1 ZINC000037353583 348348711 /nfs/dbraw/zinc/34/87/11/348348711.db2.gz IOEMNFOSYFAIEN-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccc(C)c(C(=O)c2ccc(C)c(F)c2)c1 ZINC000037353609 348349109 /nfs/dbraw/zinc/34/91/09/348349109.db2.gz BFJHLAGZXUCFEY-UHFFFAOYSA-N 0 0 242.293 3.982 10 0 BHAERN Cc1ccc(C)c(C(=O)c2ccc(F)cc2F)c1 ZINC000037353617 348349059 /nfs/dbraw/zinc/34/90/59/348349059.db2.gz PQTMNUCUYLNGCM-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1cccc(C(=O)c2cc(F)ccc2F)c1C ZINC000037353966 348350080 /nfs/dbraw/zinc/35/00/80/348350080.db2.gz WBHPRBREXVWFJJ-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN O=C(CCc1ccccc1)c1cc(F)ccc1F ZINC000037353974 348351195 /nfs/dbraw/zinc/35/11/95/348351195.db2.gz KXVOSMBPDLWTFT-UHFFFAOYSA-N 0 0 246.256 3.780 10 0 BHAERN CCc1ccc(C(=O)c2cc(F)ccc2F)cc1 ZINC000037353984 348351819 /nfs/dbraw/zinc/35/18/19/348351819.db2.gz DTLSMRLQPIDDQF-UHFFFAOYSA-N 0 0 246.256 3.758 10 0 BHAERN Cc1ccc(C)c(C(=O)c2cc(F)ccc2F)c1 ZINC000037353986 348351833 /nfs/dbraw/zinc/35/18/33/348351833.db2.gz HUCUJBFIHVMCNW-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccc(C(=O)c2cc(F)ccc2F)cc1C ZINC000037354036 348352277 /nfs/dbraw/zinc/35/22/77/348352277.db2.gz HOQXQKXNLRMNEU-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1cc(C)cc(C(=O)c2cc(F)ccc2F)c1 ZINC000037354064 348352048 /nfs/dbraw/zinc/35/20/48/348352048.db2.gz PNSPVXPDAJFYOJ-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1cc(C)cc(C(=O)c2ccc(F)cc2F)c1 ZINC000037354671 348353430 /nfs/dbraw/zinc/35/34/30/348353430.db2.gz JHOVLCZRWYUPGM-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccc(C(=O)Cc2ccc(F)cc2)c(C)c1 ZINC000037355198 178374205 /nfs/dbraw/zinc/37/42/05/178374205.db2.gz LXHULAYNHAUSTQ-UHFFFAOYSA-N 0 0 242.293 3.868 10 0 BHAERN Cc1ccc(C(=O)c2c(F)cccc2F)c(C)c1 ZINC000037355216 348345645 /nfs/dbraw/zinc/34/56/45/348345645.db2.gz WTZDKZVXOZTACI-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccc(C(=O)c2ccc(F)c(F)c2)c(C)c1 ZINC000037355224 348345908 /nfs/dbraw/zinc/34/59/08/348345908.db2.gz IBVJPQQVXZRKSC-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccc(C(=O)c2ccc(C)c(F)c2)c(C)c1 ZINC000037356724 348347022 /nfs/dbraw/zinc/34/70/22/348347022.db2.gz KNTVUQNPUOCRLK-UHFFFAOYSA-N 0 0 242.293 3.982 10 0 BHAERN Cc1cccc(C(=O)c2ccc(F)c(F)c2)c1C ZINC000037357710 179026516 /nfs/dbraw/zinc/02/65/16/179026516.db2.gz NXFYHMMMJYSIST-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN CCc1ccc(C(=O)c2c(F)cccc2F)cc1 ZINC000037358096 348346703 /nfs/dbraw/zinc/34/67/03/348346703.db2.gz BEIWVMVVLMCPAS-UHFFFAOYSA-N 0 0 246.256 3.758 10 0 BHAERN CCc1ccc(C(=O)c2ccc(C)c(F)c2)cc1 ZINC000037358175 348346943 /nfs/dbraw/zinc/34/69/43/348346943.db2.gz HFXCWEIWOOJLNZ-UHFFFAOYSA-N 0 0 242.293 3.928 10 0 BHAERN CCOc1ccc(C(=O)c2ccccc2C)cc1 ZINC000037358351 170538442 /nfs/dbraw/zinc/53/84/42/170538442.db2.gz WZBOEPRXHQAGQM-UHFFFAOYSA-N 0 0 240.302 3.625 10 0 BHAERN O=C(CCC1CCCC1)c1ccc2c(c1)CCO2 ZINC000037358612 348346837 /nfs/dbraw/zinc/34/68/37/348346837.db2.gz COFZXLIGMSWGND-UHFFFAOYSA-N 0 0 244.334 3.775 10 0 BHAERN O=C(Cc1ccccc1)c1ccc2c(c1)CCC2 ZINC000037360299 182045532 /nfs/dbraw/zinc/04/55/32/182045532.db2.gz QAYOHSRRRRRBQN-UHFFFAOYSA-N 0 0 236.314 3.601 10 0 BHAERN O=C(CCc1ccccc1)c1c[nH]c2ccccc12 ZINC000037361380 181931290 /nfs/dbraw/zinc/93/12/90/181931290.db2.gz PSTFCYYFEIMXAQ-UHFFFAOYSA-N 0 0 249.313 3.983 10 0 BHAERN CCc1cccc2c(C(=O)c3ccccc3)c[nH]c21 ZINC000037361605 383972056 /nfs/dbraw/zinc/97/20/56/383972056.db2.gz DGWAPTIIGUXXHP-UHFFFAOYSA-N 0 0 249.313 3.961 10 0 BHAERN Cc1ccc(C(=O)c2ccc(C)c(F)c2)cc1C ZINC000037363194 348356743 /nfs/dbraw/zinc/35/67/43/348356743.db2.gz IBGDPQZOOLCFLG-UHFFFAOYSA-N 0 0 242.293 3.982 10 0 BHAERN Cc1cccc2[nH]cc(C(=O)c3ccccc3)c21 ZINC000037367632 179207558 /nfs/dbraw/zinc/20/75/58/179207558.db2.gz ZAPICIJLICOHRE-UHFFFAOYSA-N 0 0 235.286 3.707 10 0 BHAERN Clc1nsnc1Nc1cccc(Cl)c1 ZINC000037372127 180590941 /nfs/dbraw/zinc/59/09/41/180590941.db2.gz USEDBWGRRQXATB-UHFFFAOYSA-N 0 0 246.122 3.589 10 0 BHAERN Clc1nsnc1Nc1ccc(Cl)cc1 ZINC000037372131 343343799 /nfs/dbraw/zinc/34/37/99/343343799.db2.gz AEKCGLIHTOXNAL-UHFFFAOYSA-N 0 0 246.122 3.589 10 0 BHAERN Clc1nsnc1Nc1ccccc1Cl ZINC000037372143 343343954 /nfs/dbraw/zinc/34/39/54/343343954.db2.gz BVHXCWQUAQUSNB-UHFFFAOYSA-N 0 0 246.122 3.589 10 0 BHAERN Cc1cccc(Nc2nsnc2Cl)c1C ZINC000037372162 343343862 /nfs/dbraw/zinc/34/38/62/343343862.db2.gz MRCAVGRJSVWKDK-UHFFFAOYSA-N 0 0 239.731 3.552 10 0 BHAERN O=Cc1ccc(-c2cccc3cnccc32)s1 ZINC000037373215 712577828 /nfs/dbraw/zinc/57/78/28/712577828.db2.gz MVHAIIPWRZPBNW-UHFFFAOYSA-N 0 0 239.299 3.776 10 0 BHAERN CC(C)[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000037375432 348390891 /nfs/dbraw/zinc/39/08/91/348390891.db2.gz COKRIWGYLQADKP-ZETCQYMHSA-N 0 0 224.156 3.711 10 0 BHAERN CC(C)C(=O)c1cc(Cl)ccc1Cl ZINC000037375436 348390889 /nfs/dbraw/zinc/39/08/89/348390889.db2.gz NZSLDHUXVMTZDW-UHFFFAOYSA-N 0 0 217.095 3.832 10 0 BHAERN CCC(=O)c1cc(Cl)sc1Cl ZINC000037375438 168254699 /nfs/dbraw/zinc/25/46/99/168254699.db2.gz GLEXZNRMUTVHFA-UHFFFAOYSA-N 0 0 209.097 3.648 10 0 BHAERN Cc1ccccc1Nc1ccc2ncccc2c1N ZINC000037377837 179308314 /nfs/dbraw/zinc/30/83/14/179308314.db2.gz HHIMAKKUSOXXAL-UHFFFAOYSA-N 0 0 249.317 3.869 10 0 BHAERN C[C@@H]1C[C@@H]1C(=O)c1cc(Cl)sc1Cl ZINC000037378999 348387937 /nfs/dbraw/zinc/38/79/37/348387937.db2.gz TUKKQYBDCUBWNQ-UHNVWZDZSA-N 0 0 235.135 3.894 10 0 BHAERN C[C@H]1C[C@@H]1C(=O)c1cc(Cl)sc1Cl ZINC000037379002 348387956 /nfs/dbraw/zinc/38/79/56/348387956.db2.gz TUKKQYBDCUBWNQ-WHFBIAKZSA-N 0 0 235.135 3.894 10 0 BHAERN C[C@@H]1C[C@H]1C(=O)c1cc(Cl)sc1Cl ZINC000037379005 348387883 /nfs/dbraw/zinc/38/78/83/348387883.db2.gz TUKKQYBDCUBWNQ-RFZPGFLSSA-N 0 0 235.135 3.894 10 0 BHAERN C[C@H]1C[C@H]1C(=O)c1cc(Cl)sc1Cl ZINC000037379008 348387782 /nfs/dbraw/zinc/38/77/82/348387782.db2.gz TUKKQYBDCUBWNQ-CRCLSJGQSA-N 0 0 235.135 3.894 10 0 BHAERN O=C(c1cc(Cl)sc1Cl)C1CC1 ZINC000037379052 348387850 /nfs/dbraw/zinc/38/78/50/348387850.db2.gz MTWFCMVZOITGSA-UHFFFAOYSA-N 0 0 221.108 3.648 10 0 BHAERN CC(C)C[C@](C)(O)c1ccc(Cl)cc1 ZINC000037379617 348388449 /nfs/dbraw/zinc/38/84/49/348388449.db2.gz YJUGMKSAUHFOII-LBPRGKRZSA-N 0 0 212.720 3.594 10 0 BHAERN CC(C)C[C@@](C)(O)c1ccc(Cl)cc1 ZINC000037379620 348388615 /nfs/dbraw/zinc/38/86/15/348388615.db2.gz YJUGMKSAUHFOII-GFCCVEGCSA-N 0 0 212.720 3.594 10 0 BHAERN CC(C)C[C@](C)(O)c1cccc(Cl)c1 ZINC000037379694 348388611 /nfs/dbraw/zinc/38/86/11/348388611.db2.gz MRFRBHFFJXCOMI-LBPRGKRZSA-N 0 0 212.720 3.594 10 0 BHAERN CC(C)C[C@@](C)(O)c1cccc(Cl)c1 ZINC000037379697 348388687 /nfs/dbraw/zinc/38/86/87/348388687.db2.gz MRFRBHFFJXCOMI-GFCCVEGCSA-N 0 0 212.720 3.594 10 0 BHAERN C[C@@](O)(c1ccccc1)c1cccc(Cl)c1 ZINC000037379700 348388526 /nfs/dbraw/zinc/38/85/26/348388526.db2.gz LZSPLIRSEZLDIL-CQSZACIVSA-N 0 0 232.710 3.596 10 0 BHAERN C[C@](O)(c1ccccc1)c1cccc(Cl)c1 ZINC000037379704 348388683 /nfs/dbraw/zinc/38/86/83/348388683.db2.gz LZSPLIRSEZLDIL-AWEZNQCLSA-N 0 0 232.710 3.596 10 0 BHAERN CC(C)C[C@](C)(O)c1ccccc1Cl ZINC000037379775 348388624 /nfs/dbraw/zinc/38/86/24/348388624.db2.gz RGJHFYLVUDAFCP-LBPRGKRZSA-N 0 0 212.720 3.594 10 0 BHAERN CC(C)C[C@@](C)(O)c1ccccc1Cl ZINC000037379778 348388534 /nfs/dbraw/zinc/38/85/34/348388534.db2.gz RGJHFYLVUDAFCP-GFCCVEGCSA-N 0 0 212.720 3.594 10 0 BHAERN CC(=O)c1sc2c(cc(F)cc2F)c1C ZINC000037382036 348395425 /nfs/dbraw/zinc/39/54/25/348395425.db2.gz DRJHQHDFQWFKFJ-UHFFFAOYSA-N 0 0 226.247 3.691 10 0 BHAERN Cc1cc(C)cc(-c2nc3ccccc3[nH]2)c1 ZINC000037400355 177889979 /nfs/dbraw/zinc/88/99/79/177889979.db2.gz AABFCGJQMLOCCW-UHFFFAOYSA-N 0 0 222.291 3.847 10 0 BHAERN Cc1ccc(NCc2ccc(Cl)cc2)c(N)c1 ZINC000037401197 348421389 /nfs/dbraw/zinc/42/13/89/348421389.db2.gz ABAQQNBWBQIHKR-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1ccc(N[C@@H]2CCC[C@H](C)[C@@H]2C)c(N)c1 ZINC000037401278 178773322 /nfs/dbraw/zinc/77/33/22/178773322.db2.gz MMLNHNQRPSWHBT-SGMGOOAPSA-N 0 0 232.371 3.814 10 0 BHAERN CCc1cccc(Nc2ccc(C)cc2N)c1 ZINC000037401436 171864934 /nfs/dbraw/zinc/86/49/34/171864934.db2.gz ZESNJMHWGYYXLE-UHFFFAOYSA-N 0 0 226.323 3.883 10 0 BHAERN CC(C)(C)SCc1ccc(Cl)c(N)c1 ZINC000037402976 348421532 /nfs/dbraw/zinc/42/15/32/348421532.db2.gz AEEAVXADYLLWJL-UHFFFAOYSA-N 0 0 229.776 3.954 10 0 BHAERN Cc1cccc(OCc2cc(N)ccc2Cl)c1 ZINC000037403302 179172224 /nfs/dbraw/zinc/17/22/24/179172224.db2.gz CQUJANNROXICIK-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN CCCC(=O)CCc1ccccc1Cl ZINC000037408507 364006827 /nfs/dbraw/zinc/00/68/27/364006827.db2.gz IKIRPWKJNRYKTQ-UHFFFAOYSA-N 0 0 210.704 3.642 10 0 BHAERN CCCC(=O)CCc1cccc(Cl)c1 ZINC000037408508 364006743 /nfs/dbraw/zinc/00/67/43/364006743.db2.gz QNIVVLPALRLDPY-UHFFFAOYSA-N 0 0 210.704 3.642 10 0 BHAERN CCCC(=O)CCc1ccc(Cl)cc1 ZINC000037408509 364006967 /nfs/dbraw/zinc/00/69/67/364006967.db2.gz PMADMIPDBBWJNG-UHFFFAOYSA-N 0 0 210.704 3.642 10 0 BHAERN CCOc1ccccc1-c1nc(C)cc(Cl)n1 ZINC000037409229 188287465 /nfs/dbraw/zinc/28/74/65/188287465.db2.gz OGDLHEYSNVVKDF-UHFFFAOYSA-N 0 0 248.713 3.504 10 0 BHAERN Cc1cc(Cl)nc(-c2ccccc2Cl)n1 ZINC000037409230 178071572 /nfs/dbraw/zinc/07/15/72/178071572.db2.gz WPIYHYYYOYFZAO-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN Cc1cc(Cl)c2ccc(Cl)c(F)c2n1 ZINC000037413017 348420934 /nfs/dbraw/zinc/42/09/34/348420934.db2.gz LMFPRBRKLFCAMJ-UHFFFAOYSA-N 0 0 230.069 3.989 10 0 BHAERN Cc1cc(Cl)c2cc(F)cc(Cl)c2n1 ZINC000037413067 348420826 /nfs/dbraw/zinc/42/08/26/348420826.db2.gz IOWDPXHRVDHCCA-UHFFFAOYSA-N 0 0 230.069 3.989 10 0 BHAERN O=C(CSc1cccs1)c1ccccc1 ZINC000037415399 364014713 /nfs/dbraw/zinc/01/47/13/364014713.db2.gz OPZUHNPLYQRIDV-UHFFFAOYSA-N 0 0 234.345 3.723 10 0 BHAERN CCS[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037415411 364015053 /nfs/dbraw/zinc/01/50/53/364015053.db2.gz BZTJAJKYXYLBKI-QMMMGPOBSA-N 0 0 228.744 3.664 10 0 BHAERN CCS[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037415413 342930963 /nfs/dbraw/zinc/93/09/63/342930963.db2.gz BZTJAJKYXYLBKI-MRVPVSSYSA-N 0 0 228.744 3.664 10 0 BHAERN CC(=O)CCOc1ccc(C(C)(C)C)cc1C ZINC000037417992 188287599 /nfs/dbraw/zinc/28/75/99/188287599.db2.gz AEOSSUMMRDPYED-UHFFFAOYSA-N 0 0 234.339 3.650 10 0 BHAERN Cc1cc(F)ccc1Nc1cccc(F)c1N ZINC000037419476 178090823 /nfs/dbraw/zinc/09/08/23/178090823.db2.gz QNAASUWUNYCNEV-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Cc1cccc(Nc2cccc(F)c2N)c1C ZINC000037419483 179159614 /nfs/dbraw/zinc/15/96/14/179159614.db2.gz TYDZLVPNCLKRCR-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1ccc(Oc2cccc(F)c2N)cc1C ZINC000037420048 178820489 /nfs/dbraw/zinc/82/04/89/178820489.db2.gz ALJPLCGJMQWEHY-UHFFFAOYSA-N 0 0 231.270 3.817 10 0 BHAERN C[C@H](Oc1cccc(F)c1N)c1ccccc1 ZINC000037420227 177024110 /nfs/dbraw/zinc/02/41/10/177024110.db2.gz VFHQCGFLERIAES-JTQLQIEISA-N 0 0 231.270 3.548 10 0 BHAERN C[C@@H](Oc1cccc(F)c1N)c1ccccc1 ZINC000037420230 176004539 /nfs/dbraw/zinc/00/45/39/176004539.db2.gz VFHQCGFLERIAES-SNVBAGLBSA-N 0 0 231.270 3.548 10 0 BHAERN Nc1c(F)cccc1Sc1cccs1 ZINC000037420704 348428936 /nfs/dbraw/zinc/42/89/36/348428936.db2.gz PPVWNPDQDAENMH-UHFFFAOYSA-N 0 0 225.313 3.621 10 0 BHAERN Fc1cccc2c1[nH]c(=S)n2-c1ccccc1 ZINC000037422683 181008116 /nfs/dbraw/zinc/00/81/16/181008116.db2.gz UNDILRYSJQOAIJ-UHFFFAOYSA-N 0 0 244.294 3.827 10 0 BHAERN CC(C)COc1c(Cl)cc(N)cc1Cl ZINC000037428619 348470302 /nfs/dbraw/zinc/47/03/02/348470302.db2.gz ANHUDEZTRADROB-UHFFFAOYSA-N 0 0 234.126 3.610 10 0 BHAERN Oc1ccccc1-c1nc2c(cccc2Cl)[nH]1 ZINC000037444517 183299770 /nfs/dbraw/zinc/29/97/70/183299770.db2.gz BFXLXZXQLKXFKN-UHFFFAOYSA-N 0 0 244.681 3.589 10 0 BHAERN O=C(Cc1nc2ccccc2o1)CC1CCCC1 ZINC000037457605 364042262 /nfs/dbraw/zinc/04/22/62/364042262.db2.gz DMGBHXTXTKQBPQ-UHFFFAOYSA-N 0 0 243.306 3.520 10 0 BHAERN CCC1CCC(O)(c2ccc(C)cc2)CC1 ZINC000037462695 259448170 /nfs/dbraw/zinc/44/81/70/259448170.db2.gz POIFFQHEFSTDOQ-UHFFFAOYSA-N 0 0 218.340 3.783 10 0 BHAERN O=C(CCc1ccccc1)c1ccsc1 ZINC000037464068 181931633 /nfs/dbraw/zinc/93/16/33/181931633.db2.gz AMQYEBGXBHJSDK-UHFFFAOYSA-N 0 0 216.305 3.564 10 0 BHAERN Cc1ccc(C(=O)C2CCCCC2)cc1F ZINC000037464218 342932405 /nfs/dbraw/zinc/93/24/05/342932405.db2.gz RMNUYTHVBXWNFQ-UHFFFAOYSA-N 0 0 220.287 3.897 10 0 BHAERN Cc1ccc(C(=O)C2CCCC2)cc1F ZINC000037464222 348615867 /nfs/dbraw/zinc/61/58/67/348615867.db2.gz UNLJUDLVQPQEPR-UHFFFAOYSA-N 0 0 206.260 3.507 10 0 BHAERN Cc1cccc([C@H](O)c2ccc(Cl)cc2)c1 ZINC000037464469 179202529 /nfs/dbraw/zinc/20/25/29/179202529.db2.gz JUNTYJLAYORCBK-CQSZACIVSA-N 0 0 232.710 3.730 10 0 BHAERN Cc1cccc([C@@H](O)c2ccc(Cl)cc2)c1 ZINC000037464471 179188839 /nfs/dbraw/zinc/18/88/39/179188839.db2.gz JUNTYJLAYORCBK-AWEZNQCLSA-N 0 0 232.710 3.730 10 0 BHAERN O[C@H](Cc1ccc(Cl)cc1)c1cccs1 ZINC000037464477 183227868 /nfs/dbraw/zinc/22/78/68/183227868.db2.gz ZYDUAEVGOYBPMH-LLVKDONJSA-N 0 0 238.739 3.678 10 0 BHAERN O[C@@H](Cc1ccc(Cl)cc1)c1cccs1 ZINC000037464479 183183091 /nfs/dbraw/zinc/18/30/91/183183091.db2.gz ZYDUAEVGOYBPMH-NSHDSACASA-N 0 0 238.739 3.678 10 0 BHAERN O[C@@H](Cc1cccc(Cl)c1)c1cccs1 ZINC000037464481 183183880 /nfs/dbraw/zinc/18/38/80/183183880.db2.gz KXYWBNCIOWTYHM-NSHDSACASA-N 0 0 238.739 3.678 10 0 BHAERN O[C@H](Cc1cccc(Cl)c1)c1cccs1 ZINC000037464483 183227446 /nfs/dbraw/zinc/22/74/46/183227446.db2.gz KXYWBNCIOWTYHM-LLVKDONJSA-N 0 0 238.739 3.678 10 0 BHAERN O[C@@H](Cc1ccccc1Cl)c1cccs1 ZINC000037464536 183182975 /nfs/dbraw/zinc/18/29/75/183182975.db2.gz ZELBWMQFWULQGE-NSHDSACASA-N 0 0 238.739 3.678 10 0 BHAERN O[C@H](Cc1ccccc1Cl)c1cccs1 ZINC000037464538 183227091 /nfs/dbraw/zinc/22/70/91/183227091.db2.gz ZELBWMQFWULQGE-LLVKDONJSA-N 0 0 238.739 3.678 10 0 BHAERN CCC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000037464544 364047735 /nfs/dbraw/zinc/04/77/35/364047735.db2.gz NQGYBXZCPSRRLG-JTQLQIEISA-N 0 0 218.218 3.539 10 0 BHAERN CCC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000037464546 388858776 /nfs/dbraw/zinc/85/87/76/388858776.db2.gz NQGYBXZCPSRRLG-SNVBAGLBSA-N 0 0 218.218 3.539 10 0 BHAERN CC(C)C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000037464550 187423713 /nfs/dbraw/zinc/42/37/13/187423713.db2.gz GHPFZYWDWLBZAP-LLVKDONJSA-N 0 0 232.245 3.785 10 0 BHAERN O[C@@H](Cc1ccccc1)c1cccc(Cl)c1 ZINC000037464579 183183852 /nfs/dbraw/zinc/18/38/52/183183852.db2.gz BLTASTNTJCYLHR-AWEZNQCLSA-N 0 0 232.710 3.616 10 0 BHAERN O[C@H](Cc1ccccc1)c1cccc(Cl)c1 ZINC000037464581 183227732 /nfs/dbraw/zinc/22/77/32/183227732.db2.gz BLTASTNTJCYLHR-CQSZACIVSA-N 0 0 232.710 3.616 10 0 BHAERN Cc1ccccc1[C@H](O)c1cccc(Cl)c1 ZINC000037464583 179345599 /nfs/dbraw/zinc/34/55/99/179345599.db2.gz SPIMPKSXGLDLKO-CQSZACIVSA-N 0 0 232.710 3.730 10 0 BHAERN Cc1ccccc1[C@@H](O)c1cccc(Cl)c1 ZINC000037464585 179326745 /nfs/dbraw/zinc/32/67/45/179326745.db2.gz SPIMPKSXGLDLKO-AWEZNQCLSA-N 0 0 232.710 3.730 10 0 BHAERN O[C@H](Cc1cccc(Cl)c1)c1ccccc1 ZINC000037464595 183227841 /nfs/dbraw/zinc/22/78/41/183227841.db2.gz CCBXRVZEUYAMPO-CQSZACIVSA-N 0 0 232.710 3.616 10 0 BHAERN O[C@@H](Cc1cccc(Cl)c1)c1ccccc1 ZINC000037464597 183183072 /nfs/dbraw/zinc/18/30/72/183183072.db2.gz CCBXRVZEUYAMPO-AWEZNQCLSA-N 0 0 232.710 3.616 10 0 BHAERN CC(C)C[C@H](O)c1cccc(Br)c1 ZINC000037465021 348616579 /nfs/dbraw/zinc/61/65/79/348616579.db2.gz VOEBNEKIOYKBDL-NSHDSACASA-N 0 0 243.144 3.529 10 0 BHAERN CC(C)C[C@@H](O)c1cccc(Br)c1 ZINC000037465023 348616652 /nfs/dbraw/zinc/61/66/52/348616652.db2.gz VOEBNEKIOYKBDL-LLVKDONJSA-N 0 0 243.144 3.529 10 0 BHAERN O[C@H](Cc1ccccc1Cl)c1ccccc1 ZINC000037465351 183227431 /nfs/dbraw/zinc/22/74/31/183227431.db2.gz LGZOFYJNUULTMS-CQSZACIVSA-N 0 0 232.710 3.616 10 0 BHAERN O[C@@H](Cc1ccccc1Cl)c1ccccc1 ZINC000037465353 183183351 /nfs/dbraw/zinc/18/33/51/183183351.db2.gz LGZOFYJNUULTMS-AWEZNQCLSA-N 0 0 232.710 3.616 10 0 BHAERN COc1ccc(C)cc1NC(C1CC1)C1CC1 ZINC000037466571 175077339 /nfs/dbraw/zinc/07/73/39/175077339.db2.gz FEUCUHKYUFSUGL-UHFFFAOYSA-N 0 0 231.339 3.604 10 0 BHAERN Clc1ccccc1NC(C1CC1)C1CC1 ZINC000037466605 343346314 /nfs/dbraw/zinc/34/63/14/343346314.db2.gz NKJDWOFDULOZEK-UHFFFAOYSA-N 0 0 221.731 3.941 10 0 BHAERN c1cc2cc(NC(C3CC3)C3CC3)ccc2[nH]1 ZINC000037466728 183374691 /nfs/dbraw/zinc/37/46/91/183374691.db2.gz XLZQHOKYEKXXMX-UHFFFAOYSA-N 0 0 226.323 3.768 10 0 BHAERN C[C@H](Nc1ccccc1Cl)C1(C)CC1 ZINC000037467895 348610508 /nfs/dbraw/zinc/61/05/08/348610508.db2.gz JQUUYVRACHJLJO-VIFPVBQESA-N 0 0 209.720 3.941 10 0 BHAERN C[C@@H](Nc1ccccc1Cl)C1(C)CC1 ZINC000037467897 348610595 /nfs/dbraw/zinc/61/05/95/348610595.db2.gz JQUUYVRACHJLJO-SECBINFHSA-N 0 0 209.720 3.941 10 0 BHAERN CCC(=O)Nc1cccc(N[C@@H](C)C2(C)CC2)c1 ZINC000037468254 168246025 /nfs/dbraw/zinc/24/60/25/168246025.db2.gz YIWKALCWCVGEHL-NSHDSACASA-N 0 0 246.354 3.636 10 0 BHAERN CCC(=O)Nc1cccc(N[C@H](C)C2(C)CC2)c1 ZINC000037468256 168245156 /nfs/dbraw/zinc/24/51/56/168245156.db2.gz YIWKALCWCVGEHL-LLVKDONJSA-N 0 0 246.354 3.636 10 0 BHAERN CC(=O)CCc1c(Cl)cccc1Cl ZINC000037479132 348617697 /nfs/dbraw/zinc/61/76/97/348617697.db2.gz ILVJZDPRCQXNCD-UHFFFAOYSA-N 0 0 217.095 3.515 10 0 BHAERN Cc1ccc(SC[C@H](O)c2ccccc2)cc1 ZINC000037487816 178828334 /nfs/dbraw/zinc/82/83/34/178828334.db2.gz KJXOXYNZCMTHSY-HNNXBMFYSA-N 0 0 244.359 3.821 10 0 BHAERN Cc1ccc(SC[C@@H](O)c2ccccc2)cc1 ZINC000037487817 383981275 /nfs/dbraw/zinc/98/12/75/383981275.db2.gz KJXOXYNZCMTHSY-OAHLLOKOSA-N 0 0 244.359 3.821 10 0 BHAERN COc1ccc(C)cc1NCCC(C)(C)C ZINC000037488497 175078380 /nfs/dbraw/zinc/07/83/80/175078380.db2.gz KLTGKBVAYMTDOH-UHFFFAOYSA-N 0 0 221.344 3.852 10 0 BHAERN CC(C)(C)CCNc1ccc(F)cc1F ZINC000037488502 166573001 /nfs/dbraw/zinc/57/30/01/166573001.db2.gz ARSPYFQAHFYFTA-UHFFFAOYSA-N 0 0 213.271 3.813 10 0 BHAERN CC(C)(C)CCNc1ccc(F)c(F)c1 ZINC000037488513 166571675 /nfs/dbraw/zinc/57/16/75/166571675.db2.gz OTEXFDGOGCPHKO-UHFFFAOYSA-N 0 0 213.271 3.813 10 0 BHAERN Cc1cc(F)ccc1NCCC(C)(C)C ZINC000037488574 178089989 /nfs/dbraw/zinc/08/99/89/178089989.db2.gz XYYCUISBVUSBDY-UHFFFAOYSA-N 0 0 209.308 3.982 10 0 BHAERN O[C@@H]1CCC[C@H]1Sc1ccc2ccccc2c1 ZINC000037490256 364077793 /nfs/dbraw/zinc/07/77/93/364077793.db2.gz SPKOHORQZRQEHK-HUUCEWRRSA-N 0 0 244.359 3.845 10 0 BHAERN CC(C)c1ccc(S[C@@H]2CCC[C@H]2O)cc1 ZINC000037492173 364079632 /nfs/dbraw/zinc/07/96/32/364079632.db2.gz YHLOEYQWPBRVAV-ZIAGYGMSSA-N 0 0 236.380 3.816 10 0 BHAERN O[C@H](CSC1CCCCC1)c1ccccc1 ZINC000037492229 712651468 /nfs/dbraw/zinc/65/14/68/712651468.db2.gz VHWFHBMPNDHBPV-CQSZACIVSA-N 0 0 236.380 3.786 10 0 BHAERN O[C@@H](CSC1CCCCC1)c1ccccc1 ZINC000037492230 712651708 /nfs/dbraw/zinc/65/17/08/712651708.db2.gz VHWFHBMPNDHBPV-AWEZNQCLSA-N 0 0 236.380 3.786 10 0 BHAERN CC(C)Nc1ccc(-c2nccs2)cc1 ZINC000037495471 167143616 /nfs/dbraw/zinc/14/36/16/167143616.db2.gz GOCOFUDAWQZXIY-UHFFFAOYSA-N 0 0 218.325 3.630 10 0 BHAERN CCCOc1cccc2c(Cl)cc(C)nc12 ZINC000037507589 343144498 /nfs/dbraw/zinc/14/44/98/343144498.db2.gz JAPTVKHGKNSBKF-UHFFFAOYSA-N 0 0 235.714 3.985 10 0 BHAERN Cc1cc(Cl)c2c(C)ccc(F)c2n1 ZINC000037507592 178062270 /nfs/dbraw/zinc/06/22/70/178062270.db2.gz PUSWQAKZRFQDBV-UHFFFAOYSA-N 0 0 209.651 3.644 10 0 BHAERN Cc1cc(F)c2nc(C)cc(Cl)c2c1 ZINC000037507601 178075686 /nfs/dbraw/zinc/07/56/86/178075686.db2.gz NOFNTGVWILSOHG-UHFFFAOYSA-N 0 0 209.651 3.644 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1cc(C(=O)OC)ccc1C ZINC000037507915 171367385 /nfs/dbraw/zinc/36/73/85/171367385.db2.gz HIRYBZSVWBUTDN-CMPLNLGQSA-N 0 0 249.354 3.628 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1cc(C(=O)OC)ccc1C ZINC000037507917 171391408 /nfs/dbraw/zinc/39/14/08/171391408.db2.gz HIRYBZSVWBUTDN-JQWIXIFHSA-N 0 0 249.354 3.628 10 0 BHAERN C[C@H]1CCC[C@H](C)C1Nc1ccccc1N(C)C ZINC000037509178 177130027 /nfs/dbraw/zinc/13/00/27/177130027.db2.gz BHFHXIDRXNGWOL-STQMWFEESA-N 0 0 246.398 3.989 10 0 BHAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccccc1N(C)C ZINC000037509179 176114372 /nfs/dbraw/zinc/11/43/72/176114372.db2.gz BHFHXIDRXNGWOL-CHWSQXEVSA-N 0 0 246.398 3.989 10 0 BHAERN CO[C@H]1CCCC[C@H]1Nc1ccc(C)cc1C ZINC000037509801 174876785 /nfs/dbraw/zinc/87/67/85/174876785.db2.gz OXXTYWHEMJHNJV-CABCVRRESA-N 0 0 233.355 3.673 10 0 BHAERN CC[C@H](Nc1cc(C(=O)OC)ccc1C)C(C)C ZINC000037510608 171550556 /nfs/dbraw/zinc/55/05/56/171550556.db2.gz HJQGZUOSFYUDJA-ZDUSSCGKSA-N 0 0 249.354 3.628 10 0 BHAERN CC[C@](O)(Cc1ccccc1)c1ccccc1 ZINC000037528874 343348143 /nfs/dbraw/zinc/34/81/43/343348143.db2.gz BSGJWXMVNRJNIZ-INIZCTEOSA-N 0 0 226.319 3.527 10 0 BHAERN Cc1ccc([C@](C)(O)c2ccccc2Cl)cc1 ZINC000037529243 178926047 /nfs/dbraw/zinc/92/60/47/178926047.db2.gz QLEUOFBUFWLVRP-HNNXBMFYSA-N 0 0 246.737 3.904 10 0 BHAERN Cc1ccccc1[C@](C)(O)c1ccccc1Cl ZINC000037529247 179350684 /nfs/dbraw/zinc/35/06/84/179350684.db2.gz QAIHIDRJWRXSJW-HNNXBMFYSA-N 0 0 246.737 3.904 10 0 BHAERN Cc1ccccc1[C@@](C)(O)c1ccccc1Cl ZINC000037529248 179332535 /nfs/dbraw/zinc/33/25/35/179332535.db2.gz QAIHIDRJWRXSJW-OAHLLOKOSA-N 0 0 246.737 3.904 10 0 BHAERN CCC[C@](O)(c1ccccc1)c1ccc(F)cc1 ZINC000037529341 169554953 /nfs/dbraw/zinc/55/49/53/169554953.db2.gz QKMHLZSSMQORHB-INIZCTEOSA-N 0 0 244.309 3.862 10 0 BHAERN Cc1ccc(C[C@@](C)(O)c2ccc(C)cc2)cc1 ZINC000037530501 178649930 /nfs/dbraw/zinc/64/99/30/178649930.db2.gz FGENXQRPJIBRAI-QGZVFWFLSA-N 0 0 240.346 3.754 10 0 BHAERN Cc1ccccc1C[C@](C)(O)c1ccccc1C ZINC000037530544 179292314 /nfs/dbraw/zinc/29/23/14/179292314.db2.gz SRPUUADTDVHNGJ-KRWDZBQOSA-N 0 0 240.346 3.754 10 0 BHAERN Cc1ccccc1C[C@@](C)(O)c1ccccc1C ZINC000037530545 179289988 /nfs/dbraw/zinc/28/99/88/179289988.db2.gz SRPUUADTDVHNGJ-QGZVFWFLSA-N 0 0 240.346 3.754 10 0 BHAERN Cc1ccccc1[C@](C)(O)Cc1ccc(F)cc1 ZINC000037530547 179351315 /nfs/dbraw/zinc/35/13/15/179351315.db2.gz MSRRQOPFZYCGDY-MRXNPFEDSA-N 0 0 244.309 3.584 10 0 BHAERN Cc1ccccc1[C@@](C)(O)Cc1ccc(F)cc1 ZINC000037530548 179333185 /nfs/dbraw/zinc/33/31/85/179333185.db2.gz MSRRQOPFZYCGDY-INIZCTEOSA-N 0 0 244.309 3.584 10 0 BHAERN Cc1ccc(C[C@](C)(O)c2ccc(F)cc2)cc1 ZINC000037530564 178653467 /nfs/dbraw/zinc/65/34/67/178653467.db2.gz ZFTRVXGWPHIKFQ-INIZCTEOSA-N 0 0 244.309 3.584 10 0 BHAERN Cc1ccc(C[C@@](C)(O)c2ccc(F)cc2)cc1 ZINC000037530565 178649649 /nfs/dbraw/zinc/64/96/49/178649649.db2.gz ZFTRVXGWPHIKFQ-MRXNPFEDSA-N 0 0 244.309 3.584 10 0 BHAERN Cc1cccc(C[C@](C)(O)c2ccc(F)cc2)c1 ZINC000037530576 179106781 /nfs/dbraw/zinc/10/67/81/179106781.db2.gz ZAWNWAHIKTULQC-INIZCTEOSA-N 0 0 244.309 3.584 10 0 BHAERN Cc1cccc(C[C@@](C)(O)c2ccc(F)cc2)c1 ZINC000037530577 179104971 /nfs/dbraw/zinc/10/49/71/179104971.db2.gz ZAWNWAHIKTULQC-MRXNPFEDSA-N 0 0 244.309 3.584 10 0 BHAERN Cc1ccccc1C[C@](C)(O)c1ccc(F)cc1 ZINC000037530579 179292394 /nfs/dbraw/zinc/29/23/94/179292394.db2.gz IZXSEIMEJIYNSJ-INIZCTEOSA-N 0 0 244.309 3.584 10 0 BHAERN Cc1ccccc1C[C@@](C)(O)c1ccc(F)cc1 ZINC000037530580 179289631 /nfs/dbraw/zinc/28/96/31/179289631.db2.gz IZXSEIMEJIYNSJ-MRXNPFEDSA-N 0 0 244.309 3.584 10 0 BHAERN Cc1cccc(C[C@](C)(O)c2cccc(F)c2)c1 ZINC000037530680 179106804 /nfs/dbraw/zinc/10/68/04/179106804.db2.gz SRGVFAUTFAJPPN-INIZCTEOSA-N 0 0 244.309 3.584 10 0 BHAERN Cc1cccc(C[C@@](C)(O)c2cccc(F)c2)c1 ZINC000037530681 179104675 /nfs/dbraw/zinc/10/46/75/179104675.db2.gz SRGVFAUTFAJPPN-MRXNPFEDSA-N 0 0 244.309 3.584 10 0 BHAERN CC[C@@](O)(Cc1ccc(C)cc1)c1ccccc1 ZINC000037531364 171194814 /nfs/dbraw/zinc/19/48/14/171194814.db2.gz NJAGZTJTEXDAER-QGZVFWFLSA-N 0 0 240.346 3.835 10 0 BHAERN CC[C@@](O)(Cc1ccc(F)cc1)c1ccccc1 ZINC000037531382 171194716 /nfs/dbraw/zinc/19/47/16/171194716.db2.gz IRLZXHWEEZMIIU-MRXNPFEDSA-N 0 0 244.309 3.666 10 0 BHAERN CC[C@](O)(Cc1ccc(F)cc1)c1ccccc1 ZINC000037531383 171710458 /nfs/dbraw/zinc/71/04/58/171710458.db2.gz IRLZXHWEEZMIIU-INIZCTEOSA-N 0 0 244.309 3.666 10 0 BHAERN Cc1ccccc1C(=O)CCOc1ccccc1 ZINC000037531814 179245666 /nfs/dbraw/zinc/24/56/66/179245666.db2.gz LDAMGLMASSXMFU-UHFFFAOYSA-N 0 0 240.302 3.647 10 0 BHAERN CCOc1cccc(C(=O)C2CCCCC2)c1 ZINC000037531823 348635386 /nfs/dbraw/zinc/63/53/86/348635386.db2.gz GBNWQLFXAONRGD-UHFFFAOYSA-N 0 0 232.323 3.848 10 0 BHAERN CCOc1cccc(C(=O)Cc2ccccc2)c1 ZINC000037531824 348635173 /nfs/dbraw/zinc/63/51/73/348635173.db2.gz TZFSLMRWMZVCTL-UHFFFAOYSA-N 0 0 240.302 3.511 10 0 BHAERN Cc1cccc(CC(=O)c2cccc(F)c2)c1 ZINC000037531861 179052308 /nfs/dbraw/zinc/05/23/08/179052308.db2.gz RGMRYEGEOFJXSL-UHFFFAOYSA-N 0 0 228.266 3.560 10 0 BHAERN Cc1cccc(CC(=O)c2cccc(C)c2)c1 ZINC000037531992 179052716 /nfs/dbraw/zinc/05/27/16/179052716.db2.gz RKAQGCQFDYHANF-UHFFFAOYSA-N 0 0 224.303 3.729 10 0 BHAERN Cc1cccc(C(=O)c2ccc(C)c(F)c2)c1 ZINC000037532002 348635165 /nfs/dbraw/zinc/63/51/65/348635165.db2.gz WQCNQRIKAQXYIY-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1ccc(C(=O)Cc2ccccc2C)cc1F ZINC000037532004 178374709 /nfs/dbraw/zinc/37/47/09/178374709.db2.gz NWVVIUDQJPXAMT-UHFFFAOYSA-N 0 0 242.293 3.868 10 0 BHAERN Cc1ccc(C(=O)c2cccc(F)c2)cc1F ZINC000037532005 348635190 /nfs/dbraw/zinc/63/51/90/348635190.db2.gz KHXUYDSCOUXIEF-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN Cc1ccc(C(=O)CCc2ccccc2)cc1F ZINC000037532007 348635170 /nfs/dbraw/zinc/63/51/70/348635170.db2.gz YVRLFPHCAKPKNV-UHFFFAOYSA-N 0 0 242.293 3.950 10 0 BHAERN Cc1ccc(C(=O)c2ccccc2C)cc1F ZINC000037532008 348635376 /nfs/dbraw/zinc/63/53/76/348635376.db2.gz UNUGQCZKWNGFQG-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN CCOc1cccc([C@H](O)C2CCCCC2)c1 ZINC000037532156 170585592 /nfs/dbraw/zinc/58/55/92/170585592.db2.gz MWUFCDJDBTYYEY-OAHLLOKOSA-N 0 0 234.339 3.699 10 0 BHAERN Cc1ccc(C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000037532323 178648551 /nfs/dbraw/zinc/64/85/51/178648551.db2.gz VERGKYUOFWHAQO-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1cccc(C[C@H](O)c2ccc(Cl)cc2)c1 ZINC000037532330 179106131 /nfs/dbraw/zinc/10/61/31/179106131.db2.gz AXTIHCPMNAYWBH-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1cccc(C[C@@H](O)c2ccc(Cl)cc2)c1 ZINC000037532331 179104143 /nfs/dbraw/zinc/10/41/43/179104143.db2.gz AXTIHCPMNAYWBH-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccccc1C[C@H](O)c1ccc(Cl)cc1 ZINC000037532332 179291757 /nfs/dbraw/zinc/29/17/57/179291757.db2.gz LQXFVMZHRBKSQM-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccccc1C[C@@H](O)c1ccc(Cl)cc1 ZINC000037532333 179289529 /nfs/dbraw/zinc/28/95/29/179289529.db2.gz LQXFVMZHRBKSQM-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN CC(C)c1ccc([C@H](O)c2ccccc2)cc1 ZINC000037532388 344549822 /nfs/dbraw/zinc/54/98/22/344549822.db2.gz CTWXUEKUQXNHKY-MRXNPFEDSA-N 0 0 226.319 3.892 10 0 BHAERN CC(C)c1ccc([C@@H](O)c2ccccc2)cc1 ZINC000037532389 344549829 /nfs/dbraw/zinc/54/98/29/344549829.db2.gz CTWXUEKUQXNHKY-INIZCTEOSA-N 0 0 226.319 3.892 10 0 BHAERN Cc1ccc([C@@H](O)Cc2cccc(C)c2)cc1 ZINC000037532451 178867681 /nfs/dbraw/zinc/86/76/81/178867681.db2.gz FBQDGCJEBVYWLU-INIZCTEOSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1ccc([C@@H](O)CCc2ccccc2)cc1 ZINC000037532455 178864191 /nfs/dbraw/zinc/86/41/91/178864191.db2.gz SJRXWCIQLKCVBX-INIZCTEOSA-N 0 0 226.319 3.661 10 0 BHAERN Cc1ccc([C@@H](O)Cc2ccccc2Cl)cc1 ZINC000037532459 178868119 /nfs/dbraw/zinc/86/81/19/178868119.db2.gz NIFMFCREFFZUDJ-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccc(C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000037532468 178652196 /nfs/dbraw/zinc/65/21/96/178652196.db2.gz KKIHISBPRURFDW-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccc(C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000037532469 178648911 /nfs/dbraw/zinc/64/89/11/178648911.db2.gz KKIHISBPRURFDW-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1cccc(C[C@H](O)c2cccc(Cl)c2)c1 ZINC000037532476 179105537 /nfs/dbraw/zinc/10/55/37/179105537.db2.gz OPZUVNCFOHQXJZ-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1cccc(C[C@@H](O)c2cccc(Cl)c2)c1 ZINC000037532477 179103978 /nfs/dbraw/zinc/10/39/78/179103978.db2.gz OPZUVNCFOHQXJZ-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccccc1C[C@H](O)c1cccc(Cl)c1 ZINC000037532478 179292349 /nfs/dbraw/zinc/29/23/49/179292349.db2.gz SCDHLTSHNJXTNN-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccccc1C[C@@H](O)c1cccc(Cl)c1 ZINC000037532479 179289398 /nfs/dbraw/zinc/28/93/98/179289398.db2.gz SCDHLTSHNJXTNN-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1cccc([C@H](O)Cc2cccc(Cl)c2)c1 ZINC000037532505 179202764 /nfs/dbraw/zinc/20/27/64/179202764.db2.gz SZDZZTWQWYWJBY-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1cccc([C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000037532506 179188879 /nfs/dbraw/zinc/18/88/79/179188879.db2.gz SZDZZTWQWYWJBY-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccccc1[C@H](O)Cc1cccc(Cl)c1 ZINC000037532513 179345879 /nfs/dbraw/zinc/34/58/79/179345879.db2.gz AGCGTKSAJOTMTJ-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccccc1[C@@H](O)Cc1cccc(Cl)c1 ZINC000037532514 179326088 /nfs/dbraw/zinc/32/60/88/179326088.db2.gz AGCGTKSAJOTMTJ-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN CCc1ccc([C@H](O)Cc2ccccc2)cc1 ZINC000037532606 171844264 /nfs/dbraw/zinc/84/42/64/171844264.db2.gz MDFNITNWUAGAAR-MRXNPFEDSA-N 0 0 226.319 3.525 10 0 BHAERN CCc1ccc([C@@H](O)Cc2ccccc2)cc1 ZINC000037532607 188114110 /nfs/dbraw/zinc/11/41/10/188114110.db2.gz MDFNITNWUAGAAR-INIZCTEOSA-N 0 0 226.319 3.525 10 0 BHAERN CCc1ccc([C@H](O)Cc2ccc(F)cc2)cc1 ZINC000037532614 171844329 /nfs/dbraw/zinc/84/43/29/171844329.db2.gz MZUVUAHPEVOAHE-MRXNPFEDSA-N 0 0 244.309 3.664 10 0 BHAERN CCc1ccc([C@@H](O)Cc2ccc(F)cc2)cc1 ZINC000037532615 187768621 /nfs/dbraw/zinc/76/86/21/187768621.db2.gz MZUVUAHPEVOAHE-INIZCTEOSA-N 0 0 244.309 3.664 10 0 BHAERN CCc1ccc([C@@H](O)Cc2cccc(C)c2)cc1 ZINC000037532627 188287156 /nfs/dbraw/zinc/28/71/56/188287156.db2.gz NHYXRRPYFIACJS-KRWDZBQOSA-N 0 0 240.346 3.834 10 0 BHAERN CCc1ccc([C@H](O)c2ccccc2C)cc1 ZINC000037532634 171844773 /nfs/dbraw/zinc/84/47/73/171844773.db2.gz XNJQNQOBJJXWAN-INIZCTEOSA-N 0 0 226.319 3.639 10 0 BHAERN CCc1ccc([C@@H](O)c2ccccc2C)cc1 ZINC000037532635 385229040 /nfs/dbraw/zinc/22/90/40/385229040.db2.gz XNJQNQOBJJXWAN-MRXNPFEDSA-N 0 0 226.319 3.639 10 0 BHAERN Cc1cccc([C@H](O)Cc2ccc(Cl)cc2)c1 ZINC000037532653 179201675 /nfs/dbraw/zinc/20/16/75/179201675.db2.gz HMQCCPCQNHSBFT-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1cccc([C@@H](O)Cc2ccc(Cl)cc2)c1 ZINC000037532654 179189074 /nfs/dbraw/zinc/18/90/74/179189074.db2.gz HMQCCPCQNHSBFT-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccccc1[C@H](O)Cc1ccc(Cl)cc1 ZINC000037532661 179344803 /nfs/dbraw/zinc/34/48/03/179344803.db2.gz VGOJXGTZFMJZGG-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccccc1[C@@H](O)Cc1ccc(Cl)cc1 ZINC000037532662 179326271 /nfs/dbraw/zinc/32/62/71/179326271.db2.gz VGOJXGTZFMJZGG-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccc(C[C@@H](O)c2ccccc2C)cc1 ZINC000037532826 178648794 /nfs/dbraw/zinc/64/87/94/178648794.db2.gz LGWHANFWQHXJBR-MRXNPFEDSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1cccc(C[C@H](O)c2ccccc2C)c1 ZINC000037532831 179106261 /nfs/dbraw/zinc/10/62/61/179106261.db2.gz VVGZGQHLNPAGTC-INIZCTEOSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1cccc(C[C@@H](O)c2ccccc2C)c1 ZINC000037532832 179104055 /nfs/dbraw/zinc/10/40/55/179104055.db2.gz VVGZGQHLNPAGTC-MRXNPFEDSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1ccccc1C[C@H](O)c1ccccc1C ZINC000037532833 179292267 /nfs/dbraw/zinc/29/22/67/179292267.db2.gz XASMZEAMWBNCLN-INIZCTEOSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1ccccc1C[C@@H](O)c1ccccc1C ZINC000037532834 179290021 /nfs/dbraw/zinc/29/00/21/179290021.db2.gz XASMZEAMWBNCLN-MRXNPFEDSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1ccccc1[C@H](O)Cc1ccccc1Cl ZINC000037532839 179345563 /nfs/dbraw/zinc/34/55/63/179345563.db2.gz YMSWMWNUFPGZPQ-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccccc1[C@@H](O)Cc1ccccc1Cl ZINC000037532840 179326251 /nfs/dbraw/zinc/32/62/51/179326251.db2.gz YMSWMWNUFPGZPQ-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1cccc(C[C@H](O)c2cccc(C)c2)c1 ZINC000037532849 179106281 /nfs/dbraw/zinc/10/62/81/179106281.db2.gz VBOLUMATPRUASX-INIZCTEOSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1cccc(C[C@@H](O)c2cccc(C)c2)c1 ZINC000037532850 179104341 /nfs/dbraw/zinc/10/43/41/179104341.db2.gz VBOLUMATPRUASX-MRXNPFEDSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1cccc([C@H](O)Cc2ccccc2C)c1 ZINC000037532851 179202272 /nfs/dbraw/zinc/20/22/72/179202272.db2.gz MSZDVCPQPBVBLY-MRXNPFEDSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1cccc([C@@H](O)Cc2ccccc2C)c1 ZINC000037532852 179189133 /nfs/dbraw/zinc/18/91/33/179189133.db2.gz MSZDVCPQPBVBLY-INIZCTEOSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1cccc([C@H](O)Cc2ccccc2Cl)c1 ZINC000037532857 179202634 /nfs/dbraw/zinc/20/26/34/179202634.db2.gz OZPMNDADABRXFQ-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1cccc([C@@H](O)Cc2ccccc2Cl)c1 ZINC000037532858 179187695 /nfs/dbraw/zinc/18/76/95/179187695.db2.gz OZPMNDADABRXFQ-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccc(C[C@H](O)c2ccc(C)c(F)c2)cc1 ZINC000037532873 178652498 /nfs/dbraw/zinc/65/24/98/178652498.db2.gz QXHCKPCGXWTXBA-INIZCTEOSA-N 0 0 244.309 3.719 10 0 BHAERN Cc1ccc([C@H](O)Cc2ccccc2C)cc1F ZINC000037532886 178915393 /nfs/dbraw/zinc/91/53/93/178915393.db2.gz JFCYRPQWUQAIIB-MRXNPFEDSA-N 0 0 244.309 3.719 10 0 BHAERN Cc1ccccc1[C@@H]1CCCCCC1=O ZINC000037624993 364343493 /nfs/dbraw/zinc/34/34/93/364343493.db2.gz NNUZNTLLQWHQTL-ZDUSSCGKSA-N 0 0 202.297 3.612 10 0 BHAERN Cc1ccccc1[C@H]1CCCCCC1=O ZINC000037624994 364343920 /nfs/dbraw/zinc/34/39/20/364343920.db2.gz NNUZNTLLQWHQTL-CYBMUJFWSA-N 0 0 202.297 3.612 10 0 BHAERN Cc1ccc([C@@H]2CCCCCC2=O)cc1 ZINC000037624995 364343700 /nfs/dbraw/zinc/34/37/00/364343700.db2.gz OCNLDCDCHHUFKL-ZDUSSCGKSA-N 0 0 202.297 3.612 10 0 BHAERN Cc1ccc([C@H]2CCCCCC2=O)cc1 ZINC000037624996 364343830 /nfs/dbraw/zinc/34/38/30/364343830.db2.gz OCNLDCDCHHUFKL-CYBMUJFWSA-N 0 0 202.297 3.612 10 0 BHAERN c1c2ccccc2[nH]c1Cc1ccccc1 ZINC000037625176 183411199 /nfs/dbraw/zinc/41/11/99/183411199.db2.gz UZOBCRQUEAWJQH-UHFFFAOYSA-N 0 0 207.276 3.759 10 0 BHAERN C=Cc1cc(OCC)c(OCC)c(SC)c1 ZINC000037628201 344405644 /nfs/dbraw/zinc/40/56/44/344405644.db2.gz OTCDYZVFQNHQEU-UHFFFAOYSA-N 0 0 238.352 3.849 10 0 BHAERN COc1ccc(-c2c[nH]c3ccccc32)cc1 ZINC000037632517 175030336 /nfs/dbraw/zinc/03/03/36/175030336.db2.gz OUMZDWFYQVDLAY-UHFFFAOYSA-N 0 0 223.275 3.844 10 0 BHAERN Cc1c(C)n(C)c2ccc(Br)cc12 ZINC000037632647 177577128 /nfs/dbraw/zinc/57/71/28/177577128.db2.gz QOCWONKFHARGOT-UHFFFAOYSA-N 0 0 238.128 3.558 10 0 BHAERN CC1(C(=O)c2ccccc2)CCCCC1 ZINC000037634152 188114239 /nfs/dbraw/zinc/11/42/39/188114239.db2.gz XMCYCMCBVWLZCY-UHFFFAOYSA-N 0 0 202.297 3.840 10 0 BHAERN FC(F)=C(F)c1nc2ccccc2s1 ZINC000037637100 190988637 /nfs/dbraw/zinc/98/86/37/190988637.db2.gz GWHRHXMUJPVWNQ-UHFFFAOYSA-N 0 0 215.199 3.831 10 0 BHAERN COc1ccc2nc3c(c(Cl)c2c1)CCCC3 ZINC000037637136 175230105 /nfs/dbraw/zinc/23/01/05/175230105.db2.gz WVWZZVYSFUSLRK-UHFFFAOYSA-N 0 0 247.725 3.776 10 0 BHAERN Cc1ccccc1[C@H](O)c1ccc(Cl)cc1 ZINC000037653791 179344983 /nfs/dbraw/zinc/34/49/83/179344983.db2.gz QWNMGIKDLZTPOI-CQSZACIVSA-N 0 0 232.710 3.730 10 0 BHAERN Cc1ccccc1[C@@H](O)c1ccc(Cl)cc1 ZINC000037653792 179326245 /nfs/dbraw/zinc/32/62/45/179326245.db2.gz QWNMGIKDLZTPOI-AWEZNQCLSA-N 0 0 232.710 3.730 10 0 BHAERN O[C@]1(c2ccc(Cl)cc2)CCc2ccccc21 ZINC000037658034 343144480 /nfs/dbraw/zinc/14/44/80/343144480.db2.gz MAXLLDUJNAVNAO-HNNXBMFYSA-N 0 0 244.721 3.522 10 0 BHAERN O[C@@]1(c2ccc(Cl)cc2)CCc2ccccc21 ZINC000037658035 343144378 /nfs/dbraw/zinc/14/43/78/343144378.db2.gz MAXLLDUJNAVNAO-OAHLLOKOSA-N 0 0 244.721 3.522 10 0 BHAERN Cc1ccccc1Sc1ccc(N)cc1 ZINC000037665600 343144495 /nfs/dbraw/zinc/14/44/95/343144495.db2.gz UDTVRBMLMJXKMI-UHFFFAOYSA-N 0 0 215.321 3.728 10 0 BHAERN Nc1cc(F)cc(Sc2cccs2)c1 ZINC000037668177 350286380 /nfs/dbraw/zinc/28/63/80/350286380.db2.gz QQHIGGCMUDZDLP-UHFFFAOYSA-N 0 0 225.313 3.621 10 0 BHAERN Cc1cccc(N[C@@H](C)c2cccs2)n1 ZINC000037670706 179153889 /nfs/dbraw/zinc/15/38/89/179153889.db2.gz CUULGKDMCURRDX-JTQLQIEISA-N 0 0 218.325 3.625 10 0 BHAERN Cc1cccc(N[C@H](C)c2cccs2)n1 ZINC000037670708 179156655 /nfs/dbraw/zinc/15/66/55/179156655.db2.gz CUULGKDMCURRDX-SNVBAGLBSA-N 0 0 218.325 3.625 10 0 BHAERN Cc1nc2cc(SC(C)C)c(N)cc2s1 ZINC000037685003 180083290 /nfs/dbraw/zinc/08/32/90/180083290.db2.gz QUYFSQISWGHUNO-UHFFFAOYSA-N 0 0 238.381 3.687 10 0 BHAERN CC(=O)c1ccc(SC(C)C)c(F)c1 ZINC000037685891 364517101 /nfs/dbraw/zinc/51/71/01/364517101.db2.gz DUFWXRFWOLWKBX-UHFFFAOYSA-N 0 0 212.289 3.529 10 0 BHAERN CC(=O)c1cc(F)ccc1SC(C)C ZINC000037685892 364517099 /nfs/dbraw/zinc/51/70/99/364517099.db2.gz QNIIEWRDOBDLRU-UHFFFAOYSA-N 0 0 212.289 3.529 10 0 BHAERN CC(=O)c1c(F)cccc1SC(C)C ZINC000037685893 364517064 /nfs/dbraw/zinc/51/70/64/364517064.db2.gz BDONYGXLTJGUFR-UHFFFAOYSA-N 0 0 212.289 3.529 10 0 BHAERN Clc1nsnc1SC1CCCCC1 ZINC000037685969 364517039 /nfs/dbraw/zinc/51/70/39/364517039.db2.gz BXIKIEBQKCPSDL-UHFFFAOYSA-N 0 0 234.777 3.616 10 0 BHAERN CC[C@H](SC(C)C)C(=O)c1ccccc1 ZINC000037687547 342940294 /nfs/dbraw/zinc/94/02/94/342940294.db2.gz QGABMSZBQOECOS-LBPRGKRZSA-N 0 0 222.353 3.790 10 0 BHAERN CC[C@@H](SC(C)C)C(=O)c1ccccc1 ZINC000037687549 364517086 /nfs/dbraw/zinc/51/70/86/364517086.db2.gz QGABMSZBQOECOS-GFCCVEGCSA-N 0 0 222.353 3.790 10 0 BHAERN CSc1ccc(C(=O)CSC(C)C)cc1 ZINC000037687634 342940558 /nfs/dbraw/zinc/94/05/58/342940558.db2.gz UIVHCTPBRKWQOU-UHFFFAOYSA-N 0 0 240.393 3.733 10 0 BHAERN CC(C)c1ccc(N[C@@H]2CCCC[C@H]2O)cc1 ZINC000037691147 358091938 /nfs/dbraw/zinc/09/19/38/358091938.db2.gz YYMFSXVEJZUWEC-HUUCEWRRSA-N 0 0 233.355 3.525 10 0 BHAERN CC(C)c1cccc(N[C@@H]2CCCC[C@H]2O)c1 ZINC000037691368 358091626 /nfs/dbraw/zinc/09/16/26/358091626.db2.gz PUQLTHCQHQCVEA-HUUCEWRRSA-N 0 0 233.355 3.525 10 0 BHAERN O[C@@H]1CCCC[C@H]1Nc1ccc2ccccc2c1 ZINC000037691484 712740199 /nfs/dbraw/zinc/74/01/99/712740199.db2.gz HEQQSRPYRZDBKX-HZPDHXFCSA-N 0 0 241.334 3.555 10 0 BHAERN Cc1cc(C(C)(C)C)ccc1O[C@@H]1CCC[C@H]1O ZINC000037694891 177829432 /nfs/dbraw/zinc/82/94/32/177829432.db2.gz LAEXEDHPVILULQ-UKRRQHHQSA-N 0 0 248.366 3.585 10 0 BHAERN CC(C)(C)c1cccc(O[C@@H]2CCCC[C@@H]2O)c1 ZINC000037694938 187260272 /nfs/dbraw/zinc/26/02/72/187260272.db2.gz KDMKIDJXLQXIPZ-LSDHHAIUSA-N 0 0 248.366 3.666 10 0 BHAERN CC(C)(O)COc1ccc(-c2ccccc2)cc1 ZINC000037696748 364531047 /nfs/dbraw/zinc/53/10/47/364531047.db2.gz PYXJQHYKROGUSP-UHFFFAOYSA-N 0 0 242.318 3.503 10 0 BHAERN Cc1cc(N)ccc1NCCCc1ccccc1 ZINC000037719500 178105255 /nfs/dbraw/zinc/10/52/55/178105255.db2.gz HCDQJIJUCCUPCU-UHFFFAOYSA-N 0 0 240.350 3.622 10 0 BHAERN Cc1cc(NCCCc2ccccc2)ccc1N ZINC000037719504 178160383 /nfs/dbraw/zinc/16/03/83/178160383.db2.gz PHZUYGQXCYYACF-UHFFFAOYSA-N 0 0 240.350 3.622 10 0 BHAERN Cc1cc(C(=O)CCc2ccccc2)ccc1F ZINC000037734618 364563909 /nfs/dbraw/zinc/56/39/09/364563909.db2.gz MQJHJNGKDQFONE-UHFFFAOYSA-N 0 0 242.293 3.950 10 0 BHAERN Cc1cc(C(=O)c2ccccc2C)ccc1F ZINC000037734619 364563568 /nfs/dbraw/zinc/56/35/68/364563568.db2.gz SNRIRJKSVJJXLB-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1ccc(CC(=O)c2ccc(F)c(C)c2)cc1 ZINC000037734626 178524445 /nfs/dbraw/zinc/52/44/45/178524445.db2.gz SDGHJFVOSNVFHZ-UHFFFAOYSA-N 0 0 242.293 3.868 10 0 BHAERN Cc1cc([C@H](O)Cc2ccc(F)cc2)ccc1F ZINC000037734639 178264701 /nfs/dbraw/zinc/26/47/01/178264701.db2.gz QIALWCPSWMMIGE-OAHLLOKOSA-N 0 0 248.272 3.549 10 0 BHAERN Cc1cc([C@@H](O)Cc2ccc(F)cc2)ccc1F ZINC000037734640 178239757 /nfs/dbraw/zinc/23/97/57/178239757.db2.gz QIALWCPSWMMIGE-HNNXBMFYSA-N 0 0 248.272 3.549 10 0 BHAERN Cc1cc([C@H](O)Cc2ccccc2F)ccc1F ZINC000037734651 178263723 /nfs/dbraw/zinc/26/37/23/178263723.db2.gz NCKWQDLBXQGUJR-OAHLLOKOSA-N 0 0 248.272 3.549 10 0 BHAERN Cc1cc([C@@H](O)Cc2ccccc2F)ccc1F ZINC000037734652 178238988 /nfs/dbraw/zinc/23/89/88/178238988.db2.gz NCKWQDLBXQGUJR-HNNXBMFYSA-N 0 0 248.272 3.549 10 0 BHAERN Cc1cccc([C@H](O)c2ccc(F)c(C)c2)c1 ZINC000037734653 179201774 /nfs/dbraw/zinc/20/17/74/179201774.db2.gz FODOPWGULLJSHD-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1cccc([C@@H](O)c2ccc(F)c(C)c2)c1 ZINC000037734654 179188262 /nfs/dbraw/zinc/18/82/62/179188262.db2.gz FODOPWGULLJSHD-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN CC[C@](C)(O)c1cc(F)c(Cl)cc1Cl ZINC000037735275 364564008 /nfs/dbraw/zinc/56/40/08/364564008.db2.gz PMVWWGJPEYUAGM-JTQLQIEISA-N 0 0 237.101 3.750 10 0 BHAERN CC[C@@](C)(O)c1cc(F)c(Cl)cc1Cl ZINC000037735276 364564020 /nfs/dbraw/zinc/56/40/20/364564020.db2.gz PMVWWGJPEYUAGM-SNVBAGLBSA-N 0 0 237.101 3.750 10 0 BHAERN S=c1[nH]ccn1CCC1CCCCC1 ZINC000037742015 364574111 /nfs/dbraw/zinc/57/41/11/364574111.db2.gz ZKKVIEFWQGXRMQ-UHFFFAOYSA-N 0 0 210.346 3.516 10 0 BHAERN Cc1cc(N)ccc1NCCC1CCCCC1 ZINC000037742095 178105932 /nfs/dbraw/zinc/10/59/32/178105932.db2.gz CZTVXOZURRBYCU-UHFFFAOYSA-N 0 0 232.371 3.960 10 0 BHAERN Cc1ccc(NCCC2CCCCC2)c(N)c1 ZINC000037742096 187941154 /nfs/dbraw/zinc/94/11/54/187941154.db2.gz YRIFOHFSHVGSPJ-UHFFFAOYSA-N 0 0 232.371 3.960 10 0 BHAERN CC(C)Oc1ccc(-c2nccc(Cl)n2)cc1 ZINC000037742928 167288053 /nfs/dbraw/zinc/28/80/53/167288053.db2.gz MNUICYHBYBXYOJ-UHFFFAOYSA-N 0 0 248.713 3.584 10 0 BHAERN CC[C@@H](C)[C@](C)(O)c1ccc(Cl)cc1 ZINC000037745722 364573800 /nfs/dbraw/zinc/57/38/00/364573800.db2.gz NWXBRBXODNCHNJ-SKDRFNHKSA-N 0 0 212.720 3.594 10 0 BHAERN CC[C@H](C)[C@](C)(O)c1ccc(Cl)cc1 ZINC000037745723 364573887 /nfs/dbraw/zinc/57/38/87/364573887.db2.gz NWXBRBXODNCHNJ-CABZTGNLSA-N 0 0 212.720 3.594 10 0 BHAERN CC[C@@H](C)[C@@](C)(O)c1ccc(Cl)cc1 ZINC000037745724 364573937 /nfs/dbraw/zinc/57/39/37/364573937.db2.gz NWXBRBXODNCHNJ-BXKDBHETSA-N 0 0 212.720 3.594 10 0 BHAERN CC[C@H](C)[C@@](C)(O)c1ccc(Cl)cc1 ZINC000037745725 364573745 /nfs/dbraw/zinc/57/37/45/364573745.db2.gz NWXBRBXODNCHNJ-JOYOIKCWSA-N 0 0 212.720 3.594 10 0 BHAERN Cc1cc(C)cc([C@@](C)(O)c2ccccc2)c1 ZINC000037745864 177917176 /nfs/dbraw/zinc/91/71/76/177917176.db2.gz BAGRCJQUWPUYBN-INIZCTEOSA-N 0 0 226.319 3.559 10 0 BHAERN Cc1cc(C)cc([C@@](C)(O)c2ccccc2C)c1 ZINC000037745867 177916960 /nfs/dbraw/zinc/91/69/60/177916960.db2.gz RVPHZACDWDZUJX-QGZVFWFLSA-N 0 0 240.346 3.868 10 0 BHAERN Cc1cc(C)cc([C@](C)(O)c2ccccc2C)c1 ZINC000037745868 177919705 /nfs/dbraw/zinc/91/97/05/177919705.db2.gz RVPHZACDWDZUJX-KRWDZBQOSA-N 0 0 240.346 3.868 10 0 BHAERN Cc1cccc([C@](C)(O)c2cc(C)cc(C)c2)c1 ZINC000037745871 179205070 /nfs/dbraw/zinc/20/50/70/179205070.db2.gz KIUQNSHEVYBIMU-KRWDZBQOSA-N 0 0 240.346 3.868 10 0 BHAERN Cc1cccc([C@@](C)(O)c2cc(C)cc(C)c2)c1 ZINC000037745872 179191675 /nfs/dbraw/zinc/19/16/75/179191675.db2.gz KIUQNSHEVYBIMU-QGZVFWFLSA-N 0 0 240.346 3.868 10 0 BHAERN Cc1cc(C)cc([C@@](C)(O)c2cccc(F)c2)c1 ZINC000037745874 177917756 /nfs/dbraw/zinc/91/77/56/177917756.db2.gz NCUPNZGGDIGAET-INIZCTEOSA-N 0 0 244.309 3.698 10 0 BHAERN CC[C@@](O)(c1ccccc1)c1cc(C)cc(C)c1 ZINC000037745904 171194344 /nfs/dbraw/zinc/19/43/44/171194344.db2.gz YTPGOLNFAHDDTF-QGZVFWFLSA-N 0 0 240.346 3.949 10 0 BHAERN Cc1cc(C)cc(C(=O)c2cccc(F)c2)c1 ZINC000037745988 388620075 /nfs/dbraw/zinc/62/00/75/388620075.db2.gz UUPVTCFWWPPIOL-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1cccc(C(=O)c2cc(C)cc(C)c2)c1 ZINC000037745997 179026855 /nfs/dbraw/zinc/02/68/55/179026855.db2.gz FQTQOMNMPKYCQS-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN Cc1cc(C)cc(C(=O)c2ccc(C)c(F)c2)c1 ZINC000037745999 388620520 /nfs/dbraw/zinc/62/05/20/388620520.db2.gz OCTQSWMPYDFFDW-UHFFFAOYSA-N 0 0 242.293 3.982 10 0 BHAERN Cc1cc(C)cc([C@@H](O)c2ccc(C)c(F)c2)c1 ZINC000037746062 187260284 /nfs/dbraw/zinc/26/02/84/187260284.db2.gz HAHFPWUTBLRVHF-INIZCTEOSA-N 0 0 244.309 3.833 10 0 BHAERN Cc1cc(C)cc([C@H](O)c2ccc(C)c(F)c2)c1 ZINC000037746063 177918646 /nfs/dbraw/zinc/91/86/46/177918646.db2.gz HAHFPWUTBLRVHF-MRXNPFEDSA-N 0 0 244.309 3.833 10 0 BHAERN Cc1cc(C)cc([C@@H](O)C2CCCCC2)c1 ZINC000037746065 177915977 /nfs/dbraw/zinc/91/59/77/177915977.db2.gz LUJLQCGENOTPLT-HNNXBMFYSA-N 0 0 218.340 3.917 10 0 BHAERN Cc1ccc2oc(-c3c(N)cccc3F)nc2c1 ZINC000037746368 178985849 /nfs/dbraw/zinc/98/58/49/178985849.db2.gz OUWGUKPERBLIOQ-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN Cc1ccc2oc(CNc3ccccc3)nc2c1 ZINC000037746392 178987923 /nfs/dbraw/zinc/98/79/23/178987923.db2.gz RGTVBBIEHNDSLK-UHFFFAOYSA-N 0 0 238.290 3.748 10 0 BHAERN Cc1ccc2oc(-c3cc(F)ccc3N)nc2c1 ZINC000037746417 178986501 /nfs/dbraw/zinc/98/65/01/178986501.db2.gz MUOZXXBBWSBUMN-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN COCCCNc1ccccc1-c1ccccc1 ZINC000037753639 174252295 /nfs/dbraw/zinc/25/22/95/174252295.db2.gz OYJUEKUPSSHDDJ-UHFFFAOYSA-N 0 0 241.334 3.802 10 0 BHAERN CCC(CC)Nc1ccc(N)cc1C(F)(F)F ZINC000037754398 168393740 /nfs/dbraw/zinc/39/37/40/168393740.db2.gz ZZISYNHZNMNYGP-UHFFFAOYSA-N 0 0 246.276 3.888 10 0 BHAERN CCC[C@@H](C)Nc1ccc(N)cc1C(F)(F)F ZINC000037754408 169372294 /nfs/dbraw/zinc/37/22/94/169372294.db2.gz HHXOHWIRWZJMHM-MRVPVSSYSA-N 0 0 246.276 3.888 10 0 BHAERN CCC[C@H](C)Nc1ccc(N)cc1C(F)(F)F ZINC000037754409 169494400 /nfs/dbraw/zinc/49/44/00/169494400.db2.gz HHXOHWIRWZJMHM-QMMMGPOBSA-N 0 0 246.276 3.888 10 0 BHAERN CC(C)CCNc1ccc(N)cc1C(F)(F)F ZINC000037754420 166868233 /nfs/dbraw/zinc/86/82/33/166868233.db2.gz HQMPWUXHUIHYCU-UHFFFAOYSA-N 0 0 246.276 3.746 10 0 BHAERN CC(C)[C@@H](C)Nc1ccc(N)cc1C(F)(F)F ZINC000037754454 167385242 /nfs/dbraw/zinc/38/52/42/167385242.db2.gz OCBKPCSHVNWQDX-MRVPVSSYSA-N 0 0 246.276 3.744 10 0 BHAERN CCC(C)(C)Nc1ccc(N)cc1C(F)(F)F ZINC000037754460 168302605 /nfs/dbraw/zinc/30/26/05/168302605.db2.gz MZWWALKMIMNRQG-UHFFFAOYSA-N 0 0 246.276 3.888 10 0 BHAERN CCCN(CC)c1ccc(N)cc1C(F)(F)F ZINC000037754520 169133298 /nfs/dbraw/zinc/13/32/98/169133298.db2.gz OXLUEUJRYRWCCO-UHFFFAOYSA-N 0 0 246.276 3.524 10 0 BHAERN CC[C@H](C)N(C)c1ccc(N)cc1C(F)(F)F ZINC000037754526 171309839 /nfs/dbraw/zinc/30/98/39/171309839.db2.gz OLEYBGOACMQGAO-QMMMGPOBSA-N 0 0 246.276 3.522 10 0 BHAERN CCC(C)(C)Oc1ccc(N)cc1C(F)(F)F ZINC000037754700 168304192 /nfs/dbraw/zinc/30/41/92/168304192.db2.gz GLYDVOHKNRWKAF-UHFFFAOYSA-N 0 0 247.260 3.855 10 0 BHAERN FC(F)CNc1cc(Cl)ccc1Cl ZINC000037755680 343353397 /nfs/dbraw/zinc/35/33/97/343353397.db2.gz OPWDUJGRCSUTKT-UHFFFAOYSA-N 0 0 226.053 3.670 10 0 BHAERN FC(F)CNc1ccc(Cl)cc1Cl ZINC000037755710 364588334 /nfs/dbraw/zinc/58/83/34/364588334.db2.gz UNGXTRXJLVRDRQ-UHFFFAOYSA-N 0 0 226.053 3.670 10 0 BHAERN FC(F)CNc1cc(Cl)cc(Cl)c1 ZINC000037755739 364588551 /nfs/dbraw/zinc/58/85/51/364588551.db2.gz SINAHLQIUOUYNN-UHFFFAOYSA-N 0 0 226.053 3.670 10 0 BHAERN FC(F)CNc1ccc(Cl)c(Cl)c1 ZINC000037755752 364589299 /nfs/dbraw/zinc/58/92/99/364589299.db2.gz LFDJJQYBGUUWKN-UHFFFAOYSA-N 0 0 226.053 3.670 10 0 BHAERN FC(F)CNc1ccccc1Cc1ccccc1 ZINC000037755753 180902265 /nfs/dbraw/zinc/90/22/65/180902265.db2.gz MZOVBHZQINXBLM-UHFFFAOYSA-N 0 0 247.288 3.954 10 0 BHAERN FC(F)CNc1cccc(Cl)c1Cl ZINC000037755830 388630484 /nfs/dbraw/zinc/63/04/84/388630484.db2.gz QLIVUDYGBPRGIO-UHFFFAOYSA-N 0 0 226.053 3.670 10 0 BHAERN CC(C)c1cc(Cl)nc(C2CCCC2)n1 ZINC000037756667 364587400 /nfs/dbraw/zinc/58/74/00/364587400.db2.gz BTULIWQHUDUJSC-UHFFFAOYSA-N 0 0 224.735 3.911 10 0 BHAERN Cc1cc(C)cc([C@H](O)C2CCCC2)c1 ZINC000037756670 177918074 /nfs/dbraw/zinc/91/80/74/177918074.db2.gz LZGZJYLTERVRLG-CQSZACIVSA-N 0 0 204.313 3.527 10 0 BHAERN Cc1cc(C)cc([C@@H](O)C2CCCC2)c1 ZINC000037756671 177916166 /nfs/dbraw/zinc/91/61/66/177916166.db2.gz LZGZJYLTERVRLG-AWEZNQCLSA-N 0 0 204.313 3.527 10 0 BHAERN C[C@H](Nc1nc2ccccc2[nH]1)c1cccs1 ZINC000037756959 344578855 /nfs/dbraw/zinc/57/88/55/344578855.db2.gz RAQNUIXPKYKBQQ-VIFPVBQESA-N 0 0 243.335 3.798 10 0 BHAERN C[C@@H](Nc1nc2ccccc2[nH]1)c1cccs1 ZINC000037756960 344578507 /nfs/dbraw/zinc/57/85/07/344578507.db2.gz RAQNUIXPKYKBQQ-SECBINFHSA-N 0 0 243.335 3.798 10 0 BHAERN C[C@@H]1CCC[C@](O)(c2cnc3ccccc3c2)C1 ZINC000037761178 176151970 /nfs/dbraw/zinc/15/19/70/176151970.db2.gz KBYSGYYZNPBBNQ-MLGOLLRUSA-N 0 0 241.334 3.633 10 0 BHAERN C[C@H]1CCC[C@](O)(c2cnc3ccccc3c2)C1 ZINC000037761179 177143420 /nfs/dbraw/zinc/14/34/20/177143420.db2.gz KBYSGYYZNPBBNQ-BLLLJJGKSA-N 0 0 241.334 3.633 10 0 BHAERN C[C@@H]1CCC[C@@](O)(c2cnc3ccccc3c2)C1 ZINC000037761180 176133441 /nfs/dbraw/zinc/13/34/41/176133441.db2.gz KBYSGYYZNPBBNQ-WBMJQRKESA-N 0 0 241.334 3.633 10 0 BHAERN C[C@H]1CCC[C@@](O)(c2cnc3ccccc3c2)C1 ZINC000037761181 177127804 /nfs/dbraw/zinc/12/78/04/177127804.db2.gz KBYSGYYZNPBBNQ-LRDDRELGSA-N 0 0 241.334 3.633 10 0 BHAERN CC1CCC(O)(c2cnc3ccccc3c2)CC1 ZINC000037761186 168166367 /nfs/dbraw/zinc/16/63/67/168166367.db2.gz PIMWKIVAZRWSEQ-UHFFFAOYSA-N 0 0 241.334 3.633 10 0 BHAERN CCC(C)(C)C1CCC(O)(c2cccnc2)CC1 ZINC000037761195 168270218 /nfs/dbraw/zinc/27/02/18/168270218.db2.gz CXGSUXYHYFPRHT-UHFFFAOYSA-N 0 0 247.382 3.896 10 0 BHAERN C[C@@H]1CCCC[C@]1(O)c1cnc2ccccc2c1 ZINC000037761208 176091451 /nfs/dbraw/zinc/09/14/51/176091451.db2.gz STGCTTXZYOAAKG-MLGOLLRUSA-N 0 0 241.334 3.633 10 0 BHAERN C[C@H]1CCCC[C@]1(O)c1cnc2ccccc2c1 ZINC000037761209 177091113 /nfs/dbraw/zinc/09/11/13/177091113.db2.gz STGCTTXZYOAAKG-BLLLJJGKSA-N 0 0 241.334 3.633 10 0 BHAERN C[C@@H]1CCCC[C@@]1(O)c1cnc2ccccc2c1 ZINC000037761210 176083792 /nfs/dbraw/zinc/08/37/92/176083792.db2.gz STGCTTXZYOAAKG-WBMJQRKESA-N 0 0 241.334 3.633 10 0 BHAERN C[C@H]1CCCC[C@@]1(O)c1cnc2ccccc2c1 ZINC000037761211 177085240 /nfs/dbraw/zinc/08/52/40/177085240.db2.gz STGCTTXZYOAAKG-LRDDRELGSA-N 0 0 241.334 3.633 10 0 BHAERN CC(C)(C)[C@@H]1CCCC[C@@]1(O)c1cccnc1 ZINC000037761214 188114546 /nfs/dbraw/zinc/11/45/46/188114546.db2.gz TWBPTUSTEYPFGF-DZGCQCFKSA-N 0 0 233.355 3.506 10 0 BHAERN CC(C)(C)[C@H]1CCCC[C@@]1(O)c1cccnc1 ZINC000037761215 187940827 /nfs/dbraw/zinc/94/08/27/187940827.db2.gz TWBPTUSTEYPFGF-UKRRQHHQSA-N 0 0 233.355 3.506 10 0 BHAERN OC1(c2cnc3ccccc3c2)CCCCCC1 ZINC000037761231 183022986 /nfs/dbraw/zinc/02/29/86/183022986.db2.gz AHKCZYSQFUWDQA-UHFFFAOYSA-N 0 0 241.334 3.777 10 0 BHAERN O=C(Cc1ccccc1)c1cnc2ccccc2c1 ZINC000037761556 182045499 /nfs/dbraw/zinc/04/54/99/182045499.db2.gz JJTKVBVPZYPULR-UHFFFAOYSA-N 0 0 247.297 3.660 10 0 BHAERN O[C@@H](c1cnc2ccccc2c1)C1CCCCC1 ZINC000037761696 183187013 /nfs/dbraw/zinc/18/70/13/183187013.db2.gz XNKAMZSUXSPZER-MRXNPFEDSA-N 0 0 241.334 3.849 10 0 BHAERN O[C@H](c1cnc2ccccc2c1)C1CCCCC1 ZINC000037761697 183230430 /nfs/dbraw/zinc/23/04/30/183230430.db2.gz XNKAMZSUXSPZER-INIZCTEOSA-N 0 0 241.334 3.849 10 0 BHAERN CO[C@@H]1CCCC[C@@H]1Nc1c(C)cc(C)cc1C ZINC000037763628 174741163 /nfs/dbraw/zinc/74/11/63/174741163.db2.gz QIIYYSKGQBSNIE-LSDHHAIUSA-N 0 0 247.382 3.981 10 0 BHAERN CCc1cccc(C)c1NCc1cccc(O)c1 ZINC000037763746 171854923 /nfs/dbraw/zinc/85/49/23/171854923.db2.gz RHEFTZKXYOQJKZ-UHFFFAOYSA-N 0 0 241.334 3.875 10 0 BHAERN CCCNc1ccc(-c2nccs2)cc1 ZINC000037765177 169294297 /nfs/dbraw/zinc/29/42/97/169294297.db2.gz NQEUNUXTORSXOL-UHFFFAOYSA-N 0 0 218.325 3.632 10 0 BHAERN CC(C)CC[C@@H](C)Nc1ccc2nccnc2c1 ZINC000037772960 166895116 /nfs/dbraw/zinc/89/51/16/166895116.db2.gz YXSNYGNWLYVLNL-GFCCVEGCSA-N 0 0 243.354 3.866 10 0 BHAERN Cc1ccccc1CNc1ccc2nccnc2c1 ZINC000037773009 179285214 /nfs/dbraw/zinc/28/52/14/179285214.db2.gz JFSVPJMKSGOVEZ-UHFFFAOYSA-N 0 0 249.317 3.550 10 0 BHAERN CC1CCC(Nc2ccc3nccnc3c2)CC1 ZINC000037773017 168165542 /nfs/dbraw/zinc/16/55/42/168165542.db2.gz GAPKXRZMWYUHGT-UHFFFAOYSA-N 0 0 241.338 3.620 10 0 BHAERN c1cnc2cc(NC3CCCCCC3)ccc2n1 ZINC000037773018 183485550 /nfs/dbraw/zinc/48/55/50/183485550.db2.gz YMZPSSCXFJCLRP-UHFFFAOYSA-N 0 0 241.338 3.765 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Nc1ccc2nccnc2c1 ZINC000037773028 176082107 /nfs/dbraw/zinc/08/21/07/176082107.db2.gz RBNJSNMYAPUTBG-YPMHNXCESA-N 0 0 241.338 3.620 10 0 BHAERN C[C@H]1CCCC[C@@H]1Nc1ccc2nccnc2c1 ZINC000037773029 177083255 /nfs/dbraw/zinc/08/32/55/177083255.db2.gz RBNJSNMYAPUTBG-AAEUAGOBSA-N 0 0 241.338 3.620 10 0 BHAERN C[C@@H]1CCCC[C@H]1Nc1ccc2nccnc2c1 ZINC000037773030 176089189 /nfs/dbraw/zinc/08/91/89/176089189.db2.gz RBNJSNMYAPUTBG-DGCLKSJQSA-N 0 0 241.338 3.620 10 0 BHAERN C[C@H]1CCCC[C@H]1Nc1ccc2nccnc2c1 ZINC000037773031 177089786 /nfs/dbraw/zinc/08/97/86/177089786.db2.gz RBNJSNMYAPUTBG-WCQYABFASA-N 0 0 241.338 3.620 10 0 BHAERN C[C@@H]1CCC[C@H](Nc2ccc3nccnc3c2)C1 ZINC000037773032 176145135 /nfs/dbraw/zinc/14/51/35/176145135.db2.gz CSKLLQDTJJONAO-NEPJUHHUSA-N 0 0 241.338 3.620 10 0 BHAERN C[C@H]1CCC[C@H](Nc2ccc3nccnc3c2)C1 ZINC000037773033 177138501 /nfs/dbraw/zinc/13/85/01/177138501.db2.gz CSKLLQDTJJONAO-RYUDHWBXSA-N 0 0 241.338 3.620 10 0 BHAERN C[C@@H]1CCC[C@@H](Nc2ccc3nccnc3c2)C1 ZINC000037773034 176124221 /nfs/dbraw/zinc/12/42/21/176124221.db2.gz CSKLLQDTJJONAO-VXGBXAGGSA-N 0 0 241.338 3.620 10 0 BHAERN CCCC[C@@H](C)Nc1ccc2nccnc2c1 ZINC000037773125 168951183 /nfs/dbraw/zinc/95/11/83/168951183.db2.gz FIJWXLFSEMFCOW-LLVKDONJSA-N 0 0 229.327 3.620 10 0 BHAERN CCCC[C@H](C)Nc1ccc2nccnc2c1 ZINC000037773126 168991814 /nfs/dbraw/zinc/99/18/14/168991814.db2.gz FIJWXLFSEMFCOW-NSHDSACASA-N 0 0 229.327 3.620 10 0 BHAERN CCCCNc1cc(Cl)ccc1-n1cccn1 ZINC000037774398 168877616 /nfs/dbraw/zinc/87/76/16/168877616.db2.gz NPBWGBSQVZRBMZ-UHFFFAOYSA-N 0 0 249.745 3.738 10 0 BHAERN CC[C@H](C)Nc1cc(Cl)ccc1-n1cccn1 ZINC000037774438 171349508 /nfs/dbraw/zinc/34/95/08/171349508.db2.gz JYQMVTXQUNVERK-JTQLQIEISA-N 0 0 249.745 3.736 10 0 BHAERN CC(C)CNc1cccc(Cl)c1-n1cccn1 ZINC000037774928 167016296 /nfs/dbraw/zinc/01/62/96/167016296.db2.gz FPSRILQVEICFBD-UHFFFAOYSA-N 0 0 249.745 3.594 10 0 BHAERN CC[C@H](C)Nc1cccc(Cl)c1-n1cccn1 ZINC000037774942 171350204 /nfs/dbraw/zinc/35/02/04/171350204.db2.gz IWMFIDMTOLAAJW-JTQLQIEISA-N 0 0 249.745 3.736 10 0 BHAERN CC(C)[C@@H](C)Nc1cccc(N2CCCC2)c1 ZINC000037775034 167388043 /nfs/dbraw/zinc/38/80/43/167388043.db2.gz JZKKAKUEJANDBI-CYBMUJFWSA-N 0 0 232.371 3.743 10 0 BHAERN CCC(CC)Nc1cccc(N2CCCC2)c1 ZINC000037775050 168393335 /nfs/dbraw/zinc/39/33/35/168393335.db2.gz JLHJIMNDJHSKKW-UHFFFAOYSA-N 0 0 232.371 3.887 10 0 BHAERN c1cc(NC2CCCC2)cc(N2CCCC2)c1 ZINC000037775061 187597776 /nfs/dbraw/zinc/59/77/76/187597776.db2.gz NHHKDDVCHXKCFA-UHFFFAOYSA-N 0 0 230.355 3.641 10 0 BHAERN CCC[C@@H](C)Nc1cccc(N2CCCC2)c1 ZINC000037775119 169372035 /nfs/dbraw/zinc/37/20/35/169372035.db2.gz MUCSNVYTADRTRI-CYBMUJFWSA-N 0 0 232.371 3.887 10 0 BHAERN CC[C@@H](C)CNc1cccc(N2CCCC2)c1 ZINC000037775189 170709709 /nfs/dbraw/zinc/70/97/09/170709709.db2.gz NHTOQZXUMQBIOL-CYBMUJFWSA-N 0 0 232.371 3.745 10 0 BHAERN CC[C@H](C)CNc1cccc(N2CCCC2)c1 ZINC000037775190 171289169 /nfs/dbraw/zinc/28/91/69/171289169.db2.gz NHTOQZXUMQBIOL-ZDUSSCGKSA-N 0 0 232.371 3.745 10 0 BHAERN CCCCCNc1cccc(N2CCCC2)c1 ZINC000037775220 168722056 /nfs/dbraw/zinc/72/20/56/168722056.db2.gz KVSYWXOCHAGUND-UHFFFAOYSA-N 0 0 232.371 3.889 10 0 BHAERN CC(C)CCNc1ccc(-c2cnco2)cc1 ZINC000037775343 166867084 /nfs/dbraw/zinc/86/70/84/166867084.db2.gz DGLKAYNTSWMANW-UHFFFAOYSA-N 0 0 230.311 3.800 10 0 BHAERN CC[C@H](C)Nc1ccc(-c2cnco2)cc1 ZINC000037775370 171349742 /nfs/dbraw/zinc/34/97/42/171349742.db2.gz KOJMZGMKSBOAGM-JTQLQIEISA-N 0 0 216.284 3.552 10 0 BHAERN CCC[C@@H](C)Nc1ccc(-c2cnco2)cc1 ZINC000037775372 169371861 /nfs/dbraw/zinc/37/18/61/169371861.db2.gz LJFUFCNGIPONAN-LLVKDONJSA-N 0 0 230.311 3.942 10 0 BHAERN CCCOc1cc(C)ccc1N[C@@H](C)C1CC1 ZINC000037778142 169314848 /nfs/dbraw/zinc/31/48/48/169314848.db2.gz XQMRKQUIZARENC-LBPRGKRZSA-N 0 0 233.355 3.994 10 0 BHAERN CCCOc1cc(C)ccc1N[C@H](C)C1CC1 ZINC000037778143 169314772 /nfs/dbraw/zinc/31/47/72/169314772.db2.gz XQMRKQUIZARENC-GFCCVEGCSA-N 0 0 233.355 3.994 10 0 BHAERN CCCNc1cccc(-c2nccs2)c1 ZINC000037778281 169294923 /nfs/dbraw/zinc/29/49/23/169294923.db2.gz WBZWPIFGRCURAM-UHFFFAOYSA-N 0 0 218.325 3.632 10 0 BHAERN CC(C)CCNc1cccc(-c2cnco2)c1 ZINC000037779547 166867645 /nfs/dbraw/zinc/86/76/45/166867645.db2.gz LVFJULIOAPHWPC-UHFFFAOYSA-N 0 0 230.311 3.800 10 0 BHAERN CCC[C@@H](C)Nc1cccc(-c2cnco2)c1 ZINC000037779576 169372666 /nfs/dbraw/zinc/37/26/66/169372666.db2.gz LPYSYAKDCSAYNX-LLVKDONJSA-N 0 0 230.311 3.942 10 0 BHAERN C[C@H](Nc1cccc(-c2cnco2)c1)C1(C)CC1 ZINC000037779654 176935296 /nfs/dbraw/zinc/93/52/96/176935296.db2.gz USMOVOQFOZJRHW-NSHDSACASA-N 0 0 242.322 3.942 10 0 BHAERN C[C@@H](Nc1cccc(-c2cnco2)c1)C1(C)CC1 ZINC000037779655 175932508 /nfs/dbraw/zinc/93/25/08/175932508.db2.gz USMOVOQFOZJRHW-LLVKDONJSA-N 0 0 242.322 3.942 10 0 BHAERN CCOc1cccc(NCCc2ccccc2)c1 ZINC000037780278 712756695 /nfs/dbraw/zinc/75/66/95/712756695.db2.gz BVEOPZDRFRDUGN-UHFFFAOYSA-N 0 0 241.334 3.740 10 0 BHAERN CCC[C@@H](C)CNc1cccc(OCC)c1 ZINC000037780544 169360648 /nfs/dbraw/zinc/36/06/48/169360648.db2.gz NRHYELBQODMPRS-GFCCVEGCSA-N 0 0 221.344 3.933 10 0 BHAERN CCOc1ccc(Cl)cc1NC(C)C ZINC000037780846 364753248 /nfs/dbraw/zinc/75/32/48/364753248.db2.gz JJITXWYJCJPVRT-UHFFFAOYSA-N 0 0 213.708 3.559 10 0 BHAERN CC[C@H](C)Nc1ccc(N2CCCC2)c(F)c1 ZINC000037781070 171349963 /nfs/dbraw/zinc/34/99/63/171349963.db2.gz ZHQIVAZVEKEZSN-NSHDSACASA-N 0 0 236.334 3.636 10 0 BHAERN CCOc1ccc(N[C@@H](C)C2(C)CC2)c(C)c1 ZINC000037781892 170553697 /nfs/dbraw/zinc/55/36/97/170553697.db2.gz KQFGSRQFRRTJOT-LBPRGKRZSA-N 0 0 233.355 3.994 10 0 BHAERN CCOc1ccc(N[C@H](C)C2(C)CC2)c(C)c1 ZINC000037781893 170554213 /nfs/dbraw/zinc/55/42/13/170554213.db2.gz KQFGSRQFRRTJOT-GFCCVEGCSA-N 0 0 233.355 3.994 10 0 BHAERN COc1cc(C)ccc1N[C@H]1CCC[C@@H](C)C1 ZINC000037783185 174969300 /nfs/dbraw/zinc/96/93/00/174969300.db2.gz KEPPSSYSNZFYGW-YPMHNXCESA-N 0 0 233.355 3.994 10 0 BHAERN CC(C)CC[C@@H](C)Nc1cccc2n[nH]cc21 ZINC000037783727 166893770 /nfs/dbraw/zinc/89/37/70/166893770.db2.gz JQRGHSKUDZCFRV-LLVKDONJSA-N 0 0 231.343 3.800 10 0 BHAERN C[C@@H](Nc1cccc2n[nH]cc21)c1cccs1 ZINC000037783779 175933126 /nfs/dbraw/zinc/93/31/26/175933126.db2.gz GEJRYKBKOKBYAN-SECBINFHSA-N 0 0 243.335 3.798 10 0 BHAERN CC1CCC(Nc2cccc3n[nH]cc32)CC1 ZINC000037783808 168165235 /nfs/dbraw/zinc/16/52/35/168165235.db2.gz LNRUUFAHESQBRW-UHFFFAOYSA-N 0 0 229.327 3.554 10 0 BHAERN c1[nH]nc2cccc(NC3CCCCCC3)c12 ZINC000037783809 183357612 /nfs/dbraw/zinc/35/76/12/183357612.db2.gz FRFYEYZBXIVVOU-UHFFFAOYSA-N 0 0 229.327 3.698 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Nc1cccc2n[nH]cc21 ZINC000037783819 176081739 /nfs/dbraw/zinc/08/17/39/176081739.db2.gz YHNXSVPFWCDAMB-PWSUYJOCSA-N 0 0 229.327 3.554 10 0 BHAERN C[C@H]1CCCC[C@@H]1Nc1cccc2n[nH]cc21 ZINC000037783820 177083503 /nfs/dbraw/zinc/08/35/03/177083503.db2.gz YHNXSVPFWCDAMB-JQWIXIFHSA-N 0 0 229.327 3.554 10 0 BHAERN C[C@@H]1CCCC[C@H]1Nc1cccc2n[nH]cc21 ZINC000037783821 176089442 /nfs/dbraw/zinc/08/94/42/176089442.db2.gz YHNXSVPFWCDAMB-ZYHUDNBSSA-N 0 0 229.327 3.554 10 0 BHAERN C[C@H]1CCCC[C@H]1Nc1cccc2n[nH]cc21 ZINC000037783822 177089674 /nfs/dbraw/zinc/08/96/74/177089674.db2.gz YHNXSVPFWCDAMB-CMPLNLGQSA-N 0 0 229.327 3.554 10 0 BHAERN C[C@@H]1CCC[C@H](Nc2cccc3n[nH]cc32)C1 ZINC000037783823 176144960 /nfs/dbraw/zinc/14/49/60/176144960.db2.gz QLXPAPAYLCLUJE-MNOVXSKESA-N 0 0 229.327 3.554 10 0 BHAERN C[C@H]1CCC[C@H](Nc2cccc3n[nH]cc32)C1 ZINC000037783824 177138155 /nfs/dbraw/zinc/13/81/55/177138155.db2.gz QLXPAPAYLCLUJE-QWRGUYRKSA-N 0 0 229.327 3.554 10 0 BHAERN C[C@@H]1CCC[C@@H](Nc2cccc3n[nH]cc32)C1 ZINC000037783825 176123959 /nfs/dbraw/zinc/12/39/59/176123959.db2.gz QLXPAPAYLCLUJE-GHMZBOCLSA-N 0 0 229.327 3.554 10 0 BHAERN C[C@@H]1CCC[C@H](C)C1Nc1cccc2n[nH]cc21 ZINC000037783827 177113558 /nfs/dbraw/zinc/11/35/58/177113558.db2.gz JJNFWZWMYYHHSQ-YWXMQNBFSA-N 0 0 243.354 3.800 10 0 BHAERN C[C@H]1CCC[C@H](C)C1Nc1cccc2n[nH]cc21 ZINC000037783828 177129719 /nfs/dbraw/zinc/12/97/19/177129719.db2.gz JJNFWZWMYYHHSQ-QWRGUYRKSA-N 0 0 243.354 3.800 10 0 BHAERN C[C@@H]1CCC[C@@H](C)C1Nc1cccc2n[nH]cc21 ZINC000037783829 176114861 /nfs/dbraw/zinc/11/48/61/176114861.db2.gz JJNFWZWMYYHHSQ-GHMZBOCLSA-N 0 0 243.354 3.800 10 0 BHAERN c1[nH]nc2cccc(NCC3CCCCC3)c12 ZINC000037783845 183357693 /nfs/dbraw/zinc/35/76/93/183357693.db2.gz UDKXYTKUPKFZFD-UHFFFAOYSA-N 0 0 229.327 3.555 10 0 BHAERN CCC(CC)Nc1cnn(Cc2ccccc2)c1 ZINC000037784949 168395265 /nfs/dbraw/zinc/39/52/65/168395265.db2.gz RQIOFCKELIUVKV-UHFFFAOYSA-N 0 0 243.354 3.532 10 0 BHAERN CCc1nc2cc(N[C@@H](C)C3CC3)ccc2o1 ZINC000037785972 172012103 /nfs/dbraw/zinc/01/21/03/172012103.db2.gz WDOLZQPYCFHUBT-VIFPVBQESA-N 0 0 230.311 3.601 10 0 BHAERN CCc1nc2cc(N[C@H](C)C3CC3)ccc2o1 ZINC000037785973 172011803 /nfs/dbraw/zinc/01/18/03/172011803.db2.gz WDOLZQPYCFHUBT-SECBINFHSA-N 0 0 230.311 3.601 10 0 BHAERN CCc1nc2cc(NC(CC)CC)ccc2o1 ZINC000037786024 172012561 /nfs/dbraw/zinc/01/25/61/172012561.db2.gz LGIQCWQROBENCM-UHFFFAOYSA-N 0 0 232.327 3.991 10 0 BHAERN CCc1nc2cc(NCCC(C)C)ccc2o1 ZINC000037786061 172012757 /nfs/dbraw/zinc/01/27/57/172012757.db2.gz LTIBJTQWDLPIQO-UHFFFAOYSA-N 0 0 232.327 3.848 10 0 BHAERN CCC[C@@H](C)Nc1ccc2oc(CC)nc2c1 ZINC000037786080 169372491 /nfs/dbraw/zinc/37/24/91/169372491.db2.gz POIAYTJIPFXRGZ-SNVBAGLBSA-N 0 0 232.327 3.991 10 0 BHAERN CCC[C@H](C)Nc1ccc2oc(CC)nc2c1 ZINC000037786081 169494504 /nfs/dbraw/zinc/49/45/04/169494504.db2.gz POIAYTJIPFXRGZ-JTQLQIEISA-N 0 0 232.327 3.991 10 0 BHAERN CCc1nc2cc(N[C@@H](C)C3(C)CC3)ccc2o1 ZINC000037786151 172012282 /nfs/dbraw/zinc/01/22/82/172012282.db2.gz MAZZAIIGXJUGJX-JTQLQIEISA-N 0 0 244.338 3.991 10 0 BHAERN CCc1nc2cc(N[C@H](C)C3(C)CC3)ccc2o1 ZINC000037786152 172012815 /nfs/dbraw/zinc/01/28/15/172012815.db2.gz MAZZAIIGXJUGJX-SNVBAGLBSA-N 0 0 244.338 3.991 10 0 BHAERN CCCCCNc1ccc2oc(CC)nc2c1 ZINC000037786172 168722279 /nfs/dbraw/zinc/72/22/79/168722279.db2.gz PEBOBNJUOHERIK-UHFFFAOYSA-N 0 0 232.327 3.992 10 0 BHAERN Cc1nn(C(C)C)c(C)c1N[C@H](C)c1ccco1 ZINC000037787322 188287961 /nfs/dbraw/zinc/28/79/61/188287961.db2.gz RPSOJGDHIOXRHX-SNVBAGLBSA-N 0 0 247.342 3.847 10 0 BHAERN Cc1nn(C(C)C)c(C)c1N[C@H](C)CC(C)C ZINC000037787407 188288280 /nfs/dbraw/zinc/28/82/80/188288280.db2.gz VNFKTLNFHNCAST-LLVKDONJSA-N 0 0 237.391 3.927 10 0 BHAERN Cc1ccc(CNc2c(C)nn(C(C)C)c2C)o1 ZINC000037787465 178637000 /nfs/dbraw/zinc/63/70/00/178637000.db2.gz PRGWCSQFKYNTGI-UHFFFAOYSA-N 0 0 247.342 3.594 10 0 BHAERN CCC(CC)CNc1c(C)nn(C(C)C)c1C ZINC000037787470 168364327 /nfs/dbraw/zinc/36/43/27/168364327.db2.gz QKNMHPZELGUGOL-UHFFFAOYSA-N 0 0 237.391 3.929 10 0 BHAERN Cc1nn(C(C)C)c(C)c1N[C@H](C)C1(C)CC1 ZINC000037787640 187940646 /nfs/dbraw/zinc/94/06/46/187940646.db2.gz GCKHATMAYJYNNP-GFCCVEGCSA-N 0 0 235.375 3.681 10 0 BHAERN Cc1nn(C(C)C)c(C)c1NCc1ccccc1 ZINC000037787662 365734184 /nfs/dbraw/zinc/73/41/84/365734184.db2.gz QMZREHLFYIDYPH-UHFFFAOYSA-N 0 0 243.354 3.693 10 0 BHAERN CCC[C@@H](C)CNc1c(C)nn(C(C)C)c1C ZINC000037787670 169360854 /nfs/dbraw/zinc/36/08/54/169360854.db2.gz CYBQTWJBWIVRDK-LLVKDONJSA-N 0 0 237.391 3.929 10 0 BHAERN CCC[C@H](C)CNc1c(C)nn(C(C)C)c1C ZINC000037787671 169483152 /nfs/dbraw/zinc/48/31/52/169483152.db2.gz CYBQTWJBWIVRDK-NSHDSACASA-N 0 0 237.391 3.929 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1c(C)nn(C(C)C)c1C ZINC000037787679 171367850 /nfs/dbraw/zinc/36/78/50/171367850.db2.gz DYQOXLCZHHDCBN-WDEREUQCSA-N 0 0 237.391 3.927 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1c(C)nn(C(C)C)c1C ZINC000037787681 171391519 /nfs/dbraw/zinc/39/15/19/171391519.db2.gz DYQOXLCZHHDCBN-QWRGUYRKSA-N 0 0 237.391 3.927 10 0 BHAERN Cc1nn(C(C)C)c(C)c1NC[C@@H]1CC=CCC1 ZINC000037787692 188288618 /nfs/dbraw/zinc/28/86/18/188288618.db2.gz MVPPDAWHEDVJEB-CQSZACIVSA-N 0 0 247.386 3.849 10 0 BHAERN Cc1ncc(CNc2ccc3[nH]ccc3c2)s1 ZINC000037797097 180159755 /nfs/dbraw/zinc/15/97/55/180159755.db2.gz LKIDAHNMLAGPDM-UHFFFAOYSA-N 0 0 243.335 3.545 10 0 BHAERN Cc1cccc(OCCCNc2ccccc2)c1 ZINC000037855087 179165583 /nfs/dbraw/zinc/16/55/83/179165583.db2.gz IYBXWQDKBARPGG-UHFFFAOYSA-N 0 0 241.334 3.876 10 0 BHAERN CC(C)CC[C@@H](C)Nc1ccc2n[nH]cc2c1 ZINC000037869129 166894857 /nfs/dbraw/zinc/89/48/57/166894857.db2.gz UBSYNPYOXXMMRP-LLVKDONJSA-N 0 0 231.343 3.800 10 0 BHAERN CC(C)CC[C@H](C)Nc1ccc2n[nH]cc2c1 ZINC000037869130 166907327 /nfs/dbraw/zinc/90/73/27/166907327.db2.gz UBSYNPYOXXMMRP-NSHDSACASA-N 0 0 231.343 3.800 10 0 BHAERN CC(C)c1ccccc1NC[C@@H](O)c1ccco1 ZINC000037876190 167640991 /nfs/dbraw/zinc/64/09/91/167640991.db2.gz WTRGMKMXSNIYBF-CQSZACIVSA-N 0 0 245.322 3.549 10 0 BHAERN CC(=O)c1oc2c(cc(F)cc2Cl)c1C ZINC000037902035 350290653 /nfs/dbraw/zinc/29/06/53/350290653.db2.gz JTSHINKHDBGZLV-UHFFFAOYSA-N 0 0 226.634 3.736 10 0 BHAERN CCC(CC)C(=O)c1c(F)cc(OC)cc1F ZINC000037903092 168342917 /nfs/dbraw/zinc/34/29/17/168342917.db2.gz QQKBJZMMWVUFDW-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CCCCCC(=O)c1c(F)cc(OC)cc1F ZINC000037903122 168643462 /nfs/dbraw/zinc/64/34/62/168643462.db2.gz YZKAJOGAYZRLBF-UHFFFAOYSA-N 0 0 242.265 3.736 10 0 BHAERN CCC[C@@H](C)C(=O)c1c(F)cc(OC)cc1F ZINC000037903133 169354304 /nfs/dbraw/zinc/35/43/04/169354304.db2.gz YMVVBSZJCXDUOW-MRVPVSSYSA-N 0 0 242.265 3.592 10 0 BHAERN C[C@@H](Nc1cccc2ccccc21)c1cc[nH]n1 ZINC000037906356 175933970 /nfs/dbraw/zinc/93/39/70/175933970.db2.gz KXRFWAXJQOCYEI-LLVKDONJSA-N 0 0 237.306 3.736 10 0 BHAERN C[C@H](Nc1ccc2ccccc2c1)c1cc[nH]n1 ZINC000037907321 176935371 /nfs/dbraw/zinc/93/53/71/176935371.db2.gz HPVCQAMSZFUIMT-NSHDSACASA-N 0 0 237.306 3.736 10 0 BHAERN C[C@H](Nc1ccccc1C(C)(C)C)c1cc[nH]n1 ZINC000037907375 176936634 /nfs/dbraw/zinc/93/66/34/176936634.db2.gz XNGDSCRASQRMCU-NSHDSACASA-N 0 0 243.354 3.880 10 0 BHAERN Cc1cc(C)c(N[C@@H](C)c2cc[nH]n2)c(C)c1 ZINC000037908373 177867476 /nfs/dbraw/zinc/86/74/76/177867476.db2.gz UHWGMSJTJQJGLM-LBPRGKRZSA-N 0 0 229.327 3.508 10 0 BHAERN CCSc1ccccc1N[C@@H](C)c1cc[nH]n1 ZINC000037908477 170657020 /nfs/dbraw/zinc/65/70/20/170657020.db2.gz CBARAAPKPDGGFG-JTQLQIEISA-N 0 0 247.367 3.695 10 0 BHAERN CSc1cccc(NCc2nc(C)c(C)o2)c1 ZINC000037909182 175581364 /nfs/dbraw/zinc/58/13/64/175581364.db2.gz QTRKMRSWWOAQGA-UHFFFAOYSA-N 0 0 248.351 3.625 10 0 BHAERN CSc1ccc(NCc2nc(C)c(C)o2)cc1 ZINC000037909217 188114765 /nfs/dbraw/zinc/11/47/65/188114765.db2.gz OKQYMSBROUPUDD-UHFFFAOYSA-N 0 0 248.351 3.625 10 0 BHAERN Clc1nc(-c2ccc(Cl)cc2Cl)no1 ZINC000037926900 350291591 /nfs/dbraw/zinc/29/15/91/350291591.db2.gz WECOERCWVOWCOT-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN Clc1nc(-c2cccc(Cl)c2Cl)no1 ZINC000037926905 350291879 /nfs/dbraw/zinc/29/18/79/350291879.db2.gz MLGPBUFBNRHAQV-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN Clc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000037926906 350291931 /nfs/dbraw/zinc/29/19/31/350291931.db2.gz XYCLQSPCSNMEHD-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN Clc1nc(-c2c(Cl)cccc2Cl)no1 ZINC000037926911 350292108 /nfs/dbraw/zinc/29/21/08/350292108.db2.gz NBBJFQWQKLAQRT-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN COc1ccc(CCCNc2ccccc2)cc1 ZINC000037927663 175089365 /nfs/dbraw/zinc/08/93/65/175089365.db2.gz PJGCDRQQNFOPFY-UHFFFAOYSA-N 0 0 241.334 3.740 10 0 BHAERN COC(=N)Cc1c(C)cc(C(C)(C)C)cc1C ZINC000037927964 187261420 /nfs/dbraw/zinc/26/14/20/187261420.db2.gz XKFRHLKCHSAEQG-UHFFFAOYSA-N 0 0 233.355 3.767 10 0 BHAERN CCOC(=N)C(c1ccccc1)c1ccccc1 ZINC000037928028 170180047 /nfs/dbraw/zinc/18/00/47/170180047.db2.gz CULCXPSPYGPFDP-UHFFFAOYSA-N 0 0 239.318 3.832 10 0 BHAERN CC(=O)[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000037947280 187937037 /nfs/dbraw/zinc/93/70/37/187937037.db2.gz JMIZZRADXDHQTG-NSHDSACASA-N 0 0 218.340 3.752 10 0 BHAERN CC(=O)[C@@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000037947286 187771780 /nfs/dbraw/zinc/77/17/80/187771780.db2.gz XVLDDLIRHMTNLC-ZETCQYMHSA-N 0 0 231.122 3.761 10 0 BHAERN CC(=O)[C@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000037947287 386104607 /nfs/dbraw/zinc/10/46/07/386104607.db2.gz XVLDDLIRHMTNLC-SSDOTTSWSA-N 0 0 231.122 3.761 10 0 BHAERN Cc1[nH]c2c(-c3ccccc3)cccc2c(=O)c1C ZINC000037947586 187253670 /nfs/dbraw/zinc/25/36/70/187253670.db2.gz NLTOGTYWEUWILM-UHFFFAOYSA-N 0 0 249.313 3.812 10 0 BHAERN CCOc1ccc2nc(C)c(C)c(Cl)c2c1 ZINC000037947770 343144858 /nfs/dbraw/zinc/14/48/58/343144858.db2.gz CTOQMWNOQZMZJI-UHFFFAOYSA-N 0 0 235.714 3.904 10 0 BHAERN CCOc1cccc2c(Cl)c(C)c(C)nc12 ZINC000037947775 343014521 /nfs/dbraw/zinc/01/45/21/343014521.db2.gz XMKRSWDGZGAWEM-UHFFFAOYSA-N 0 0 235.714 3.904 10 0 BHAERN Cc1ccc(F)c2nc(C)c(C)c(Cl)c12 ZINC000037947776 350292808 /nfs/dbraw/zinc/29/28/08/350292808.db2.gz BCZRSTDUYRDJJS-UHFFFAOYSA-N 0 0 223.678 3.953 10 0 BHAERN Cc1nc2cc(F)c(F)cc2c(Cl)c1C ZINC000037947789 350293108 /nfs/dbraw/zinc/29/31/08/350293108.db2.gz AZYAFKNAXLHILO-UHFFFAOYSA-N 0 0 227.641 3.783 10 0 BHAERN Cc1ccccc1-c1nc(C)c(C)c(Cl)n1 ZINC000037947819 179238158 /nfs/dbraw/zinc/23/81/58/179238158.db2.gz SREIZZHZZULRDK-UHFFFAOYSA-N 0 0 232.714 3.722 10 0 BHAERN Cc1ccc(-c2nc(C)c(C)c(Cl)n2)cc1 ZINC000037947820 178332698 /nfs/dbraw/zinc/33/26/98/178332698.db2.gz KWGXXMBAVCWYJC-UHFFFAOYSA-N 0 0 232.714 3.722 10 0 BHAERN Cc1cccc(-c2nc(C)c(C)c(Cl)n2)c1 ZINC000037947822 178995645 /nfs/dbraw/zinc/99/56/45/178995645.db2.gz JCYZLCQIRLIERW-UHFFFAOYSA-N 0 0 232.714 3.722 10 0 BHAERN Cc1ccc(-c2nc(C)c(C)c(Cl)n2)s1 ZINC000037947855 350292545 /nfs/dbraw/zinc/29/25/45/350292545.db2.gz RPCFPUXRGVCNOP-UHFFFAOYSA-N 0 0 238.743 3.784 10 0 BHAERN CCC[C@](C)(Nc1ccc(C)cc1)C(=O)OCC ZINC000037953500 169549829 /nfs/dbraw/zinc/54/98/29/169549829.db2.gz OSXUAZJLLJFKNO-HNNXBMFYSA-N 0 0 249.354 3.529 10 0 BHAERN CCC[C@@](C)(Nc1ccc(C)cc1)C(=O)OCC ZINC000037953501 169454870 /nfs/dbraw/zinc/45/48/70/169454870.db2.gz OSXUAZJLLJFKNO-OAHLLOKOSA-N 0 0 249.354 3.529 10 0 BHAERN CCOC(=O)C(CC)(CC)Nc1ccc(C)cc1 ZINC000037953532 170187898 /nfs/dbraw/zinc/18/78/98/170187898.db2.gz ZIZXZLLVHWUJHI-UHFFFAOYSA-N 0 0 249.354 3.529 10 0 BHAERN CCCCC[C@H](Nc1ccccc1)C(=O)OCC ZINC000037954244 168745174 /nfs/dbraw/zinc/74/51/74/168745174.db2.gz ACVHYHSJZSQSRG-AWEZNQCLSA-N 0 0 249.354 3.611 10 0 BHAERN CCC[C@@](C)(Nc1ccccc1C)C(=O)OCC ZINC000037954769 169454602 /nfs/dbraw/zinc/45/46/02/169454602.db2.gz WGGNFRHGXITRMB-OAHLLOKOSA-N 0 0 249.354 3.529 10 0 BHAERN CCOC(=O)C(CC)(CC)Nc1ccccc1C ZINC000037954800 170188090 /nfs/dbraw/zinc/18/80/90/170188090.db2.gz IFLFBBCMRHQNMA-UHFFFAOYSA-N 0 0 249.354 3.529 10 0 BHAERN CCC[C@@](C)(Nc1cccc(C)c1)C(=O)OCC ZINC000037958225 169454839 /nfs/dbraw/zinc/45/48/39/169454839.db2.gz BKBFILKMZKSOER-OAHLLOKOSA-N 0 0 249.354 3.529 10 0 BHAERN CCOC(=O)C(CC)(CC)Nc1cccc(C)c1 ZINC000037958256 170188272 /nfs/dbraw/zinc/18/82/72/170188272.db2.gz KOQZHHUCVKHSHH-UHFFFAOYSA-N 0 0 249.354 3.529 10 0 BHAERN O=Cc1csc(-c2ccc3ccccc3c2)n1 ZINC000037974054 712793267 /nfs/dbraw/zinc/79/32/67/712793267.db2.gz VUGWQJVSOKKRPA-UHFFFAOYSA-N 0 0 239.299 3.776 10 0 BHAERN C[C@H](Nc1ccccn1)c1cccc(Cl)c1 ZINC000037975311 350296316 /nfs/dbraw/zinc/29/63/16/350296316.db2.gz FHBAMLAUSPQRNT-JTQLQIEISA-N 0 0 232.714 3.908 10 0 BHAERN CCc1ccc([C@@H](C)Nc2ccccn2)cc1 ZINC000037975932 386112380 /nfs/dbraw/zinc/11/23/80/386112380.db2.gz MBZRZBPTGBQAAG-GFCCVEGCSA-N 0 0 226.323 3.817 10 0 BHAERN CCc1ccc([C@H](C)Nc2ccccn2)cc1 ZINC000037975933 386110662 /nfs/dbraw/zinc/11/06/62/386110662.db2.gz MBZRZBPTGBQAAG-LBPRGKRZSA-N 0 0 226.323 3.817 10 0 BHAERN C[C@H](Nc1nccs1)c1cccc(Cl)c1 ZINC000037976797 712793154 /nfs/dbraw/zinc/79/31/54/712793154.db2.gz LNQJGWSQBSIKSR-QMMMGPOBSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](Nc1nccs1)c1cccc(Cl)c1 ZINC000037976798 712793874 /nfs/dbraw/zinc/79/38/74/712793874.db2.gz LNQJGWSQBSIKSR-MRVPVSSYSA-N 0 0 238.743 3.970 10 0 BHAERN CCc1ccc([C@@H](C)Nc2nccs2)cc1 ZINC000037976811 712793737 /nfs/dbraw/zinc/79/37/37/712793737.db2.gz DAHYOBMANZXJLV-SNVBAGLBSA-N 0 0 232.352 3.879 10 0 BHAERN CCc1ccc([C@H](C)Nc2nccs2)cc1 ZINC000037976812 712793513 /nfs/dbraw/zinc/79/35/13/712793513.db2.gz DAHYOBMANZXJLV-JTQLQIEISA-N 0 0 232.352 3.879 10 0 BHAERN Nc1ncc(-c2ccc(Cl)c(Cl)c2)s1 ZINC000037979979 343363850 /nfs/dbraw/zinc/36/38/50/343363850.db2.gz PBQSADWTFOXWRY-UHFFFAOYSA-N 0 0 245.134 3.699 10 0 BHAERN Clc1ccc(Oc2ccccc2Cl)nn1 ZINC000037981379 353119871 /nfs/dbraw/zinc/11/98/71/353119871.db2.gz BQWXLYVNIJXROJ-UHFFFAOYSA-N 0 0 241.077 3.576 10 0 BHAERN Cc1csc(N[C@@H](C)c2ccc(C)o2)n1 ZINC000037981594 179788694 /nfs/dbraw/zinc/78/86/94/179788694.db2.gz DTDZJPNTXVKOJW-VIFPVBQESA-N 0 0 222.313 3.526 10 0 BHAERN Clc1nsnc1Oc1ccccc1Cl ZINC000037981612 343363762 /nfs/dbraw/zinc/36/37/62/343363762.db2.gz FDTRYHRYIGJPAK-UHFFFAOYSA-N 0 0 247.106 3.637 10 0 BHAERN Clc1nsnc1Oc1ccc(Cl)cc1 ZINC000037981613 343363535 /nfs/dbraw/zinc/36/35/35/343363535.db2.gz GVYFIKAGOUFQSK-UHFFFAOYSA-N 0 0 247.106 3.637 10 0 BHAERN Clc1nsnc1Oc1cccc(Cl)c1 ZINC000037981622 343363780 /nfs/dbraw/zinc/36/37/80/343363780.db2.gz SKLBWNXXNCYZGY-UHFFFAOYSA-N 0 0 247.106 3.637 10 0 BHAERN Cc1cccc(Oc2nsnc2Cl)c1C ZINC000037981678 179176240 /nfs/dbraw/zinc/17/62/40/179176240.db2.gz PRZRSMHCRWIWAS-UHFFFAOYSA-N 0 0 240.715 3.601 10 0 BHAERN Cc1ccc(Oc2nsnc2Cl)c(C)c1 ZINC000037981692 178821975 /nfs/dbraw/zinc/82/19/75/178821975.db2.gz GFWJWRGCOURQDA-UHFFFAOYSA-N 0 0 240.715 3.601 10 0 BHAERN Cc1ccccc1CC(=O)c1cccc(F)c1 ZINC000037992309 179260690 /nfs/dbraw/zinc/26/06/90/179260690.db2.gz ZKSUFRFAOOEYLR-UHFFFAOYSA-N 0 0 228.266 3.560 10 0 BHAERN O=C(Cc1ccc(Cl)cc1)c1ccsc1 ZINC000037992329 182035211 /nfs/dbraw/zinc/03/52/11/182035211.db2.gz YUEGILNMZKIIBN-UHFFFAOYSA-N 0 0 236.723 3.827 10 0 BHAERN O=C(Cc1ccccc1Cl)c1ccsc1 ZINC000037992336 182045476 /nfs/dbraw/zinc/04/54/76/182045476.db2.gz IPIDOVGDKRPXHG-UHFFFAOYSA-N 0 0 236.723 3.827 10 0 BHAERN Cc1cccc(C(=O)Cc2ccc(F)cc2)c1 ZINC000037992338 179004416 /nfs/dbraw/zinc/00/44/16/179004416.db2.gz TVSCZIAXMLJHQX-UHFFFAOYSA-N 0 0 228.266 3.560 10 0 BHAERN Cc1cccc(C(=O)Cc2ccccc2F)c1 ZINC000037992343 179004065 /nfs/dbraw/zinc/00/40/65/179004065.db2.gz VNCWTXWWGGVXTE-UHFFFAOYSA-N 0 0 228.266 3.560 10 0 BHAERN Cc1cccc(C(=O)Cc2cccc(F)c2)c1 ZINC000037992345 343143510 /nfs/dbraw/zinc/14/35/10/343143510.db2.gz WJUJKBBSCUIZLG-UHFFFAOYSA-N 0 0 228.266 3.560 10 0 BHAERN Cc1ccc(C(=O)Cc2cccc(F)c2)cc1F ZINC000037992347 178374704 /nfs/dbraw/zinc/37/47/04/178374704.db2.gz SHOOQODXBSSJKT-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN Cc1ccc([C@@H](C)Nc2nc3ccccc3o2)o1 ZINC000037998598 178851214 /nfs/dbraw/zinc/85/12/14/178851214.db2.gz PRYAEUPILNNDJL-SNVBAGLBSA-N 0 0 242.278 3.902 10 0 BHAERN Cc1ccc([C@H](C)Nc2nc3ccccc3o2)o1 ZINC000037998599 363899353 /nfs/dbraw/zinc/89/93/53/363899353.db2.gz PRYAEUPILNNDJL-JTQLQIEISA-N 0 0 242.278 3.902 10 0 BHAERN CCc1c(C)nc(-c2ccsc2)nc1Cl ZINC000038004007 343365114 /nfs/dbraw/zinc/36/51/14/343365114.db2.gz JIEHWTFDPWRANL-UHFFFAOYSA-N 0 0 238.743 3.729 10 0 BHAERN CCc1c(C)nc(C2CCCC2)nc1Cl ZINC000038004013 343364977 /nfs/dbraw/zinc/36/49/77/343364977.db2.gz BOMGTCFSMOIRRJ-UHFFFAOYSA-N 0 0 224.735 3.658 10 0 BHAERN CCc1c(C)nc(-c2cccs2)nc1Cl ZINC000038004033 171740889 /nfs/dbraw/zinc/74/08/89/171740889.db2.gz ZCIBIQMQZHHZSG-UHFFFAOYSA-N 0 0 238.743 3.729 10 0 BHAERN CC[C@@H](Cc1ccc(Cl)s1)C(C)=O ZINC000038004150 170855328 /nfs/dbraw/zinc/85/53/28/170855328.db2.gz FWBISARCOPVSFK-QMMMGPOBSA-N 0 0 216.733 3.559 10 0 BHAERN CC[C@@H](C/C=C/c1ccccc1)C(C)=O ZINC000038004198 170811315 /nfs/dbraw/zinc/81/13/15/170811315.db2.gz JVSOTSRJBCIRAG-RNVIBTMRSA-N 0 0 202.297 3.705 10 0 BHAERN CC[C@H](Cc1cccc(C(F)(F)F)c1)C(C)=O ZINC000038004211 171470311 /nfs/dbraw/zinc/47/03/11/171470311.db2.gz YRPWQFBDBIVMQB-LLVKDONJSA-N 0 0 244.256 3.863 10 0 BHAERN CCCCc1ccc2[nH]c(C)c(CC)c(=O)c2c1 ZINC000038005094 169024486 /nfs/dbraw/zinc/02/44/86/169024486.db2.gz RMMSDJJBONMNEX-UHFFFAOYSA-N 0 0 243.350 3.742 10 0 BHAERN CCN(c1ccccc1)c1c(F)cc(N)cc1F ZINC000038039815 169943735 /nfs/dbraw/zinc/94/37/35/169943735.db2.gz NHNJQWZBWCAVIM-UHFFFAOYSA-N 0 0 248.276 3.705 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Nc1c(F)cc(N)cc1F ZINC000038039912 176081972 /nfs/dbraw/zinc/08/19/72/176081972.db2.gz NQSWGDKJVROYIW-PELKAZGASA-N 0 0 240.297 3.538 10 0 BHAERN C[C@H]1CCCC[C@@H]1Nc1c(F)cc(N)cc1F ZINC000038039913 177083517 /nfs/dbraw/zinc/08/35/17/177083517.db2.gz NQSWGDKJVROYIW-UFBFGSQYSA-N 0 0 240.297 3.538 10 0 BHAERN C[C@@H]1CCCC[C@H]1Nc1c(F)cc(N)cc1F ZINC000038039914 176089092 /nfs/dbraw/zinc/08/90/92/176089092.db2.gz NQSWGDKJVROYIW-PRHODGIISA-N 0 0 240.297 3.538 10 0 BHAERN C[C@H]1CCCC[C@H]1Nc1c(F)cc(N)cc1F ZINC000038039915 177089505 /nfs/dbraw/zinc/08/95/05/177089505.db2.gz NQSWGDKJVROYIW-QPUJVOFHSA-N 0 0 240.297 3.538 10 0 BHAERN CC1CCC(Nc2c(F)cc(N)cc2F)CC1 ZINC000038039929 168165803 /nfs/dbraw/zinc/16/58/03/168165803.db2.gz GBXWXCZZYINSEW-UHFFFAOYSA-N 0 0 240.297 3.538 10 0 BHAERN CCc1cccc(Nc2c(F)cc(N)cc2F)c1 ZINC000038040017 171864665 /nfs/dbraw/zinc/86/46/65/171864665.db2.gz DXSHHLNZLGDRQO-UHFFFAOYSA-N 0 0 248.276 3.853 10 0 BHAERN Cc1cccc(Nc2c(F)cc(N)cc2F)c1C ZINC000038040019 179158534 /nfs/dbraw/zinc/15/85/34/179158534.db2.gz AMCOSRVDUCYGKL-UHFFFAOYSA-N 0 0 248.276 3.907 10 0 BHAERN Cc1cccc(Nc2c(F)cc(N)cc2F)c1 ZINC000038040021 179158589 /nfs/dbraw/zinc/15/85/89/179158589.db2.gz BASJMONMLRXAIR-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Cc1ccccc1Nc1c(F)cc(N)cc1F ZINC000038040026 179307768 /nfs/dbraw/zinc/30/77/68/179307768.db2.gz HQGFMHJVRGNTSV-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN Nc1cc(F)c(NC2CCCCCC2)c(F)c1 ZINC000038040043 181685581 /nfs/dbraw/zinc/68/55/81/181685581.db2.gz WMODGUAIMFQSTD-UHFFFAOYSA-N 0 0 240.297 3.682 10 0 BHAERN C[C@@H]1CCC[C@H](Nc2c(F)cc(N)cc2F)C1 ZINC000038040072 176145502 /nfs/dbraw/zinc/14/55/02/176145502.db2.gz MIONJMSDCPWZJC-SCZZXKLOSA-N 0 0 240.297 3.538 10 0 BHAERN C[C@H]1CCC[C@H](Nc2c(F)cc(N)cc2F)C1 ZINC000038040073 177137838 /nfs/dbraw/zinc/13/78/38/177137838.db2.gz MIONJMSDCPWZJC-WPRPVWTQSA-N 0 0 240.297 3.538 10 0 BHAERN C[C@@H]1CCC[C@@H](Nc2c(F)cc(N)cc2F)C1 ZINC000038040074 176124655 /nfs/dbraw/zinc/12/46/55/176124655.db2.gz MIONJMSDCPWZJC-PSASIEDQSA-N 0 0 240.297 3.538 10 0 BHAERN Cc1ccc(Oc2c(F)cc(N)cc2F)c(C)c1 ZINC000038040254 178819834 /nfs/dbraw/zinc/81/98/34/178819834.db2.gz RUDQEWDLSVGNGM-UHFFFAOYSA-N 0 0 249.260 3.956 10 0 BHAERN Cc1cccc(Oc2c(F)cc(N)cc2F)c1C ZINC000038040260 179175814 /nfs/dbraw/zinc/17/58/14/179175814.db2.gz OSQHVOXXBVWGLF-UHFFFAOYSA-N 0 0 249.260 3.956 10 0 BHAERN Cc1cccc(Oc2c(F)cc(N)cc2F)c1 ZINC000038040271 179175745 /nfs/dbraw/zinc/17/57/45/179175745.db2.gz OWNJHIYNYLWMJF-UHFFFAOYSA-N 0 0 235.233 3.648 10 0 BHAERN Cc1ccccc1Oc1c(F)cc(N)cc1F ZINC000038040272 179314129 /nfs/dbraw/zinc/31/41/29/179314129.db2.gz XXISDMUDMYDRKN-UHFFFAOYSA-N 0 0 235.233 3.648 10 0 BHAERN Cc1ccc(Oc2c(F)cc(N)cc2F)cc1 ZINC000038040292 178819625 /nfs/dbraw/zinc/81/96/25/178819625.db2.gz PFLCDMKZCSFTCR-UHFFFAOYSA-N 0 0 235.233 3.648 10 0 BHAERN CC1CCC(Oc2c(F)cc(N)cc2F)CC1 ZINC000038040302 168167979 /nfs/dbraw/zinc/16/79/79/168167979.db2.gz RBWYPZBKCZTGQD-UHFFFAOYSA-N 0 0 241.281 3.505 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Oc1c(F)cc(N)cc1F ZINC000038040308 176083064 /nfs/dbraw/zinc/08/30/64/176083064.db2.gz SKGKLSBNNIBDEC-PELKAZGASA-N 0 0 241.281 3.505 10 0 BHAERN C[C@@H]1CCCC[C@H]1Oc1c(F)cc(N)cc1F ZINC000038040310 176090086 /nfs/dbraw/zinc/09/00/86/176090086.db2.gz SKGKLSBNNIBDEC-PRHODGIISA-N 0 0 241.281 3.505 10 0 BHAERN C[C@H]1CCCC[C@H]1Oc1c(F)cc(N)cc1F ZINC000038040311 177090267 /nfs/dbraw/zinc/09/02/67/177090267.db2.gz SKGKLSBNNIBDEC-QPUJVOFHSA-N 0 0 241.281 3.505 10 0 BHAERN C[C@H](Oc1c(F)cc(N)cc1F)c1ccccc1 ZINC000038040324 177021801 /nfs/dbraw/zinc/02/18/01/177021801.db2.gz QECUIAWNHKVJLO-VIFPVBQESA-N 0 0 249.260 3.687 10 0 BHAERN C[C@@H](Oc1c(F)cc(N)cc1F)c1ccccc1 ZINC000038040325 176004005 /nfs/dbraw/zinc/00/40/05/176004005.db2.gz QECUIAWNHKVJLO-SECBINFHSA-N 0 0 249.260 3.687 10 0 BHAERN CCc1cccc(Oc2c(F)cc(N)cc2F)c1 ZINC000038040330 171866619 /nfs/dbraw/zinc/86/66/19/171866619.db2.gz REIFLWFTDFEOFU-UHFFFAOYSA-N 0 0 249.260 3.902 10 0 BHAERN C[C@@H]1CCC[C@H](Oc2c(F)cc(N)cc2F)C1 ZINC000038040360 176146144 /nfs/dbraw/zinc/14/61/44/176146144.db2.gz KLSGJENBTDCZGY-SCZZXKLOSA-N 0 0 241.281 3.505 10 0 BHAERN C[C@H]1CCC[C@H](Oc2c(F)cc(N)cc2F)C1 ZINC000038040361 177138649 /nfs/dbraw/zinc/13/86/49/177138649.db2.gz KLSGJENBTDCZGY-WPRPVWTQSA-N 0 0 241.281 3.505 10 0 BHAERN C[C@@H]1CCC[C@@H](Oc2c(F)cc(N)cc2F)C1 ZINC000038040362 176125256 /nfs/dbraw/zinc/12/52/56/176125256.db2.gz KLSGJENBTDCZGY-PSASIEDQSA-N 0 0 241.281 3.505 10 0 BHAERN C[C@H]1CCC[C@@H](Oc2c(F)cc(N)cc2F)C1 ZINC000038040363 177123383 /nfs/dbraw/zinc/12/33/83/177123383.db2.gz KLSGJENBTDCZGY-WCBMZHEXSA-N 0 0 241.281 3.505 10 0 BHAERN CCc1ccccc1Oc1c(F)cc(N)cc1F ZINC000038040375 171891821 /nfs/dbraw/zinc/89/18/21/171891821.db2.gz GHRZUEWBZHCFNZ-UHFFFAOYSA-N 0 0 249.260 3.902 10 0 BHAERN Nc1ccc2c(c1)N(C1CCCCC1)CCS2 ZINC000038051495 132346108 /nfs/dbraw/zinc/34/61/08/132346108.db2.gz JAEZZUKYUHMENR-UHFFFAOYSA-N 0 0 248.395 3.514 10 0 BHAERN Cc1cccc2oc(-c3c(N)cccc3F)nc21 ZINC000038052675 179233252 /nfs/dbraw/zinc/23/32/52/179233252.db2.gz FLJUIJXDPPACSB-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN Cc1cccc2oc(CNc3ccccc3)nc21 ZINC000038052699 179233317 /nfs/dbraw/zinc/23/33/17/179233317.db2.gz YMODXGBLEZDMEG-UHFFFAOYSA-N 0 0 238.290 3.748 10 0 BHAERN Cc1cccc2oc(-c3ccc(F)c(N)c3)nc21 ZINC000038052710 179233043 /nfs/dbraw/zinc/23/30/43/179233043.db2.gz DIMHWXGXDFXQQU-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN Cc1cccc2oc(-c3cc(N)ccc3F)nc21 ZINC000038052711 179232971 /nfs/dbraw/zinc/23/29/71/179232971.db2.gz SIWMNPDIRSBRCH-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN Cc1cccc2oc(-c3cc(F)ccc3N)nc21 ZINC000038052729 179232912 /nfs/dbraw/zinc/23/29/12/179232912.db2.gz CMPQYIKMLTUXEE-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN Cc1cccc2oc(-c3ccc(F)cc3N)nc21 ZINC000038052798 179232759 /nfs/dbraw/zinc/23/27/59/179232759.db2.gz ADDQWCNBHPSNBK-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN Cc1ccc(C(C)C)cc1Oc1ncccc1N ZINC000038052819 178455116 /nfs/dbraw/zinc/45/51/16/178455116.db2.gz PRLFYNDRLOMBTF-UHFFFAOYSA-N 0 0 242.322 3.888 10 0 BHAERN Cc1ccc(C(C)C)cc1O[C@@H]1CCCC[C@H]1O ZINC000038052921 178455030 /nfs/dbraw/zinc/45/50/30/178455030.db2.gz LEWBAJNIMMXZQU-HUUCEWRRSA-N 0 0 248.366 3.801 10 0 BHAERN c1cc2c(c(OC3CCCCC3)c1)NCCC2 ZINC000038056134 183365086 /nfs/dbraw/zinc/36/50/86/183365086.db2.gz QADIFTZATGCCKN-UHFFFAOYSA-N 0 0 231.339 3.756 10 0 BHAERN c1cc(COc2cccc3c2NCCC3)cs1 ZINC000038056351 183364842 /nfs/dbraw/zinc/36/48/42/183364842.db2.gz USWOCMITFTYEKV-UHFFFAOYSA-N 0 0 245.347 3.685 10 0 BHAERN Nc1cccc(Oc2nccc3sccc32)c1 ZINC000038056466 181747952 /nfs/dbraw/zinc/74/79/52/181747952.db2.gz MYLQFOXZYFPKLB-UHFFFAOYSA-N 0 0 242.303 3.671 10 0 BHAERN Nc1ccccc1Oc1nccc2sccc21 ZINC000038056549 181756898 /nfs/dbraw/zinc/75/68/98/181756898.db2.gz WZCSEVVQVVUBCY-UHFFFAOYSA-N 0 0 242.303 3.671 10 0 BHAERN CNc1ccc(OCc2ccccc2Cl)cc1 ZINC000038057103 173480691 /nfs/dbraw/zinc/48/06/91/173480691.db2.gz IQFZQVQAALLSJO-UHFFFAOYSA-N 0 0 247.725 3.961 10 0 BHAERN CCC(CC)C(=O)c1ccc2c(c1)CCCO2 ZINC000038057569 168342517 /nfs/dbraw/zinc/34/25/17/168342517.db2.gz VLKHUWHUADUDGQ-UHFFFAOYSA-N 0 0 232.323 3.631 10 0 BHAERN CC(C)CCC(=O)c1ccc2c(c1)CCCO2 ZINC000038057599 166798578 /nfs/dbraw/zinc/79/85/78/166798578.db2.gz UIDPBSYMNRFZLP-UHFFFAOYSA-N 0 0 232.323 3.631 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc2c(c1)CCCO2 ZINC000038057600 169354178 /nfs/dbraw/zinc/35/41/78/169354178.db2.gz AQWXTYYOEZNVNI-LLVKDONJSA-N 0 0 232.323 3.631 10 0 BHAERN CS[C@@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000038064001 342875854 /nfs/dbraw/zinc/87/58/54/342875854.db2.gz AIADNXMDPWATGL-LURJTMIESA-N 0 0 249.162 3.928 10 0 BHAERN CS[C@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000038064002 342875954 /nfs/dbraw/zinc/87/59/54/342875954.db2.gz AIADNXMDPWATGL-ZCFIWIBFSA-N 0 0 249.162 3.928 10 0 BHAERN CSCC(=O)c1cc(Cl)ccc1Cl ZINC000038064017 350301620 /nfs/dbraw/zinc/30/16/20/350301620.db2.gz UVMLGQUOUJQZPO-UHFFFAOYSA-N 0 0 235.135 3.539 10 0 BHAERN Cc1csc(Oc2cccc3c2NCCC3)n1 ZINC000038068084 179790858 /nfs/dbraw/zinc/79/08/58/179790858.db2.gz BVKRYLPRQKDFOE-UHFFFAOYSA-N 0 0 246.335 3.602 10 0 BHAERN Cc1ccc(-c2cnc3ccccc3c2)cc1N ZINC000038068910 178329323 /nfs/dbraw/zinc/32/93/23/178329323.db2.gz DKLWVTNLAKDFFE-UHFFFAOYSA-N 0 0 234.302 3.792 10 0 BHAERN Cc1cc(N)ccc1-c1cnc2ccccc2c1 ZINC000038068914 188117228 /nfs/dbraw/zinc/11/72/28/188117228.db2.gz XEEYKDFVFBRZEB-UHFFFAOYSA-N 0 0 234.302 3.792 10 0 BHAERN Cc1ccc(-c2ccc(Cl)cc2)cc1N ZINC000038068923 178324214 /nfs/dbraw/zinc/32/42/14/178324214.db2.gz MHMDGEYICUKJMZ-UHFFFAOYSA-N 0 0 217.699 3.898 10 0 BHAERN Nc1ncc(-c2cccc(Cl)c2Cl)s1 ZINC000038068947 350301597 /nfs/dbraw/zinc/30/15/97/350301597.db2.gz RCKIUANIWZMXJQ-UHFFFAOYSA-N 0 0 245.134 3.699 10 0 BHAERN Cc1ccc(-c2cc(F)cc(F)c2)cc1N ZINC000038068954 178322147 /nfs/dbraw/zinc/32/21/47/178322147.db2.gz NCCFXQHTLUJRQT-UHFFFAOYSA-N 0 0 219.234 3.522 10 0 BHAERN COc1ccc(Cl)cc1-c1ccc(C)c(N)c1 ZINC000038069033 175119843 /nfs/dbraw/zinc/11/98/43/175119843.db2.gz IGQZONMUPRJWOW-UHFFFAOYSA-N 0 0 247.725 3.906 10 0 BHAERN COc1ccc(Cl)cc1-c1ccccc1N ZINC000038069036 343143563 /nfs/dbraw/zinc/14/35/63/343143563.db2.gz YSZSETIPHIZKMH-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN COc1ccc(Cl)cc1-c1ccc(N)cc1C ZINC000038069039 175120081 /nfs/dbraw/zinc/12/00/81/175120081.db2.gz OOUGUIZJPYJYEK-UHFFFAOYSA-N 0 0 247.725 3.906 10 0 BHAERN COc1ccc(Cl)cc1-c1cc(C)ccc1N ZINC000038069040 175119312 /nfs/dbraw/zinc/11/93/12/175119312.db2.gz AITUQTZXUINFRO-UHFFFAOYSA-N 0 0 247.725 3.906 10 0 BHAERN COc1ccc(Cl)cc1-c1ccc(N)c(C)c1 ZINC000038069041 175119661 /nfs/dbraw/zinc/11/96/61/175119661.db2.gz XQONSKZJCGXTMI-UHFFFAOYSA-N 0 0 247.725 3.906 10 0 BHAERN Nc1cccc(-c2cc(Cl)ccc2Cl)n1 ZINC000038069056 342915072 /nfs/dbraw/zinc/91/50/72/342915072.db2.gz SPCFBRFXPIOMLN-UHFFFAOYSA-N 0 0 239.105 3.638 10 0 BHAERN Nc1ncc(-c2cc(Cl)ccc2Cl)s1 ZINC000038069057 350301653 /nfs/dbraw/zinc/30/16/53/350301653.db2.gz PUFVDDZJJMVGTI-UHFFFAOYSA-N 0 0 245.134 3.699 10 0 BHAERN COc1cc(F)c(-c2cc(C)ccc2N)c(F)c1 ZINC000038069144 174990892 /nfs/dbraw/zinc/99/08/92/174990892.db2.gz IQOHJKWXYYZIOH-UHFFFAOYSA-N 0 0 249.260 3.531 10 0 BHAERN CC(C)(C)c1ccc(-c2cccc(N)n2)cc1 ZINC000038069230 188219310 /nfs/dbraw/zinc/21/93/10/188219310.db2.gz VTYWSIIXKDHEGM-UHFFFAOYSA-N 0 0 226.323 3.628 10 0 BHAERN CCCCc1ccc(-c2cccc(N)n2)cc1 ZINC000038069243 169018841 /nfs/dbraw/zinc/01/88/41/169018841.db2.gz AWHADHALYPCFRZ-UHFFFAOYSA-N 0 0 226.323 3.673 10 0 BHAERN Cc1ccc(-c2ccc(C)c(N)c2)c(C)c1 ZINC000038069255 178324776 /nfs/dbraw/zinc/32/47/76/178324776.db2.gz UWRIENPRTWEBLB-UHFFFAOYSA-N 0 0 211.308 3.861 10 0 BHAERN CC(C)Cc1ccc(-c2cccc(N)n2)cc1 ZINC000038069284 188116655 /nfs/dbraw/zinc/11/66/55/188116655.db2.gz HLWCAGYVKJXLIZ-UHFFFAOYSA-N 0 0 226.323 3.529 10 0 BHAERN Nc1ccccc1-c1ccc2c(c1)CCCC2 ZINC000038069294 181750370 /nfs/dbraw/zinc/75/03/70/181750370.db2.gz QVNAERYQQYKMAL-UHFFFAOYSA-N 0 0 223.319 3.815 10 0 BHAERN Nc1ccc(-c2ccc3c(c2)CCCC3)cc1F ZINC000038069296 181694353 /nfs/dbraw/zinc/69/43/53/181694353.db2.gz NLRIVPGNCZZEPY-UHFFFAOYSA-N 0 0 241.309 3.954 10 0 BHAERN Cc1ccc(-c2ccc(F)c(F)c2)cc1N ZINC000038069300 178323838 /nfs/dbraw/zinc/32/38/38/178323838.db2.gz XMPUIESEYFLVKL-UHFFFAOYSA-N 0 0 219.234 3.522 10 0 BHAERN COc1ccc(-c2ccc(C)c(N)c2)c(C)c1 ZINC000038069320 175033381 /nfs/dbraw/zinc/03/33/81/175033381.db2.gz NCPFCOWKVJXWCZ-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1ccc(-c2ccc(N)cc2C)c(C)c1 ZINC000038069326 175033812 /nfs/dbraw/zinc/03/38/12/175033812.db2.gz AYBXGCFMVZYKNL-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1ccc(-c2cc(C)ccc2N)c(C)c1 ZINC000038069327 175030650 /nfs/dbraw/zinc/03/06/50/175030650.db2.gz UNSUHSVXWBFKJL-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1ccc(-c2ccc(N)c(C)c2)c(C)c1 ZINC000038069328 175033625 /nfs/dbraw/zinc/03/36/25/175033625.db2.gz GSOMVYGEYWLZLJ-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN Cc1ccc(-c2c(F)cc(F)cc2F)cc1N ZINC000038069329 178317998 /nfs/dbraw/zinc/31/79/98/178317998.db2.gz WTZSXXMJUBMGKF-UHFFFAOYSA-N 0 0 237.224 3.662 10 0 BHAERN Cc1ccc(N)c(-c2c(F)cc(F)cc2F)c1 ZINC000038069338 178701248 /nfs/dbraw/zinc/70/12/48/178701248.db2.gz GIKQVDZBXWRPIV-UHFFFAOYSA-N 0 0 237.224 3.662 10 0 BHAERN CCc1ccc(-c2ccc(C)c(N)c2)cc1 ZINC000038069340 171777615 /nfs/dbraw/zinc/77/76/15/171777615.db2.gz VMSJMDWWENDXPT-UHFFFAOYSA-N 0 0 211.308 3.807 10 0 BHAERN Cc1ccc(-c2ccc(C)c(N)c2)cc1C ZINC000038069365 178324555 /nfs/dbraw/zinc/32/45/55/178324555.db2.gz IQXHVTCMSCXXCK-UHFFFAOYSA-N 0 0 211.308 3.861 10 0 BHAERN Cc1ccc(N)c(-c2ccc(C)c(C)c2)c1 ZINC000038069370 178702323 /nfs/dbraw/zinc/70/23/23/178702323.db2.gz SMMAAJYSNKCUCK-UHFFFAOYSA-N 0 0 211.308 3.861 10 0 BHAERN COc1ccc(-c2ccc(C)c(N)c2)cc1Cl ZINC000038069422 175032811 /nfs/dbraw/zinc/03/28/11/175032811.db2.gz KCAIZEWGBQAZRL-UHFFFAOYSA-N 0 0 247.725 3.906 10 0 BHAERN COc1ccc(-c2ccc(N)cc2C)cc1Cl ZINC000038069429 175033871 /nfs/dbraw/zinc/03/38/71/175033871.db2.gz POFGCNDIUPXYMU-UHFFFAOYSA-N 0 0 247.725 3.906 10 0 BHAERN COc1ccc(-c2cc(C)ccc2N)cc1Cl ZINC000038069430 175030501 /nfs/dbraw/zinc/03/05/01/175030501.db2.gz AJSQMQWCWIAXOW-UHFFFAOYSA-N 0 0 247.725 3.906 10 0 BHAERN COc1ccc(-c2ccc(N)c(C)c2)cc1Cl ZINC000038069431 175033702 /nfs/dbraw/zinc/03/37/02/175033702.db2.gz BKBNKZLORMNWIQ-UHFFFAOYSA-N 0 0 247.725 3.906 10 0 BHAERN Cc1ccc(-c2ccc3c(c2)CCC3)cc1N ZINC000038069432 178325648 /nfs/dbraw/zinc/32/56/48/178325648.db2.gz TYFQLVWUXHWFKQ-UHFFFAOYSA-N 0 0 223.319 3.733 10 0 BHAERN Cc1cc(-c2ccc3c(c2)CCC3)ccc1N ZINC000038069442 177684030 /nfs/dbraw/zinc/68/40/30/177684030.db2.gz FLASBBIYZRZHLY-UHFFFAOYSA-N 0 0 223.319 3.733 10 0 BHAERN CC(C)Oc1ccc(-c2cc(F)ccc2N)cc1 ZINC000038069455 167287546 /nfs/dbraw/zinc/28/75/46/167287546.db2.gz TVKGBHUBJRRJPF-UHFFFAOYSA-N 0 0 245.297 3.862 10 0 BHAERN CC(C)Oc1ccc(-c2ccccc2N)cc1 ZINC000038069457 167288017 /nfs/dbraw/zinc/28/80/17/167288017.db2.gz HKHWDDLGDHTWGN-UHFFFAOYSA-N 0 0 227.307 3.723 10 0 BHAERN Cc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1N ZINC000038069464 178325227 /nfs/dbraw/zinc/32/52/27/178325227.db2.gz FHCWLXZROILLGV-NSHDSACASA-N 0 0 239.318 3.568 10 0 BHAERN Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1N ZINC000038069465 178324916 /nfs/dbraw/zinc/32/49/16/178324916.db2.gz FHCWLXZROILLGV-LLVKDONJSA-N 0 0 239.318 3.568 10 0 BHAERN Cc1cc(N)ccc1-c1ccc2c(c1)C[C@H](C)O2 ZINC000038069480 188472426 /nfs/dbraw/zinc/47/24/26/188472426.db2.gz PMZDYPJZLTYMRU-NSHDSACASA-N 0 0 239.318 3.568 10 0 BHAERN Cc1cc(N)ccc1-c1ccc2c(c1)C[C@@H](C)O2 ZINC000038069481 712805220 /nfs/dbraw/zinc/80/52/20/712805220.db2.gz PMZDYPJZLTYMRU-LLVKDONJSA-N 0 0 239.318 3.568 10 0 BHAERN Cc1ccc(N)c(-c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000038069482 712805470 /nfs/dbraw/zinc/80/54/70/712805470.db2.gz BJOIVIUOOTZFDH-NSHDSACASA-N 0 0 239.318 3.568 10 0 BHAERN Cc1ccc(N)c(-c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000038069483 712805444 /nfs/dbraw/zinc/80/54/44/712805444.db2.gz BJOIVIUOOTZFDH-LLVKDONJSA-N 0 0 239.318 3.568 10 0 BHAERN Cc1cc(-c2ccc3c(c2)C[C@H](C)O3)ccc1N ZINC000038069484 712805262 /nfs/dbraw/zinc/80/52/62/712805262.db2.gz RPKUGEYBHRTENA-NSHDSACASA-N 0 0 239.318 3.568 10 0 BHAERN Cc1cc(-c2ccc3c(c2)C[C@@H](C)O3)ccc1N ZINC000038069485 712805153 /nfs/dbraw/zinc/80/51/53/712805153.db2.gz RPKUGEYBHRTENA-LLVKDONJSA-N 0 0 239.318 3.568 10 0 BHAERN COc1ccc(-c2ccc(C)c(N)c2)cc1C ZINC000038069486 175032832 /nfs/dbraw/zinc/03/28/32/175032832.db2.gz JVNOHPFBTSQBOG-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1ccc(-c2ccc(N)cc2C)cc1C ZINC000038069492 175033669 /nfs/dbraw/zinc/03/36/69/175033669.db2.gz JMJBHFWGAXCNRD-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1ccc(-c2cc(C)ccc2N)cc1C ZINC000038069493 175030533 /nfs/dbraw/zinc/03/05/33/175030533.db2.gz DIXTUBCWTWYMEE-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1ccc(-c2ccc(N)c(C)c2)cc1C ZINC000038069494 175033803 /nfs/dbraw/zinc/03/38/03/175033803.db2.gz FQUFSHJHJVLPRC-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN Cc1ccc(-c2ccc3c(c2)CCCO3)cc1N ZINC000038069522 178325271 /nfs/dbraw/zinc/32/52/71/178325271.db2.gz WGVCYTDHXALKGB-UHFFFAOYSA-N 0 0 239.318 3.569 10 0 BHAERN Cc1cc(N)ccc1-c1ccc2c(c1)CCCO2 ZINC000038069530 188116977 /nfs/dbraw/zinc/11/69/77/188116977.db2.gz GMRVQJXWUXCWBY-UHFFFAOYSA-N 0 0 239.318 3.569 10 0 BHAERN Cc1ccc(N)c(-c2ccc3c(c2)CCCO3)c1 ZINC000038069531 178702842 /nfs/dbraw/zinc/70/28/42/178702842.db2.gz PPIXDSMAJGPZIL-UHFFFAOYSA-N 0 0 239.318 3.569 10 0 BHAERN Cc1cc(-c2ccc3c(c2)CCCO3)ccc1N ZINC000038069532 490163353 /nfs/dbraw/zinc/16/33/53/490163353.db2.gz ZHKKILCSSKWHCD-UHFFFAOYSA-N 0 0 239.318 3.569 10 0 BHAERN Cc1cc(C)cc(-c2ccccc2C=O)c1 ZINC000038069549 712805302 /nfs/dbraw/zinc/80/53/02/712805302.db2.gz WDHIIRXXFSFFRS-UHFFFAOYSA-N 0 0 210.276 3.783 10 0 BHAERN Cc1cc(C)cc(-c2ccc(F)c(C=O)c2)c1 ZINC000038069550 177889906 /nfs/dbraw/zinc/88/99/06/177889906.db2.gz VUNOQTCHNUZNES-UHFFFAOYSA-N 0 0 228.266 3.922 10 0 BHAERN COc1ccc(-c2ccc(Cl)cc2)cc1C=O ZINC000038069563 175032917 /nfs/dbraw/zinc/03/29/17/175032917.db2.gz HZHQRGLFAWEEGU-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN CC(=O)c1cccc(-c2cc(F)cc(F)c2)c1 ZINC000038069600 166470078 /nfs/dbraw/zinc/47/00/78/166470078.db2.gz TVUGYEYKKWOCND-UHFFFAOYSA-N 0 0 232.229 3.834 10 0 BHAERN O=Cc1ccc(F)c(-c2cc(F)cc(F)c2)c1 ZINC000038069604 182868182 /nfs/dbraw/zinc/86/81/82/182868182.db2.gz YHQPLGBHWXZDPE-UHFFFAOYSA-N 0 0 236.192 3.583 10 0 BHAERN COc1ccc(-c2cc(C)ccc2F)cc1C=O ZINC000038069605 175030715 /nfs/dbraw/zinc/03/07/15/175030715.db2.gz JCDZTALVDPMBNF-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN CCOc1ccc(-c2ccc(C=O)c(F)c2)cc1 ZINC000038069620 582675247 /nfs/dbraw/zinc/67/52/47/582675247.db2.gz MMLDGKRTYCKBIQ-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN CCOc1ccc(-c2ccccc2C(C)=O)cc1 ZINC000038069621 170531976 /nfs/dbraw/zinc/53/19/76/170531976.db2.gz OCXLWDUWBLQPCA-UHFFFAOYSA-N 0 0 240.302 3.955 10 0 BHAERN CCOc1ccc(-c2ccc(F)c(C=O)c2)cc1 ZINC000038069622 170531122 /nfs/dbraw/zinc/53/11/22/170531122.db2.gz XJQXZHLNODUMCM-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN CCOc1ccc(-c2cc(C=O)ccc2F)cc1 ZINC000038069624 582675270 /nfs/dbraw/zinc/67/52/70/582675270.db2.gz WGOXGKJAVADITM-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN CCC(=O)c1cccc(-c2ccccc2OC)c1 ZINC000038069628 168257609 /nfs/dbraw/zinc/25/76/09/168257609.db2.gz PPCSDIVIQOHGTO-UHFFFAOYSA-N 0 0 240.302 3.955 10 0 BHAERN COc1ccc(-c2cc(F)ccc2C)cc1C=O ZINC000038069648 175031628 /nfs/dbraw/zinc/03/16/28/175031628.db2.gz ZSLPPEIMOHYLCJ-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN Cc1ccc(F)cc1-c1ccccc1C=O ZINC000038069657 712805329 /nfs/dbraw/zinc/80/53/29/712805329.db2.gz QFXPKRDHMFXYGC-UHFFFAOYSA-N 0 0 214.239 3.614 10 0 BHAERN CCC(=O)c1cccc(-c2ccc(OC)cc2)c1 ZINC000038069668 168257291 /nfs/dbraw/zinc/25/72/91/168257291.db2.gz NZRVWURGVLLZQU-UHFFFAOYSA-N 0 0 240.302 3.955 10 0 BHAERN COc1ccc(Cl)cc1-c1ccccc1C=O ZINC000038069675 175120026 /nfs/dbraw/zinc/12/00/26/175120026.db2.gz VZWXAAUHNBAVGU-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN COc1ccc(-c2ccc(F)cc2C)cc1C=O ZINC000038069693 175033795 /nfs/dbraw/zinc/03/37/95/175033795.db2.gz RRGQOTDUWFOSKU-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN Cc1cc(F)ccc1-c1ccc(C=O)c(F)c1 ZINC000038069697 178080641 /nfs/dbraw/zinc/08/06/41/178080641.db2.gz INTOIXBEBUTKEX-UHFFFAOYSA-N 0 0 232.229 3.753 10 0 BHAERN Cc1cc(F)ccc1-c1ccccc1C=O ZINC000038069700 343143419 /nfs/dbraw/zinc/14/34/19/343143419.db2.gz MBJRAGFWKFGUKL-UHFFFAOYSA-N 0 0 214.239 3.614 10 0 BHAERN Cc1cc(F)ccc1-c1ccc(F)c(C=O)c1 ZINC000038069701 178080379 /nfs/dbraw/zinc/08/03/79/178080379.db2.gz YUAJHPFOIQEJIG-UHFFFAOYSA-N 0 0 232.229 3.753 10 0 BHAERN Cc1cc(F)ccc1-c1cc(C=O)ccc1F ZINC000038069703 178080310 /nfs/dbraw/zinc/08/03/10/178080310.db2.gz UTQUCTNQXGKTKI-UHFFFAOYSA-N 0 0 232.229 3.753 10 0 BHAERN COc1ccc(-c2ccc(F)c(C)c2)cc1C=O ZINC000038069714 175033030 /nfs/dbraw/zinc/03/30/30/175033030.db2.gz UZNRZEODFHZCNF-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN Cc1cc(-c2ccc(C=O)c(F)c2)ccc1F ZINC000038069718 177681677 /nfs/dbraw/zinc/68/16/77/177681677.db2.gz SBTGBKNKQVGSSE-UHFFFAOYSA-N 0 0 232.229 3.753 10 0 BHAERN CCC(=O)c1cccc(-c2cccc(OC)c2)c1 ZINC000038069758 168257104 /nfs/dbraw/zinc/25/71/04/168257104.db2.gz QONVXQFIGDWVSI-UHFFFAOYSA-N 0 0 240.302 3.955 10 0 BHAERN Cc1cccc(-c2ccc(F)c(C=O)c2)c1 ZINC000038069761 524108901 /nfs/dbraw/zinc/10/89/01/524108901.db2.gz NDZIPMWFIOFGTL-UHFFFAOYSA-N 0 0 214.239 3.614 10 0 BHAERN Cc1ccc(C)c(-c2ccccc2C=O)c1 ZINC000038071678 712805278 /nfs/dbraw/zinc/80/52/78/712805278.db2.gz FFGSYTQJNZZWKL-UHFFFAOYSA-N 0 0 210.276 3.783 10 0 BHAERN CC(=O)c1ccccc1-c1ccc(F)cc1F ZINC000038071732 343143434 /nfs/dbraw/zinc/14/34/34/343143434.db2.gz LAQVGNXQADWSLQ-UHFFFAOYSA-N 0 0 232.229 3.834 10 0 BHAERN O=Cc1ccc(F)c(-c2ccc(F)cc2F)c1 ZINC000038071737 182867325 /nfs/dbraw/zinc/86/73/25/182867325.db2.gz NFGMUDQMKDCFFK-UHFFFAOYSA-N 0 0 236.192 3.583 10 0 BHAERN COc1ccc(-c2ccc(C=O)c(F)c2)c(C)c1 ZINC000038071785 175033198 /nfs/dbraw/zinc/03/31/98/175033198.db2.gz LBXKNBHKKOYTQG-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN COc1ccc(-c2ccccc2C(C)=O)c(C)c1 ZINC000038071786 175035117 /nfs/dbraw/zinc/03/51/17/175035117.db2.gz GKFMLXDJZUWRCT-UHFFFAOYSA-N 0 0 240.302 3.873 10 0 BHAERN COc1ccc(-c2ccc(F)c(C=O)c2)c(C)c1 ZINC000038071788 175033079 /nfs/dbraw/zinc/03/30/79/175033079.db2.gz MIPAFBSVNIHXTN-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN COc1ccc(-c2cc(C=O)ccc2F)c(C)c1 ZINC000038071790 175030710 /nfs/dbraw/zinc/03/07/10/175030710.db2.gz DZYODCKFSUIODM-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN Cc1ccc(-c2cc(C=O)ccc2F)cc1C ZINC000038071835 178319824 /nfs/dbraw/zinc/31/98/24/178319824.db2.gz TZNXFZYSTXCXKN-UHFFFAOYSA-N 0 0 228.266 3.922 10 0 BHAERN COc1ccc(-c2ccccc2C=O)cc1Cl ZINC000038071882 175035297 /nfs/dbraw/zinc/03/52/97/175035297.db2.gz YKWUJKILLBFSBT-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN O=Cc1ccc(-c2ccc3c(c2)CCC3)cc1 ZINC000038071889 712805538 /nfs/dbraw/zinc/80/55/38/712805538.db2.gz OVQVVCNLMCSCLP-UHFFFAOYSA-N 0 0 222.287 3.655 10 0 BHAERN O=Cc1cccc(-c2ccc3c(c2)CCC3)c1 ZINC000038071892 712805472 /nfs/dbraw/zinc/80/54/72/712805472.db2.gz DLNZLAMXUITAHO-UHFFFAOYSA-N 0 0 222.287 3.655 10 0 BHAERN O=Cc1ccccc1-c1ccc2c(c1)CCC2 ZINC000038071894 182872777 /nfs/dbraw/zinc/87/27/77/182872777.db2.gz GSWFYPZCHUMHAM-UHFFFAOYSA-N 0 0 222.287 3.655 10 0 BHAERN O=Cc1cc(-c2ccc3c(c2)CCC3)ccc1F ZINC000038071895 182861309 /nfs/dbraw/zinc/86/13/09/182861309.db2.gz NRINRUUVDGJMCC-UHFFFAOYSA-N 0 0 240.277 3.794 10 0 BHAERN COc1ccc(F)cc1-c1ccc(C(C)=O)cc1 ZINC000038071899 175127397 /nfs/dbraw/zinc/12/73/97/175127397.db2.gz OUXSZUPTDKZSAZ-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN COc1ccc(F)cc1-c1ccccc1C(C)=O ZINC000038071903 175127500 /nfs/dbraw/zinc/12/75/00/175127500.db2.gz UQCUAJALUAQYRY-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN COc1ccc(F)cc1-c1cccc(C(C)=O)c1 ZINC000038071905 175127524 /nfs/dbraw/zinc/12/75/24/175127524.db2.gz LKVNLTGLHFUZMF-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN CC(C)Oc1ccc(-c2ccccc2C=O)cc1 ZINC000038071913 167288681 /nfs/dbraw/zinc/28/86/81/167288681.db2.gz REFWSIDCIRVLDC-UHFFFAOYSA-N 0 0 240.302 3.953 10 0 BHAERN COc1ccc(-c2ccc(C=O)c(F)c2)cc1C ZINC000038071943 175033324 /nfs/dbraw/zinc/03/33/24/175033324.db2.gz IPQZBKIZWGUOQA-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN COc1ccc(-c2ccccc2C(C)=O)cc1C ZINC000038071944 175035406 /nfs/dbraw/zinc/03/54/06/175035406.db2.gz YMSUFUWQGXTTKG-UHFFFAOYSA-N 0 0 240.302 3.873 10 0 BHAERN COc1ccc(-c2ccc(F)c(C=O)c2)cc1C ZINC000038071946 175033223 /nfs/dbraw/zinc/03/32/23/175033223.db2.gz MZYFYSFVFFFVAI-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN COc1ccc(-c2cc(C=O)ccc2F)cc1C ZINC000038071948 175030688 /nfs/dbraw/zinc/03/06/88/175030688.db2.gz ZQVZUMJGUUPLPL-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN COc1ccc(-c2ccccc2C(C)=O)cc1F ZINC000038071953 175035152 /nfs/dbraw/zinc/03/51/52/175035152.db2.gz SHNQLBZPGLLPNN-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN COc1ccc(-c2ccc(C(C)=O)cc2)c(F)c1 ZINC000038071961 175032793 /nfs/dbraw/zinc/03/27/93/175032793.db2.gz KOOUDGUTKQGRBK-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN COc1ccc(-c2ccccc2C(C)=O)c(F)c1 ZINC000038071965 175035391 /nfs/dbraw/zinc/03/53/91/175035391.db2.gz NAUIFQZCBILSGK-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN COc1ccc(-c2cccc(C(C)=O)c2)c(F)c1 ZINC000038071967 175034267 /nfs/dbraw/zinc/03/42/67/175034267.db2.gz FFLBKIYUBXUDOH-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN Cc1cc(Oc2nc3ccccc3o2)ccc1N ZINC000038074666 178215878 /nfs/dbraw/zinc/21/58/78/178215878.db2.gz RCULLSCJIAQDGL-UHFFFAOYSA-N 0 0 240.262 3.511 10 0 BHAERN Cc1c(N)cccc1Oc1nc2ccccc2o1 ZINC000038074674 177615179 /nfs/dbraw/zinc/61/51/79/177615179.db2.gz MINKMMSOGHARNI-UHFFFAOYSA-N 0 0 240.262 3.511 10 0 BHAERN Cc1cc(C)cc(COc2ccc(N)c(C)c2)c1 ZINC000038076641 177902088 /nfs/dbraw/zinc/90/20/88/177902088.db2.gz QRHBXAJMQPYXMX-UHFFFAOYSA-N 0 0 241.334 3.773 10 0 BHAERN Cc1cc(C)cc(COc2cc(F)ccc2N)c1 ZINC000038076642 177901363 /nfs/dbraw/zinc/90/13/63/177901363.db2.gz HDBWLLBWVSBCIP-UHFFFAOYSA-N 0 0 245.297 3.604 10 0 BHAERN Cc1cc(C)cc(COc2cccc(O)c2C)c1 ZINC000038076922 177902554 /nfs/dbraw/zinc/90/25/54/177902554.db2.gz HIRUCAJHBWGNCJ-UHFFFAOYSA-N 0 0 242.318 3.896 10 0 BHAERN Cc1cc(C)cc(COc2ccc(O)cc2)c1 ZINC000038076923 177901809 /nfs/dbraw/zinc/90/18/09/177901809.db2.gz YNYBHRPLZHQJTO-UHFFFAOYSA-N 0 0 228.291 3.588 10 0 BHAERN Cc1cc(C)cc(C[C@]2(O)CCC[C@H](C)C2)c1 ZINC000038077040 177903071 /nfs/dbraw/zinc/90/30/71/177903071.db2.gz LNZQCVQHQYXKGS-LRDDRELGSA-N 0 0 232.367 3.787 10 0 BHAERN Cc1cc(C)cc(C[C@]2(O)CCCC[C@@H]2C)c1 ZINC000038077045 177903845 /nfs/dbraw/zinc/90/38/45/177903845.db2.gz MTCIVJKCOMIBOO-GOEBONIOSA-N 0 0 232.367 3.787 10 0 BHAERN Cc1cc(C)cc(C[C@@]2(O)CCCC[C@@H]2C)c1 ZINC000038077046 187262483 /nfs/dbraw/zinc/26/24/83/187262483.db2.gz MTCIVJKCOMIBOO-HOCLYGCPSA-N 0 0 232.367 3.787 10 0 BHAERN Cc1cc(C)cc(C[C@]2(O)CCCC[C@H]2C)c1 ZINC000038077047 177903194 /nfs/dbraw/zinc/90/31/94/177903194.db2.gz MTCIVJKCOMIBOO-GDBMZVCRSA-N 0 0 232.367 3.787 10 0 BHAERN Cc1cc(C)cc(C[C@](C)(O)c2ccccc2)c1 ZINC000038077056 177903358 /nfs/dbraw/zinc/90/33/58/177903358.db2.gz QYBKZYFGUUSXJH-KRWDZBQOSA-N 0 0 240.346 3.754 10 0 BHAERN Cc1cc(C)cc(CC(=O)C2CCCCC2)c1 ZINC000038077181 177895810 /nfs/dbraw/zinc/89/58/10/177895810.db2.gz CMYYPIWZLJNDRW-UHFFFAOYSA-N 0 0 230.351 3.995 10 0 BHAERN Cc1ccc(-c2ccccc2Cl)cc1N ZINC000038078181 178326368 /nfs/dbraw/zinc/32/63/68/178326368.db2.gz XUGQUUMJCSROSQ-UHFFFAOYSA-N 0 0 217.699 3.898 10 0 BHAERN COc1ccc(-c2ccccc2Cl)cc1C=O ZINC000038078184 175035342 /nfs/dbraw/zinc/03/53/42/175035342.db2.gz YHPSDMHHPLQAHK-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN O[C@]1(c2ccccc2Cl)CCc2ccccc21 ZINC000038078272 183253505 /nfs/dbraw/zinc/25/35/05/183253505.db2.gz CRZPUKDDTLMDPX-OAHLLOKOSA-N 0 0 244.721 3.522 10 0 BHAERN O[C@@]1(c2ccccc2Cl)CCc2ccccc21 ZINC000038078273 183217454 /nfs/dbraw/zinc/21/74/54/183217454.db2.gz CRZPUKDDTLMDPX-HNNXBMFYSA-N 0 0 244.721 3.522 10 0 BHAERN CC[C@@H](C)[C@](C)(O)c1ccccc1Cl ZINC000038078297 350304778 /nfs/dbraw/zinc/30/47/78/350304778.db2.gz DLPNYTMQVVSGSY-SKDRFNHKSA-N 0 0 212.720 3.594 10 0 BHAERN CC[C@H](C)[C@](C)(O)c1ccccc1Cl ZINC000038078298 350305073 /nfs/dbraw/zinc/30/50/73/350305073.db2.gz DLPNYTMQVVSGSY-CABZTGNLSA-N 0 0 212.720 3.594 10 0 BHAERN CC[C@@H](C)[C@@](C)(O)c1ccccc1Cl ZINC000038078299 350304775 /nfs/dbraw/zinc/30/47/75/350304775.db2.gz DLPNYTMQVVSGSY-BXKDBHETSA-N 0 0 212.720 3.594 10 0 BHAERN CC[C@H](C)[C@@](C)(O)c1ccccc1Cl ZINC000038078300 350305169 /nfs/dbraw/zinc/30/51/69/350305169.db2.gz DLPNYTMQVVSGSY-JOYOIKCWSA-N 0 0 212.720 3.594 10 0 BHAERN CC[C@@](O)(c1ccccc1Cl)C(C)C ZINC000038078301 350305077 /nfs/dbraw/zinc/30/50/77/350305077.db2.gz OLNVNUYJCNJSAK-LBPRGKRZSA-N 0 0 212.720 3.594 10 0 BHAERN CC[C@](O)(c1ccccc1Cl)C(C)C ZINC000038078302 350304708 /nfs/dbraw/zinc/30/47/08/350304708.db2.gz OLNVNUYJCNJSAK-GFCCVEGCSA-N 0 0 212.720 3.594 10 0 BHAERN O[C@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000038078385 183228775 /nfs/dbraw/zinc/22/87/75/183228775.db2.gz IPOYRJQMTIJGCK-CYBMUJFWSA-N 0 0 236.673 3.561 10 0 BHAERN O[C@@H](c1ccc(F)cc1)c1ccccc1Cl ZINC000038078386 183184663 /nfs/dbraw/zinc/18/46/63/183184663.db2.gz IPOYRJQMTIJGCK-ZDUSSCGKSA-N 0 0 236.673 3.561 10 0 BHAERN CCc1ccc([C@H](O)c2ccccc2Cl)cc1 ZINC000038078407 397974404 /nfs/dbraw/zinc/97/44/04/397974404.db2.gz DHLCYMDPGWAHKI-HNNXBMFYSA-N 0 0 246.737 3.984 10 0 BHAERN CCc1ccc([C@@H](O)c2ccccc2Cl)cc1 ZINC000038078408 171835622 /nfs/dbraw/zinc/83/56/22/171835622.db2.gz DHLCYMDPGWAHKI-OAHLLOKOSA-N 0 0 246.737 3.984 10 0 BHAERN Cc1cccc([C@H](O)c2ccccc2Cl)c1 ZINC000038078423 179203268 /nfs/dbraw/zinc/20/32/68/179203268.db2.gz WVVCPYYCHLXGDI-AWEZNQCLSA-N 0 0 232.710 3.730 10 0 BHAERN Cc1cccc([C@@H](O)c2ccccc2Cl)c1 ZINC000038078424 179188689 /nfs/dbraw/zinc/18/86/89/179188689.db2.gz WVVCPYYCHLXGDI-CQSZACIVSA-N 0 0 232.710 3.730 10 0 BHAERN Oc1ccc(SCc2ccsc2)cc1 ZINC000038079148 350305464 /nfs/dbraw/zinc/30/54/64/350305464.db2.gz OEWFMQBEZJYEJW-UHFFFAOYSA-N 0 0 222.334 3.746 10 0 BHAERN CC(C)(C)C(=O)Cc1c(F)cccc1Cl ZINC000038125254 350307989 /nfs/dbraw/zinc/30/79/89/350307989.db2.gz BJNNWWFBXSILLK-UHFFFAOYSA-N 0 0 228.694 3.637 10 0 BHAERN O=C(Cc1cccc2ccccc21)c1ccco1 ZINC000038125275 182042953 /nfs/dbraw/zinc/04/29/53/182042953.db2.gz VEZWDKMQJVMFHD-UHFFFAOYSA-N 0 0 236.270 3.858 10 0 BHAERN CCCC(=O)Cc1ccc2ccccc2c1 ZINC000038125433 350307959 /nfs/dbraw/zinc/30/79/59/350307959.db2.gz GQSQSZNTVKMTCE-UHFFFAOYSA-N 0 0 212.292 3.752 10 0 BHAERN O=C(Cc1ccccc1Cl)c1ccccc1F ZINC000038125474 182045209 /nfs/dbraw/zinc/04/52/09/182045209.db2.gz FRBAYMMDHXTIER-UHFFFAOYSA-N 0 0 248.684 3.905 10 0 BHAERN Cc1ccsc1C(=O)Cc1ccsc1 ZINC000038125527 350308020 /nfs/dbraw/zinc/30/80/20/350308020.db2.gz XTNSGELVNXUJRD-UHFFFAOYSA-N 0 0 222.334 3.543 10 0 BHAERN O=C(Cc1ccsc1)c1ccccc1Cl ZINC000038125561 350307840 /nfs/dbraw/zinc/30/78/40/350307840.db2.gz CRWKUKDYUOKGLQ-UHFFFAOYSA-N 0 0 236.723 3.827 10 0 BHAERN O=C(Cc1ccsc1)c1cccc(Cl)c1 ZINC000038125568 350307890 /nfs/dbraw/zinc/30/78/90/350307890.db2.gz KAMIJLWZWHGFBA-UHFFFAOYSA-N 0 0 236.723 3.827 10 0 BHAERN CCCC(=O)Cc1cccc2ccccc21 ZINC000038125819 350308027 /nfs/dbraw/zinc/30/80/27/350308027.db2.gz HRKGXSSNSJAHNQ-UHFFFAOYSA-N 0 0 212.292 3.752 10 0 BHAERN Cc1ccc(C(=O)Cc2cccs2)cc1F ZINC000038125998 350307936 /nfs/dbraw/zinc/30/79/36/350307936.db2.gz RFFWCFWDYOGKIM-UHFFFAOYSA-N 0 0 234.295 3.621 10 0 BHAERN Cc1cccc(C(=O)Cc2cccs2)c1C ZINC000038126004 350307973 /nfs/dbraw/zinc/30/79/73/350307973.db2.gz LXOXFHUQZWLJRC-UHFFFAOYSA-N 0 0 230.332 3.790 10 0 BHAERN Cc1ccsc1C(=O)Cc1cccs1 ZINC000038126006 350308036 /nfs/dbraw/zinc/30/80/36/350308036.db2.gz IKADBGQWZAAWSI-UHFFFAOYSA-N 0 0 222.334 3.543 10 0 BHAERN Cc1ccc(C(=O)Cc2cccs2)cc1C ZINC000038126016 350307750 /nfs/dbraw/zinc/30/77/50/350307750.db2.gz MRCPFAZXRYNXSV-UHFFFAOYSA-N 0 0 230.332 3.790 10 0 BHAERN CCOc1ccc(C(=O)Cc2cccs2)cc1 ZINC000038126021 350307979 /nfs/dbraw/zinc/30/79/79/350307979.db2.gz YLSPVQYWXVDAJO-UHFFFAOYSA-N 0 0 246.331 3.572 10 0 BHAERN Cc1ccc(C)c(C(=O)Cc2cccs2)c1 ZINC000038126031 350307859 /nfs/dbraw/zinc/30/78/59/350307859.db2.gz XZYUHGBMEIEEKT-UHFFFAOYSA-N 0 0 230.332 3.790 10 0 BHAERN Cc1ccc(C(=O)Cc2cccs2)s1 ZINC000038126033 343371547 /nfs/dbraw/zinc/37/15/47/343371547.db2.gz KBYFKUOQFNMPAF-UHFFFAOYSA-N 0 0 222.334 3.543 10 0 BHAERN CCc1ccc(C(=O)Cc2cccs2)cc1 ZINC000038126035 350307738 /nfs/dbraw/zinc/30/77/38/350307738.db2.gz MJIGUXMWCMMTEF-UHFFFAOYSA-N 0 0 230.332 3.736 10 0 BHAERN O=C(Cc1cccs1)c1ccccc1Cl ZINC000038126039 350307799 /nfs/dbraw/zinc/30/77/99/350307799.db2.gz BCNJPJBGWJWOEO-UHFFFAOYSA-N 0 0 236.723 3.827 10 0 BHAERN O=C(Cc1cccs1)c1cccc(Cl)c1 ZINC000038126044 350307908 /nfs/dbraw/zinc/30/79/08/350307908.db2.gz ZVKILQBDULRSMS-UHFFFAOYSA-N 0 0 236.723 3.827 10 0 BHAERN Cc1cc(C)cc(C(=O)Cc2cccs2)c1 ZINC000038126057 350307946 /nfs/dbraw/zinc/30/79/46/350307946.db2.gz CSNANZKBDWEDDR-UHFFFAOYSA-N 0 0 230.332 3.790 10 0 BHAERN Cc1ccc(C(=O)Cc2cccs2)c(C)c1 ZINC000038126060 350307976 /nfs/dbraw/zinc/30/79/76/350307976.db2.gz PKYBMAZOFYKMGL-UHFFFAOYSA-N 0 0 230.332 3.790 10 0 BHAERN Cc1cccc(C(=O)Cc2ccc(F)cc2)c1C ZINC000038126335 179004668 /nfs/dbraw/zinc/00/46/68/179004668.db2.gz RKQZQMMQWPAITK-UHFFFAOYSA-N 0 0 242.293 3.868 10 0 BHAERN Cc1cccc(C(=O)Cc2cccc(F)c2)c1C ZINC000038126685 179003926 /nfs/dbraw/zinc/00/39/26/179003926.db2.gz OBJCRDFWBCHXBM-UHFFFAOYSA-N 0 0 242.293 3.868 10 0 BHAERN Cc1ccccc1CC(=O)c1cc(F)cc(F)c1 ZINC000038126867 179260484 /nfs/dbraw/zinc/26/04/84/179260484.db2.gz CAUFZBLIDNREKT-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN Cc1ccc(CC(=O)c2cc(F)cc(F)c2)cc1 ZINC000038126949 178523743 /nfs/dbraw/zinc/52/37/43/178523743.db2.gz GBTKUPCTTGUMBO-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN O=C(Cc1ccccc1)c1ccc(F)cc1Cl ZINC000038127012 350308017 /nfs/dbraw/zinc/30/80/17/350308017.db2.gz DSCUTSGJLKTNIW-UHFFFAOYSA-N 0 0 248.684 3.905 10 0 BHAERN O=C(Cc1ccccc1)c1ccc(Cl)cc1F ZINC000038127029 350307884 /nfs/dbraw/zinc/30/78/84/350307884.db2.gz OUBOGABTMAZNGL-UHFFFAOYSA-N 0 0 248.684 3.905 10 0 BHAERN O=C(CC1CCCC1)c1ccc(F)cc1 ZINC000038137677 350308377 /nfs/dbraw/zinc/30/83/77/350308377.db2.gz ATUONFGWSDTDAJ-UHFFFAOYSA-N 0 0 206.260 3.589 10 0 BHAERN Cc1ccc(C(=O)CC2CCCC2)s1 ZINC000038137693 350308509 /nfs/dbraw/zinc/30/85/09/350308509.db2.gz XOXBAKWIKYTKFJ-UHFFFAOYSA-N 0 0 208.326 3.820 10 0 BHAERN Cc1ccc(C(=O)CC2CCCC2)cc1 ZINC000038137694 358118254 /nfs/dbraw/zinc/11/82/54/358118254.db2.gz FGKVEYWHOUJGQO-UHFFFAOYSA-N 0 0 202.297 3.758 10 0 BHAERN C[C@H]1CC(C)(C)O[C@H](/C=C/c2ccccc2)O1 ZINC000038182761 187244065 /nfs/dbraw/zinc/24/40/65/187244065.db2.gz LPBKYTJEMIWKKD-JMRXXTBOSA-N 0 0 232.323 3.630 10 0 BHAERN CCCC/C(=C\C(=O)OCC)c1ccccc1 ZINC000038204392 358130872 /nfs/dbraw/zinc/13/08/72/358130872.db2.gz YNPRWNBUAVKRDJ-WYMLVPIESA-N 0 0 232.323 3.823 10 0 BHAERN CCC[C@@H]1CCc2cc(O)c(F)c(F)c2C1 ZINC000038212892 368325545 /nfs/dbraw/zinc/32/55/45/368325545.db2.gz YMLKTOAEXAVADH-MRVPVSSYSA-N 0 0 226.266 3.575 10 0 BHAERN CCC[C@H]1CCc2cc(O)c(F)c(F)c2C1 ZINC000038212893 368325742 /nfs/dbraw/zinc/32/57/42/368325742.db2.gz YMLKTOAEXAVADH-QMMMGPOBSA-N 0 0 226.266 3.575 10 0 BHAERN CCCCC(=O)CCCc1ccccc1 ZINC000038221093 364718784 /nfs/dbraw/zinc/71/87/84/364718784.db2.gz YIYCWJWUZUBPLY-UHFFFAOYSA-N 0 0 204.313 3.769 10 0 BHAERN c1nc(Cc2ccccc2)oc1-c1ccccc1 ZINC000038221797 384077289 /nfs/dbraw/zinc/07/72/89/384077289.db2.gz YJFRCEFTPOOWFT-UHFFFAOYSA-N 0 0 235.286 3.932 10 0 BHAERN CCN(CC)P(N(CC)CC)C(F)(F)F ZINC000038222017 347159944 /nfs/dbraw/zinc/15/99/44/347159944.db2.gz PKXSIJLGPOBCOC-UHFFFAOYSA-N 0 0 244.241 3.502 10 0 BHAERN COc1c(C=O)cccc1-c1ccc(Cl)cc1 ZINC000038222088 347160410 /nfs/dbraw/zinc/16/04/10/347160410.db2.gz RWHZQMRUKDMAPQ-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN CSC(=O)SC/C=C/c1ccccc1 ZINC000038236507 368323802 /nfs/dbraw/zinc/32/38/02/368323802.db2.gz AYFMIASKNYPHTN-VMPITWQZSA-N 0 0 224.350 3.916 10 0 BHAERN C=C(c1ccccc1)c1ccccc1NC ZINC000038252061 384077275 /nfs/dbraw/zinc/07/72/75/384077275.db2.gz NLMRMBVFGXQXOC-UHFFFAOYSA-N 0 0 209.292 3.790 10 0 BHAERN C=C(c1ccccc1)c1cc(Cl)ccc1N ZINC000038254594 343373436 /nfs/dbraw/zinc/37/34/36/343373436.db2.gz OSYKQMXKERGYJM-UHFFFAOYSA-N 0 0 229.710 3.984 10 0 BHAERN CCc1cc2sc3ccccc3c(=O)c2o1 ZINC000038254613 343373298 /nfs/dbraw/zinc/37/32/98/343373298.db2.gz ZKRDHTDXLHLZRA-UHFFFAOYSA-N 0 0 230.288 3.570 10 0 BHAERN Cc1c[nH]c2c1C(=O)C[C@H](c1ccccc1C)C2 ZINC000038255161 368325468 /nfs/dbraw/zinc/32/54/68/368325468.db2.gz FAIRMUIQMDANNO-GFCCVEGCSA-N 0 0 239.318 3.544 10 0 BHAERN Cc1c[nH]c2c1C(=O)C[C@@H](c1ccccc1C)C2 ZINC000038255164 368325248 /nfs/dbraw/zinc/32/52/48/368325248.db2.gz FAIRMUIQMDANNO-LBPRGKRZSA-N 0 0 239.318 3.544 10 0 BHAERN O=C1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000038258799 343373237 /nfs/dbraw/zinc/37/32/37/343373237.db2.gz GOIKJBFDOSEDRS-JTQLQIEISA-N 0 0 208.688 3.567 10 0 BHAERN CCOc1cc2c(cc1C)C=CC=CC2 ZINC000038271610 343373184 /nfs/dbraw/zinc/37/31/84/343373184.db2.gz QSVQETZBLNPGDK-UHFFFAOYSA-N 0 0 200.281 3.519 10 0 BHAERN CCC[C@H](Sc1ccccc1)C(C)=O ZINC000038271800 368325160 /nfs/dbraw/zinc/32/51/60/368325160.db2.gz KSHOMMWJGYYIPD-LBPRGKRZSA-N 0 0 208.326 3.536 10 0 BHAERN CCC[C@@H](Sc1ccccc1)C(C)=O ZINC000038271801 368325211 /nfs/dbraw/zinc/32/52/11/368325211.db2.gz KSHOMMWJGYYIPD-GFCCVEGCSA-N 0 0 208.326 3.536 10 0 BHAERN O=C1CCC[C@@H](CSc2ccccc2)C1 ZINC000038272065 372530244 /nfs/dbraw/zinc/53/02/44/372530244.db2.gz UZCZRMIOCGGLOU-LLVKDONJSA-N 0 0 220.337 3.538 10 0 BHAERN O=C1CCC[C@H](CSc2ccccc2)C1 ZINC000038272066 372530433 /nfs/dbraw/zinc/53/04/33/372530433.db2.gz UZCZRMIOCGGLOU-NSHDSACASA-N 0 0 220.337 3.538 10 0 BHAERN CC1=C[P@](=O)(c2ccc(Cl)cc2)CC1 ZINC000038272247 168132739 /nfs/dbraw/zinc/13/27/39/168132739.db2.gz NKOUQQBAAREAGK-AWEZNQCLSA-N 0 0 226.643 3.636 10 0 BHAERN CC1=C[P@@](=O)(c2ccc(Cl)cc2)CC1 ZINC000038272248 168131843 /nfs/dbraw/zinc/13/18/43/168131843.db2.gz NKOUQQBAAREAGK-CQSZACIVSA-N 0 0 226.643 3.636 10 0 BHAERN Nc1ccc(O)c(/C=C/CCc2ccccc2)c1 ZINC000038272630 368325735 /nfs/dbraw/zinc/32/57/35/368325735.db2.gz CTRGOZDGSLLWJV-WEVVVXLNSA-N 0 0 239.318 3.620 10 0 BHAERN c1cn2c(n1)-c1ccccc1-c1ccccc1-2 ZINC000038276575 384081483 /nfs/dbraw/zinc/08/14/83/384081483.db2.gz SHWNDUJCIYUZRF-UHFFFAOYSA-N 0 0 218.259 3.520 10 0 BHAERN Cc1c(C)n(CC(C)C)c2c1ccnc2Cl ZINC000038276697 343373197 /nfs/dbraw/zinc/37/31/97/343373197.db2.gz HDJCUHMWBVJOGO-UHFFFAOYSA-N 0 0 236.746 3.963 10 0 BHAERN CC(=O)c1cc(C)cc(-c2ccccc2)c1O ZINC000038284252 358144345 /nfs/dbraw/zinc/14/43/45/358144345.db2.gz CONVCZDRBVLACB-UHFFFAOYSA-N 0 0 226.275 3.570 10 0 BHAERN CC(=O)c1cc(Cl)c(Cl)cc1C ZINC000038293208 166444720 /nfs/dbraw/zinc/44/47/20/166444720.db2.gz FMZAFADAMWMBDN-UHFFFAOYSA-N 0 0 203.068 3.504 10 0 BHAERN COC(=O)c1ccc2cccc(C(C)C)cc1-2 ZINC000038293893 368325298 /nfs/dbraw/zinc/32/52/98/368325298.db2.gz LGGPQDLTCFEHMT-UHFFFAOYSA-N 0 0 228.291 3.701 10 0 BHAERN CC(C)Cc1ccc([C@@H](C)C(=O)OC(C)C)cc1 ZINC000038294404 387460262 /nfs/dbraw/zinc/46/02/62/387460262.db2.gz RVZWLHIFEPTVBC-CYBMUJFWSA-N 0 0 248.366 3.940 10 0 BHAERN CC(C)Cc1ccc([C@H](C)C(=O)OC(C)C)cc1 ZINC000038294405 322981439 /nfs/dbraw/zinc/98/14/39/322981439.db2.gz RVZWLHIFEPTVBC-ZDUSSCGKSA-N 0 0 248.366 3.940 10 0 BHAERN CCc1cccc2ccn(C(=O)OC(C)(C)C)c21 ZINC000038302824 384080505 /nfs/dbraw/zinc/08/05/05/384080505.db2.gz TUGNIKPUTPELOF-UHFFFAOYSA-N 0 0 245.322 3.987 10 0 BHAERN Oc1ccc(/C=C/c2ccccc2F)cc1 ZINC000038313125 368325068 /nfs/dbraw/zinc/32/50/68/368325068.db2.gz LNMFLNRHGFOMBQ-VMPITWQZSA-N 0 0 214.239 3.702 10 0 BHAERN Oc1ccc(/C=C/c2ccc(F)c(F)c2)cc1 ZINC000038313504 368325093 /nfs/dbraw/zinc/32/50/93/368325093.db2.gz SSLYOHOBEIEUNL-OWOJBTEDSA-N 0 0 232.229 3.841 10 0 BHAERN O=C1CCC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000038313740 364453735 /nfs/dbraw/zinc/45/37/35/364453735.db2.gz PXEDGGLZDRNQLK-SNVBAGLBSA-N 0 0 242.240 3.932 10 0 BHAERN O=C1CCC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000038313741 364453707 /nfs/dbraw/zinc/45/37/07/364453707.db2.gz PXEDGGLZDRNQLK-JTQLQIEISA-N 0 0 242.240 3.932 10 0 BHAERN Cc1ccc(/C=C2\c3ccccc3NC2=O)c(C)c1 ZINC000038313891 398111021 /nfs/dbraw/zinc/11/10/21/398111021.db2.gz UAFAEYDROQICIS-XNTDXEJSSA-N 0 0 249.313 3.796 10 0 BHAERN Clc1nc2ccccc2c2occc21 ZINC000038325338 388403556 /nfs/dbraw/zinc/40/35/56/388403556.db2.gz VZKATVWAQFVLLM-UHFFFAOYSA-N 0 0 203.628 3.634 10 0 BHAERN COc1ccc2c(c1)[nH]c1cc(OC)c(C)cc12 ZINC000038327792 175217912 /nfs/dbraw/zinc/21/79/12/175217912.db2.gz RKKUHIFZWJDYRV-UHFFFAOYSA-N 0 0 241.290 3.647 10 0 BHAERN COc1ccc(C(=O)[C@@H](C)c2ccccc2)cc1 ZINC000038339831 358147164 /nfs/dbraw/zinc/14/71/64/358147164.db2.gz CNKWMZSMRRWDGN-LBPRGKRZSA-N 0 0 240.302 3.682 10 0 BHAERN COc1ccc(C(=O)[C@H](C)c2ccccc2)cc1 ZINC000038339832 358147297 /nfs/dbraw/zinc/14/72/97/358147297.db2.gz CNKWMZSMRRWDGN-GFCCVEGCSA-N 0 0 240.302 3.682 10 0 BHAERN O=C1CCC[C@@H](SC2CCCCC2)C1 ZINC000038363784 372564945 /nfs/dbraw/zinc/56/49/45/372564945.db2.gz GUUQYHSGBQYBER-GFCCVEGCSA-N 0 0 212.358 3.564 10 0 BHAERN O=C1CCC[C@H](SC2CCCCC2)C1 ZINC000038363785 372564710 /nfs/dbraw/zinc/56/47/10/372564710.db2.gz GUUQYHSGBQYBER-LBPRGKRZSA-N 0 0 212.358 3.564 10 0 BHAERN OCCCCCCCCCCc1cccnc1 ZINC000038364154 368326864 /nfs/dbraw/zinc/32/68/64/368326864.db2.gz VUYVONNZHRCNPD-UHFFFAOYSA-N 0 0 235.371 3.737 10 0 BHAERN Nc1ccc(Cl)cc1NCC1CCCCC1 ZINC000038364231 358147906 /nfs/dbraw/zinc/14/79/06/358147906.db2.gz XXFZDUZSCZDHRW-UHFFFAOYSA-N 0 0 238.762 3.914 10 0 BHAERN Cc1c(Cl)nc(C2CCCC2)nc1Cl ZINC000038387015 343374722 /nfs/dbraw/zinc/37/47/22/343374722.db2.gz JHMLRSOTHZESPY-UHFFFAOYSA-N 0 0 231.126 3.749 10 0 BHAERN Oc1ccc(C2CCCCCC2)c(O)c1 ZINC000038409906 368245014 /nfs/dbraw/zinc/24/50/14/368245014.db2.gz ODCAWUSPKFJJPH-UHFFFAOYSA-N 0 0 206.285 3.536 10 0 BHAERN CCC[C@H](O)c1ccccc1C(F)(F)F ZINC000038409931 368244890 /nfs/dbraw/zinc/24/48/90/368244890.db2.gz HXGYNNPIZFIFBJ-JTQLQIEISA-N 0 0 218.218 3.539 10 0 BHAERN CCC[C@@H](O)c1ccccc1C(F)(F)F ZINC000038409932 388582466 /nfs/dbraw/zinc/58/24/66/388582466.db2.gz HXGYNNPIZFIFBJ-SNVBAGLBSA-N 0 0 218.218 3.539 10 0 BHAERN Oc1c[nH]c2c1c(Cl)cc(Cl)c2Cl ZINC000038409987 183255816 /nfs/dbraw/zinc/25/58/16/183255816.db2.gz AZHVDKFCICWCSO-UHFFFAOYSA-N 0 0 236.485 3.834 10 0 BHAERN Cc1cc(Cc2ccccc2)sc1C ZINC000038416773 178059801 /nfs/dbraw/zinc/05/98/01/178059801.db2.gz BIHYFOLIQODFPD-UHFFFAOYSA-N 0 0 202.322 3.956 10 0 BHAERN Fc1ccc(-c2ccc(Cl)nc2)cc1 ZINC000038416958 180957758 /nfs/dbraw/zinc/95/77/58/180957758.db2.gz AUTSQIIIUBOZJG-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN CCCCc1cc2cc(C(C)=O)ccc2o1 ZINC000038435589 368326535 /nfs/dbraw/zinc/32/65/35/368326535.db2.gz VMAZTLXXPIRZKQ-UHFFFAOYSA-N 0 0 216.280 3.978 10 0 BHAERN Clc1nc(-c2ccco2)nc2ccccc12 ZINC000038436082 343374801 /nfs/dbraw/zinc/37/48/01/343374801.db2.gz IYCWAIRSKHRGGE-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN CCCc1cnc2c(OC)cccc2c1Cl ZINC000038436293 368326354 /nfs/dbraw/zinc/32/63/54/368326354.db2.gz IDKLJRXKVHDRCW-UHFFFAOYSA-N 0 0 235.714 3.849 10 0 BHAERN Cc1cc(C)cc(-c2cnc3[nH]ccc3c2)c1 ZINC000038458050 368326503 /nfs/dbraw/zinc/32/65/03/368326503.db2.gz FQRVEGPVNBPZOZ-UHFFFAOYSA-N 0 0 222.291 3.847 10 0 BHAERN CCC[C@@H](C)c1cc(OC)c(O)cc1CC ZINC000038476120 169374216 /nfs/dbraw/zinc/37/42/16/169374216.db2.gz KBWYBBQTRTWLNB-SNVBAGLBSA-N 0 0 222.328 3.867 10 0 BHAERN CCC[C@H](C)c1cc(OC)c(O)cc1CC ZINC000038476121 384083620 /nfs/dbraw/zinc/08/36/20/384083620.db2.gz KBWYBBQTRTWLNB-JTQLQIEISA-N 0 0 222.328 3.867 10 0 BHAERN Oc1ccc([C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000038524182 183278196 /nfs/dbraw/zinc/27/81/96/183278196.db2.gz OTQVRKTVOPCEQY-GJZGRUSLSA-N 0 0 210.276 3.663 10 0 BHAERN Cc1cc(SCc2ccccc2)ccn1 ZINC000038524331 358156115 /nfs/dbraw/zinc/15/61/15/358156115.db2.gz IBCQIWDCQREPBT-UHFFFAOYSA-N 0 0 215.321 3.682 10 0 BHAERN COC(=O)c1ccccc1-c1ccc(C)s1 ZINC000038524894 368327305 /nfs/dbraw/zinc/32/73/05/368327305.db2.gz XFULHUHBZDOAIH-UHFFFAOYSA-N 0 0 232.304 3.510 10 0 BHAERN O=C1CCc2ccccc2[C@H](c2ccccc2)C1 ZINC000038525073 347164527 /nfs/dbraw/zinc/16/45/27/347164527.db2.gz JYVAWEOUJSDWGG-KRWDZBQOSA-N 0 0 236.314 3.724 10 0 BHAERN O=C1CCc2ccccc2[C@@H](c2ccccc2)C1 ZINC000038525074 347165152 /nfs/dbraw/zinc/16/51/52/347165152.db2.gz JYVAWEOUJSDWGG-QGZVFWFLSA-N 0 0 236.314 3.724 10 0 BHAERN O=C1CCCc2cc(-c3ccccc3)c(O)cc21 ZINC000038525156 347164559 /nfs/dbraw/zinc/16/45/59/347164559.db2.gz USSOOIFBBJCFHO-UHFFFAOYSA-N 0 0 238.286 3.578 10 0 BHAERN CO[C@@H]1c2ccccc2COc2ccc(C)cc21 ZINC000038525255 347164876 /nfs/dbraw/zinc/16/48/76/347164876.db2.gz CSRKJWDIFJWXRO-MRXNPFEDSA-N 0 0 240.302 3.623 10 0 BHAERN CO[C@H]1c2ccccc2COc2ccc(C)cc21 ZINC000038525256 347165049 /nfs/dbraw/zinc/16/50/49/347165049.db2.gz CSRKJWDIFJWXRO-INIZCTEOSA-N 0 0 240.302 3.623 10 0 BHAERN COc1ccc2nc(-c3ccccc3)sc2c1 ZINC000038525300 347164843 /nfs/dbraw/zinc/16/48/43/347164843.db2.gz RHWASMBUKSNCDV-UHFFFAOYSA-N 0 0 241.315 3.972 10 0 BHAERN CSc1cc(C(C)C)n(-c2ccccc2)n1 ZINC000038532548 175572215 /nfs/dbraw/zinc/57/22/15/175572215.db2.gz VZVHKUXZKCZZNS-UHFFFAOYSA-N 0 0 232.352 3.718 10 0 BHAERN Cc1cc(NC(=O)c2cccs2)sc1C ZINC000038546652 178151588 /nfs/dbraw/zinc/15/15/88/178151588.db2.gz RNKLGVPAIXMCBK-UHFFFAOYSA-N 0 0 237.349 3.679 10 0 BHAERN CC1=C2CC[C@H](C)[C@H]2C[C@@H](C(C)(C)O)CC1 ZINC000038588218 571754406 /nfs/dbraw/zinc/75/44/06/571754406.db2.gz LGOFSGDSFQNIAT-SGMGOOAPSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN CC1=C2CC[C@H](C)[C@H]2C[C@H](C(C)(C)O)CC1 ZINC000038588222 574414407 /nfs/dbraw/zinc/41/44/07/574414407.db2.gz LGOFSGDSFQNIAT-OUCADQQQSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN Cc1ccc2c(ccn2C(=O)c2ccccc2)c1 ZINC000038590046 368327699 /nfs/dbraw/zinc/32/76/99/368327699.db2.gz KJCFWUHYFHKEHL-UHFFFAOYSA-N 0 0 235.286 3.638 10 0 BHAERN C(\OCc1ccccc1)=C1/C=CCCC1 ZINC000038611818 188291048 /nfs/dbraw/zinc/29/10/48/188291048.db2.gz KZFHRFDUCGTTLC-OWBHPGMISA-N 0 0 200.281 3.827 10 0 BHAERN CCC(=O)OC1(C)CCC(=C(C)C)CC1 ZINC000038633333 350319353 /nfs/dbraw/zinc/31/93/53/350319353.db2.gz AAGPAPGSTAMBHM-UHFFFAOYSA-N 0 0 210.317 3.609 10 0 BHAERN CC(=O)O/C=C/Cc1ccc(C(C)(C)C)cc1 ZINC000038634278 187600621 /nfs/dbraw/zinc/60/06/21/187600621.db2.gz IFIVPISMBCMKBF-VZUCSPMQSA-N 0 0 232.323 3.603 10 0 BHAERN CCC1=CCCC(C)(C)[C@@]12C=C[C@H](C)O2 ZINC000038634836 168508437 /nfs/dbraw/zinc/50/84/37/168508437.db2.gz NHJSLVJXXDHDRV-SMDDNHRTSA-N 0 0 206.329 3.857 10 0 endogenous,in-man BHAERN CCC1=CCCC(C)(C)[C@]12C=C[C@H](C)O2 ZINC000038634839 571753993 /nfs/dbraw/zinc/75/39/93/571753993.db2.gz NHJSLVJXXDHDRV-FZMZJTMJSA-N 0 0 206.329 3.857 10 0 endogenous,in-man BHAERN CCC1=CCCC(C)(C)[C@@]12C=C[C@@H](C)O2 ZINC000038634841 168508354 /nfs/dbraw/zinc/50/83/54/168508354.db2.gz NHJSLVJXXDHDRV-BXUZGUMPSA-N 0 0 206.329 3.857 10 0 endogenous,in-man BHAERN CCC1=CCCC(C)(C)[C@]12C=C[C@@H](C)O2 ZINC000038634844 571753797 /nfs/dbraw/zinc/75/37/97/571753797.db2.gz NHJSLVJXXDHDRV-RISCZKNCSA-N 0 0 206.329 3.857 10 0 endogenous,in-man BHAERN CC(C)[C@@]12C=C[C@@](C)(CC1)[C@]1(CCOC1)C2 ZINC000038635359 187938232 /nfs/dbraw/zinc/93/82/32/187938232.db2.gz SVUNYCAVSBQRAF-SOUVJXGZSA-N 0 0 220.356 3.796 10 0 BHAERN O=c1ccocc1-c1ccccc1-c1ccccc1 ZINC000038635610 183006352 /nfs/dbraw/zinc/00/63/52/183006352.db2.gz VPFFEXFYHFIBNR-UHFFFAOYSA-N 0 0 248.281 3.974 10 0 BHAERN CC1(C)[C@@H]2C=C(c3ccccn3)[C@@]1(C)CC2 ZINC000038636562 168003233 /nfs/dbraw/zinc/00/32/33/168003233.db2.gz NUKWWIUNFJZQDK-XHDPSFHLSA-N 0 0 213.324 3.921 10 0 BHAERN CCCCC/C=C/C=C\C(=O)OCCC ZINC000038636608 187254703 /nfs/dbraw/zinc/25/47/03/187254703.db2.gz RKDOXCGYGLYOBV-OCBXPSTGSA-N 0 0 210.317 3.632 10 0 BHAERN CC1=C[C@H]([C@]2(C)OC[C@@H](C)O2)CC(C)(C)C1 ZINC000038636992 168131596 /nfs/dbraw/zinc/13/15/96/168131596.db2.gz XODOBODQNVUHDA-MBNYWOFBSA-N 0 0 224.344 3.520 10 0 BHAERN CC1=C[C@H]([C@]2(C)OC[C@H](C)O2)CC(C)(C)C1 ZINC000038636995 168132114 /nfs/dbraw/zinc/13/21/14/168132114.db2.gz XODOBODQNVUHDA-SGMGOOAPSA-N 0 0 224.344 3.520 10 0 BHAERN CC1=C[C@H]([C@@]2(C)OC[C@@H](C)O2)CC(C)(C)C1 ZINC000038636997 168131628 /nfs/dbraw/zinc/13/16/28/168131628.db2.gz XODOBODQNVUHDA-DYEKYZERSA-N 0 0 224.344 3.520 10 0 BHAERN CC1=C[C@H]([C@@]2(C)OC[C@H](C)O2)CC(C)(C)C1 ZINC000038637000 168131572 /nfs/dbraw/zinc/13/15/72/168131572.db2.gz XODOBODQNVUHDA-OBJOEFQTSA-N 0 0 224.344 3.520 10 0 BHAERN COC(=O)[C@]1(C)CCC2=C(C1)C(C)(C)CCC2 ZINC000038644072 173836075 /nfs/dbraw/zinc/83/60/75/173836075.db2.gz JLQDNUAEHHGXMP-OAHLLOKOSA-N 0 0 236.355 3.856 10 0 BHAERN COC(=O)[C@]1(C)CC=C2CCCC(C)(C)[C@@H]2C1 ZINC000038645160 173835819 /nfs/dbraw/zinc/83/58/19/173835819.db2.gz KNHQUGDAVAYSEH-IUODEOHRSA-N 0 0 236.355 3.712 10 0 BHAERN COC(=O)[C@]1(C)CCC2=CCCC(C)(C)[C@@H]2C1 ZINC000038645173 173835321 /nfs/dbraw/zinc/83/53/21/173835321.db2.gz ZMXFFZBRNBVZAS-IUODEOHRSA-N 0 0 236.355 3.712 10 0 BHAERN CCC(C)(C)C1CCC2(CC1)OC[C@H](C)O2 ZINC000038645963 168270124 /nfs/dbraw/zinc/27/01/24/168270124.db2.gz NMAGDJUSQTVMCT-DCBWTQNWSA-N 0 0 226.360 3.744 10 0 BHAERN CCC(C)(C)C1CCC2(CC1)OC[C@@H](C)O2 ZINC000038645966 168270578 /nfs/dbraw/zinc/27/05/78/168270578.db2.gz NMAGDJUSQTVMCT-LKSINWNRSA-N 0 0 226.360 3.744 10 0 BHAERN CCCCC(=O)O[C@H]1CCC=CCCC1 ZINC000038646099 343378084 /nfs/dbraw/zinc/37/80/84/343378084.db2.gz WIJXCQOLWPIWPZ-LBPRGKRZSA-N 0 0 210.317 3.609 10 0 BHAERN CCCCC(=O)O[C@@H]1CCC=CCCC1 ZINC000038646105 168630201 /nfs/dbraw/zinc/63/02/01/168630201.db2.gz WIJXCQOLWPIWPZ-GFCCVEGCSA-N 0 0 210.317 3.609 10 0 BHAERN Nc1ccc(C(=O)c2cccc3ccccc32)cc1 ZINC000038646231 348715779 /nfs/dbraw/zinc/71/57/79/348715779.db2.gz UGSYXNDKIWVIRW-UHFFFAOYSA-N 0 0 247.297 3.653 10 0 BHAERN CC(C)[C@H](O)CC(C)(C)C1CCCCC1 ZINC000038647624 343378065 /nfs/dbraw/zinc/37/80/65/343378065.db2.gz BHHSAAAGWSTDGV-CYBMUJFWSA-N 0 0 212.377 4.000 10 0 BHAERN CC(C)[C@@H](O)CC(C)(C)C1CCCCC1 ZINC000038647626 167447427 /nfs/dbraw/zinc/44/74/27/167447427.db2.gz BHHSAAAGWSTDGV-ZDUSSCGKSA-N 0 0 212.377 4.000 10 0 BHAERN CCC(C)(C)C1CCC2(C[C@H](C)C(=O)O2)CC1 ZINC000038647857 168270037 /nfs/dbraw/zinc/27/00/37/168270037.db2.gz SOKIHGCFUGVTCI-BZUNDVKYSA-N 0 0 238.371 3.935 10 0 BHAERN CCC(C)(C)C1CCC2(C[C@@H](C)C(=O)O2)CC1 ZINC000038647858 168270841 /nfs/dbraw/zinc/27/08/41/168270841.db2.gz SOKIHGCFUGVTCI-XIKARTHZSA-N 0 0 238.371 3.935 10 0 BHAERN C[C@@H]1CC2(CCC(C(C)(C)C)CC2)OC1=O ZINC000038648394 176057023 /nfs/dbraw/zinc/05/70/23/176057023.db2.gz RUDWYGPMFXMYJL-CDWSIMAYSA-N 0 0 224.344 3.545 10 0 BHAERN C[C@H]1CC2(CCC(C(C)(C)C)CC2)OC1=O ZINC000038648396 177067987 /nfs/dbraw/zinc/06/79/87/177067987.db2.gz RUDWYGPMFXMYJL-IFQILLTASA-N 0 0 224.344 3.545 10 0 BHAERN CC1(C)[C@H]2CC[C@]1(C)[C@H](C1CCC(O)CC1)C2 ZINC000038655627 168010860 /nfs/dbraw/zinc/01/08/60/168010860.db2.gz LFHQKYSBKVWWOS-WFXBRLAISA-N 0 0 236.399 4.000 10 0 BHAERN CCCC[C@@H]1C=Cc2cc(OC)ccc2N1 ZINC000038673734 343106649 /nfs/dbraw/zinc/10/66/49/343106649.db2.gz MTHCCQDNQDBTKB-GFCCVEGCSA-N 0 0 217.312 3.693 10 0 BHAERN CCCC[C@H]1C=Cc2cc(OC)ccc2N1 ZINC000038673736 343106375 /nfs/dbraw/zinc/10/63/75/343106375.db2.gz MTHCCQDNQDBTKB-LBPRGKRZSA-N 0 0 217.312 3.693 10 0 BHAERN N#C[C@@H](Nc1ccc(Cl)cc1)c1ccco1 ZINC000038674811 368327188 /nfs/dbraw/zinc/32/71/88/368327188.db2.gz QBGUQOSHQXQAMN-LLVKDONJSA-N 0 0 232.670 3.610 10 0 BHAERN N#C[C@H](Nc1ccc(Cl)cc1)c1ccco1 ZINC000038674814 368327206 /nfs/dbraw/zinc/32/72/06/368327206.db2.gz QBGUQOSHQXQAMN-NSHDSACASA-N 0 0 232.670 3.610 10 0 BHAERN CCCc1cccc2cccc(OCOC)c21 ZINC000038675088 347164165 /nfs/dbraw/zinc/16/41/65/347164165.db2.gz MCJGZZLRJVIZDF-UHFFFAOYSA-N 0 0 230.307 3.775 10 0 BHAERN CCCCc1nccn1Cc1ccccc1Cl ZINC000038676513 347163955 /nfs/dbraw/zinc/16/39/55/347163955.db2.gz QDIAKNVAAGSOEB-UHFFFAOYSA-N 0 0 248.757 3.927 10 0 BHAERN O=C(c1cc2ccccc2[nH]1)C1CCCCC1 ZINC000038763852 368327897 /nfs/dbraw/zinc/32/78/97/368327897.db2.gz RDIMABZXFVGOQJ-UHFFFAOYSA-N 0 0 227.307 3.931 10 0 BHAERN CCCCCNc1ccnc2c(F)cccc12 ZINC000038764220 368327827 /nfs/dbraw/zinc/32/78/27/368327827.db2.gz FMQRMBANJNKPOX-UHFFFAOYSA-N 0 0 232.302 3.976 10 0 BHAERN CC(=O)Nc1ccc2cc3c(cc2c1)CCCC3 ZINC000038764919 368327867 /nfs/dbraw/zinc/32/78/67/368327867.db2.gz CFLJYJTXALGJBL-UHFFFAOYSA-N 0 0 239.318 3.677 10 0 BHAERN CC[C@H](C)[C@@H]1C[C@H](Cc2ccccc2)C(=O)S1 ZINC000038765769 347164025 /nfs/dbraw/zinc/16/40/25/347164025.db2.gz QFPQESGQWGLTKL-UBHSHLNASA-N 0 0 248.391 3.924 10 0 BHAERN CC[C@H](C)[C@H]1C[C@H](Cc2ccccc2)C(=O)S1 ZINC000038765773 347163985 /nfs/dbraw/zinc/16/39/85/347163985.db2.gz QFPQESGQWGLTKL-FPMFFAJLSA-N 0 0 248.391 3.924 10 0 BHAERN Cc1cccc(C)c1/C=C/c1ccncc1 ZINC000038812533 179029150 /nfs/dbraw/zinc/02/91/50/179029150.db2.gz KIEKLJSWUJPJTD-VOTSOKGWSA-N 0 0 209.292 3.869 10 0 BHAERN Cc1ccc2ncc(N)c(-c3ccccc3)c2c1 ZINC000038813440 347167742 /nfs/dbraw/zinc/16/77/42/347167742.db2.gz UDDRLAGURIPKQM-UHFFFAOYSA-N 0 0 234.302 3.792 10 0 BHAERN Cc1cccc(C(=O)c2cc3ccccc3[nH]2)c1 ZINC000038813461 347167586 /nfs/dbraw/zinc/16/75/86/347167586.db2.gz LDUGDPJPKSFBGD-UHFFFAOYSA-N 0 0 235.286 3.707 10 0 BHAERN CC1(C)CCSc2cc3c(cc21)CCCC3=O ZINC000038813943 347168353 /nfs/dbraw/zinc/16/83/53/347168353.db2.gz YUKNRMFOZNZJSL-UHFFFAOYSA-N 0 0 246.375 3.979 10 0 BHAERN CN(c1cn(C)c2ccccc12)c1ccccc1 ZINC000038844127 343379813 /nfs/dbraw/zinc/37/98/13/343379813.db2.gz SODMFEPJESDXAB-UHFFFAOYSA-N 0 0 236.318 3.946 10 0 BHAERN c1ccc(-c2ccc(-c3ccccn3)cc2)nc1 ZINC000038853776 383891424 /nfs/dbraw/zinc/89/14/24/383891424.db2.gz XCBZVHOSXIYMJT-UHFFFAOYSA-N 0 0 232.286 3.811 10 0 BHAERN Clc1ncnc2scc(-c3ccco3)c21 ZINC000038854260 343109829 /nfs/dbraw/zinc/10/98/29/343109829.db2.gz ZLQFNJPZJRVGRW-UHFFFAOYSA-N 0 0 236.683 3.605 10 0 BHAERN CCOC(CCC1CCCCC1)OCC ZINC000038867364 343408021 /nfs/dbraw/zinc/40/80/21/343408021.db2.gz VAIIRHKNISAMQA-UHFFFAOYSA-N 0 0 214.349 3.746 10 0 BHAERN CC(=O)Oc1cccc2cccc(C(C)C)c21 ZINC000038868062 347168762 /nfs/dbraw/zinc/16/87/62/347168762.db2.gz IVKMEWQTWQRTAL-UHFFFAOYSA-N 0 0 228.291 3.889 10 0 BHAERN Fc1ccc(-n2ccc3ccc(F)cc32)cc1 ZINC000038868090 347168252 /nfs/dbraw/zinc/16/82/52/347168252.db2.gz ZDBBNLFPHSRFHT-UHFFFAOYSA-N 0 0 229.229 3.909 10 0 BHAERN COc1ccc(Nc2ccc(F)cc2)cc1 ZINC000038875393 175156158 /nfs/dbraw/zinc/15/61/58/175156158.db2.gz ITBAWYAKHGPVMM-UHFFFAOYSA-N 0 0 217.243 3.578 10 0 BHAERN CCCCC(=O)c1ccccc1Br ZINC000038879799 358207623 /nfs/dbraw/zinc/20/76/23/358207623.db2.gz WLFYGMDTYFYMCU-UHFFFAOYSA-N 0 0 241.128 3.822 10 0 BHAERN CCOC(=O)c1ccc(-c2ccccc2C)cc1 ZINC000038880671 170294683 /nfs/dbraw/zinc/29/46/83/170294683.db2.gz JATKHVTURSIAGS-UHFFFAOYSA-N 0 0 240.302 3.839 10 0 BHAERN Cc1ccccc1C(=O)CC1CCCC1 ZINC000038880978 372802543 /nfs/dbraw/zinc/80/25/43/372802543.db2.gz PYHYEDFTGGZMAU-UHFFFAOYSA-N 0 0 202.297 3.758 10 0 BHAERN CC(=O)N1c2ccc(C)cc2C=C(Cl)C1(C)C ZINC000038881621 132342699 /nfs/dbraw/zinc/34/26/99/132342699.db2.gz VGXUXSJWLXAPCQ-UHFFFAOYSA-N 0 0 249.741 3.720 10 0 BHAERN Cc1cc(Cl)ccc1C(=O)c1ccccc1 ZINC000038887790 358206996 /nfs/dbraw/zinc/20/69/96/358206996.db2.gz VPJOUHYHNNHYSP-UHFFFAOYSA-N 0 0 230.694 3.879 10 0 BHAERN c1ccc([C@@H]2CCNc3ccccc32)cc1 ZINC000038888313 359987815 /nfs/dbraw/zinc/98/78/15/359987815.db2.gz YUEVNAMKBJHWDG-ZDUSSCGKSA-N 0 0 209.292 3.634 10 0 BHAERN c1ccc([C@H]2CCNc3ccccc32)cc1 ZINC000038888315 359987795 /nfs/dbraw/zinc/98/77/95/359987795.db2.gz YUEVNAMKBJHWDG-CYBMUJFWSA-N 0 0 209.292 3.634 10 0 BHAERN Clc1cccc2c3ccccc3[nH]c21 ZINC000038888444 372804239 /nfs/dbraw/zinc/80/42/39/372804239.db2.gz DBDCPKPHHCECLZ-UHFFFAOYSA-N 0 0 201.656 3.975 10 0 BHAERN CCCC(=O)c1cnc2ccccc2c1Cl ZINC000038918448 343380273 /nfs/dbraw/zinc/38/02/73/343380273.db2.gz XMEPUWJEQDOILX-UHFFFAOYSA-N 0 0 233.698 3.871 10 0 BHAERN CC1=CC(=O)O[C@]2(CCCC(C)=C2C(C)C)C1 ZINC000038918503 347170415 /nfs/dbraw/zinc/17/04/15/347170415.db2.gz APQSZJYYPZISSV-OAHLLOKOSA-N 0 0 234.339 3.775 10 0 BHAERN CC1=CC(=O)O[C@@]2(CCCC(C)=C2C(C)C)C1 ZINC000038918505 347170421 /nfs/dbraw/zinc/17/04/21/347170421.db2.gz APQSZJYYPZISSV-HNNXBMFYSA-N 0 0 234.339 3.775 10 0 BHAERN CCOC(=O)/C(=C\CC(C)C)Cc1ccccc1 ZINC000038919189 347170699 /nfs/dbraw/zinc/17/06/99/347170699.db2.gz BSSZILJOASTMBA-PTNGSMBKSA-N 0 0 246.350 3.765 10 0 BHAERN c1cc(OC2CCCCC2)cc2c1CCC2 ZINC000038952515 368328009 /nfs/dbraw/zinc/32/80/09/368328009.db2.gz ZGCDQVWTYQCPFV-UHFFFAOYSA-N 0 0 216.324 3.887 10 0 BHAERN Cc1cc2nc(Cl)c3cccn3c2cc1C ZINC000038953446 347171247 /nfs/dbraw/zinc/17/12/47/347171247.db2.gz RWOCMRUCIDNXMJ-UHFFFAOYSA-N 0 0 230.698 3.758 10 0 BHAERN Clc1cc(-c2cccs2)nc(Cl)n1 ZINC000038953450 343111661 /nfs/dbraw/zinc/11/16/61/343111661.db2.gz CAUYJKADMCAWCX-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN CCCC(=O)c1ccccc1N1CCCCC1 ZINC000038953480 347171202 /nfs/dbraw/zinc/17/12/02/347171202.db2.gz VMGOAKSKJLNGSO-UHFFFAOYSA-N 0 0 231.339 3.660 10 0 BHAERN Cc1ccc(-c2cc(Cl)nc(Cl)n2)cc1 ZINC000038953900 178322205 /nfs/dbraw/zinc/32/22/05/178322205.db2.gz JMMNAMVVOXSZHE-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN COc1ccc(-c2cc3ccc(F)cc3[nH]2)cc1 ZINC000038954103 347171217 /nfs/dbraw/zinc/17/12/17/347171217.db2.gz RNPHTMQNMJCXJC-UHFFFAOYSA-N 0 0 241.265 3.983 10 0 BHAERN Clc1cccc(Cl)c1N1CCCC1 ZINC000038974887 343380743 /nfs/dbraw/zinc/38/07/43/343380743.db2.gz UEHUOUBNRWKIJI-UHFFFAOYSA-N 0 0 216.111 3.594 10 0 BHAERN CC(C)(C)c1ccccc1N1CCCCC1 ZINC000038975142 368327835 /nfs/dbraw/zinc/32/78/35/368327835.db2.gz KXDPYKVLDXMWNX-UHFFFAOYSA-N 0 0 217.356 3.974 10 0 BHAERN Cc1cc2c([nH]1)c(Br)ccc2C ZINC000038975827 344188835 /nfs/dbraw/zinc/18/88/35/344188835.db2.gz AKGHMUCDWISMTM-UHFFFAOYSA-N 0 0 224.101 3.547 10 0 BHAERN Cc1ccccc1[C@@H]1CC(=O)Cc2ccccc21 ZINC000038977012 368329273 /nfs/dbraw/zinc/32/92/73/368329273.db2.gz KAGYEZZUPYOBQH-KRWDZBQOSA-N 0 0 236.314 3.642 10 0 BHAERN Cc1ccccc1[C@H]1CC(=O)Cc2ccccc21 ZINC000038977013 347174352 /nfs/dbraw/zinc/17/43/52/347174352.db2.gz KAGYEZZUPYOBQH-QGZVFWFLSA-N 0 0 236.314 3.642 10 0 BHAERN CC(=O)c1c(C)c(C)c(C(C)=O)c2ccccc21 ZINC000038977189 347174365 /nfs/dbraw/zinc/17/43/65/347174365.db2.gz IMNHTSOLNDDUHY-UHFFFAOYSA-N 0 0 240.302 3.862 10 0 BHAERN Fc1ccc(OCc2ccccc2)c2cc[nH]c21 ZINC000038977229 347174057 /nfs/dbraw/zinc/17/40/57/347174057.db2.gz VPYWAPWGXQRMPN-UHFFFAOYSA-N 0 0 241.265 3.886 10 0 BHAERN Cc1cccc(C=C2CCC3(CC2)OCCO3)c1 ZINC000038977415 347174223 /nfs/dbraw/zinc/17/42/23/347174223.db2.gz ZUFSEORQELRKBC-UHFFFAOYSA-N 0 0 244.334 3.696 10 0 BHAERN C=C(COCc1ccc(OC)cc1)C1=CCCC1 ZINC000038977417 350114366 /nfs/dbraw/zinc/11/43/66/350114366.db2.gz RVGIFQKJAUEUIR-UHFFFAOYSA-N 0 0 244.334 3.878 10 0 BHAERN CCCCCCc1ccc(C2=NNCCC2)cc1 ZINC000038977435 347174382 /nfs/dbraw/zinc/17/43/82/347174382.db2.gz PZZXMRJFLGRBBK-UHFFFAOYSA-N 0 0 244.382 3.897 10 0 BHAERN Cc1ccc(C(C)(C)C)cc1C(=O)NC(C)(C)C ZINC000038977608 347174164 /nfs/dbraw/zinc/17/41/64/347174164.db2.gz WLZHXFMBOZMIEA-UHFFFAOYSA-N 0 0 247.382 3.821 10 0 BHAERN CCC1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000038977721 322829803 /nfs/dbraw/zinc/82/98/03/322829803.db2.gz IGKQSWJLJJEWCZ-UHFFFAOYSA-N 0 0 249.329 3.524 10 0 BHAERN Clc1cc2c(c(Cl)n1)CCCCC2 ZINC000038997368 343380809 /nfs/dbraw/zinc/38/08/09/343380809.db2.gz NBXSYTGQNDWOMA-UHFFFAOYSA-N 0 0 216.111 3.657 10 0 BHAERN c1ccc(CCC2SCCCS2)cc1 ZINC000038997859 368329001 /nfs/dbraw/zinc/32/90/01/368329001.db2.gz VDVGFTCPRNDZQE-UHFFFAOYSA-N 0 0 224.394 3.815 10 0 BHAERN c1csc(-c2ccnc(-c3ccccn3)c2)c1 ZINC000038998464 350328212 /nfs/dbraw/zinc/32/82/12/350328212.db2.gz SLGDHXJAMVNOMJ-UHFFFAOYSA-N 0 0 238.315 3.872 10 0 BHAERN Cc1nnc(Cl)cc1-c1ccc(Cl)cc1 ZINC000038998502 344196329 /nfs/dbraw/zinc/19/63/29/344196329.db2.gz YSBFXYBTTITIIC-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN CCOC(=O)[C@@H](C)Cc1cccc2ccccc21 ZINC000038998674 344196753 /nfs/dbraw/zinc/19/67/53/344196753.db2.gz UHJZSGRGHWZDDC-LBPRGKRZSA-N 0 0 242.318 3.582 10 0 BHAERN CCOC(=O)[C@H](C)Cc1cccc2ccccc21 ZINC000038998675 344196284 /nfs/dbraw/zinc/19/62/84/344196284.db2.gz UHJZSGRGHWZDDC-GFCCVEGCSA-N 0 0 242.318 3.582 10 0 BHAERN Cc1cccc2cc3c(nc12)C(=O)c1ccccc1-3 ZINC000038998864 347172281 /nfs/dbraw/zinc/17/22/81/347172281.db2.gz CCJXQINDVIFNIM-UHFFFAOYSA-N 0 0 245.281 3.755 10 0 BHAERN CO/C=C/[C@@H]1c2ccccc2C=C[C@H]1C ZINC000039018397 490116209 /nfs/dbraw/zinc/11/62/09/490116209.db2.gz GONGISLQNZGONJ-FCSPZMLESA-N 0 0 200.281 3.593 10 0 BHAERN Clc1nsc2cc(Cl)ccc12 ZINC000039018538 344279040 /nfs/dbraw/zinc/27/90/40/344279040.db2.gz NEYRYYMMDZQOFG-UHFFFAOYSA-N 0 0 204.081 3.603 10 0 BHAERN CCOc1c(Cl)cc(F)cc1Cl ZINC000039018787 398112039 /nfs/dbraw/zinc/11/20/39/398112039.db2.gz UKLINPSATLFVJJ-UHFFFAOYSA-N 0 0 209.047 3.531 10 0 BHAERN CCCC[C@@H](C(=O)OC)C1CCCCC1 ZINC000039018973 344278940 /nfs/dbraw/zinc/27/89/40/344278940.db2.gz WSJPJDGSWYBBNZ-GFCCVEGCSA-N 0 0 212.333 3.546 10 0 BHAERN CC[C@@H]1C=Cc2ccccc2[C@H]1/C=C/OC ZINC000039019058 368329345 /nfs/dbraw/zinc/32/93/45/368329345.db2.gz WYBZYYGMOROFJI-LWTATFELSA-N 0 0 214.308 3.983 10 0 BHAERN CCOP(=O)(OCC)C1=CCCCC1 ZINC000039019201 490115826 /nfs/dbraw/zinc/11/58/26/490115826.db2.gz LKZVEBMWBIQOFK-UHFFFAOYSA-N 0 0 218.233 3.710 10 0 BHAERN O[C@@H]1CCCC[C@H]1CCCc1ccccc1 ZINC000039019247 358217086 /nfs/dbraw/zinc/21/70/86/358217086.db2.gz WGRWPZVBPUYUBO-LSDHHAIUSA-N 0 0 218.340 3.560 10 0 BHAERN CC[C@@H]1CCc2cc([C@@H](C)O)ccc2S1 ZINC000039019456 490116342 /nfs/dbraw/zinc/11/63/42/490116342.db2.gz ZJWURTKPOADDEW-BXKDBHETSA-N 0 0 222.353 3.557 10 0 BHAERN CC[C@@H]1CCc2cc([C@H](C)O)ccc2S1 ZINC000039019458 368328841 /nfs/dbraw/zinc/32/88/41/368328841.db2.gz ZJWURTKPOADDEW-JOYOIKCWSA-N 0 0 222.353 3.557 10 0 BHAERN Cc1ccccc1C(C=O)c1ccccc1C ZINC000039019575 347174926 /nfs/dbraw/zinc/17/49/26/347174926.db2.gz CSOPJTARHQKIJN-UHFFFAOYSA-N 0 0 224.303 3.634 10 0 BHAERN C/C(=N\O)c1cc2c(cccc2Cl)s1 ZINC000039019645 347175304 /nfs/dbraw/zinc/17/53/04/347175304.db2.gz CHFQUVPFOILDNK-WUXMJOGZSA-N 0 0 225.700 3.753 10 0 BHAERN COc1cc2cc(C)c(C)cc2c(C)c1OC ZINC000039019908 347175275 /nfs/dbraw/zinc/17/52/75/347175275.db2.gz UUBHCJSLAPPHQQ-UHFFFAOYSA-N 0 0 230.307 3.782 10 0 BHAERN Cc1ccccc1C=CC(=O)Cc1ccccc1 ZINC000039020260 368409172 /nfs/dbraw/zinc/40/91/72/368409172.db2.gz NIYFVLOMLHNXNT-VAWYXSNFSA-N 0 0 236.314 3.820 10 0 BHAERN OCCSc1ccc(Oc2ccccc2)cc1 ZINC000039020810 347175917 /nfs/dbraw/zinc/17/59/17/347175917.db2.gz WMLUDEBEEKISQM-UHFFFAOYSA-N 0 0 246.331 3.563 10 0 BHAERN c1csc(CCCc2ccccc2)c1 ZINC000039039522 347174214 /nfs/dbraw/zinc/17/42/14/347174214.db2.gz VEFGCFNCYQTPHP-UHFFFAOYSA-N 0 0 202.322 3.923 10 0 BHAERN O=C1CCCCC[C@@H]1CCCCCl ZINC000039039525 358217214 /nfs/dbraw/zinc/21/72/14/358217214.db2.gz LVBFEYSQFSQWFC-SNVBAGLBSA-N 0 0 202.725 3.545 10 0 BHAERN O=C1CCCCC[C@H]1CCCCCl ZINC000039039526 358217385 /nfs/dbraw/zinc/21/73/85/358217385.db2.gz LVBFEYSQFSQWFC-JTQLQIEISA-N 0 0 202.725 3.545 10 0 BHAERN Cc1n[nH]c2cccc(-c3ccccc3)c12 ZINC000039039718 398026639 /nfs/dbraw/zinc/02/66/39/398026639.db2.gz AHZJQPMZUPQFMX-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN COc1c(C(C)C)cc(C=O)cc1C(C)C ZINC000039040235 347174325 /nfs/dbraw/zinc/17/43/25/347174325.db2.gz KUKIFBQZXCZIAS-UHFFFAOYSA-N 0 0 220.312 3.755 10 0 BHAERN CC[C@@H](C)c1[nH]nc2c1CCc1ccccc1-2 ZINC000039041626 347174278 /nfs/dbraw/zinc/17/42/78/347174278.db2.gz LGTMMRCQSLGRFE-SNVBAGLBSA-N 0 0 226.323 3.689 10 0 BHAERN CC[C@H](C)c1[nH]nc2c1CCc1ccccc1-2 ZINC000039041627 347174295 /nfs/dbraw/zinc/17/42/95/347174295.db2.gz LGTMMRCQSLGRFE-JTQLQIEISA-N 0 0 226.323 3.689 10 0 BHAERN O[C@H]1CCCC[C@H]1c1cc2ccccc2s1 ZINC000039041946 347174076 /nfs/dbraw/zinc/17/40/76/347174076.db2.gz YXBHYSYBPPQFFP-NEPJUHHUSA-N 0 0 232.348 3.920 10 0 BHAERN O[C@H]1CCCC[C@@H]1c1cc2ccccc2s1 ZINC000039041947 347174108 /nfs/dbraw/zinc/17/41/08/347174108.db2.gz YXBHYSYBPPQFFP-RYUDHWBXSA-N 0 0 232.348 3.920 10 0 BHAERN O[C@@H]1CCCC[C@H]1c1cc2ccccc2s1 ZINC000039041948 347175243 /nfs/dbraw/zinc/17/52/43/347175243.db2.gz YXBHYSYBPPQFFP-VXGBXAGGSA-N 0 0 232.348 3.920 10 0 BHAERN O[C@@H]1CCCC[C@@H]1c1cc2ccccc2s1 ZINC000039041949 347174830 /nfs/dbraw/zinc/17/48/30/347174830.db2.gz YXBHYSYBPPQFFP-NWDGAFQWSA-N 0 0 232.348 3.920 10 0 BHAERN Clc1ccc2c(Cl)nnc(Cl)c2c1 ZINC000039042003 386200719 /nfs/dbraw/zinc/20/07/19/386200719.db2.gz UHLIWROXGHZFPB-UHFFFAOYSA-N 0 0 233.485 3.590 10 0 BHAERN C=Cc1ccc(-c2ccccc2)c(C(=O)OC)c1 ZINC000039042269 347175229 /nfs/dbraw/zinc/17/52/29/347175229.db2.gz GTCZTEYHOWOKQW-UHFFFAOYSA-N 0 0 238.286 3.783 10 0 BHAERN Brc1cccc(-c2cccs2)n1 ZINC000039042365 166101640 /nfs/dbraw/zinc/10/16/40/166101640.db2.gz GOXHTNUZZXYKHA-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN O=C(c1ccccc1)C1(F)CCCCC1 ZINC000039055457 384101526 /nfs/dbraw/zinc/10/15/26/384101526.db2.gz TVBPLLGHEVBNHT-UHFFFAOYSA-N 0 0 206.260 3.542 10 0 BHAERN O=C(C1CCCCC1)C1(F)CCCCC1 ZINC000039055561 181869438 /nfs/dbraw/zinc/86/94/38/181869438.db2.gz FWXYPHJIJDPWLT-UHFFFAOYSA-N 0 0 212.308 3.808 10 0 BHAERN O=C(c1ccccc1)[C@H](F)c1ccccc1 ZINC000039055616 182678036 /nfs/dbraw/zinc/67/80/36/182678036.db2.gz YKOBTWNAYVMLME-CYBMUJFWSA-N 0 0 214.239 3.580 10 0 BHAERN CC(C)(Cl)C(=O)c1cccc(Cl)c1 ZINC000039055728 384101485 /nfs/dbraw/zinc/10/14/85/384101485.db2.gz MUHTYGMMAHPZHQ-UHFFFAOYSA-N 0 0 217.095 3.540 10 0 BHAERN O=Cc1cc2c(o1)c(Cl)ccc2Cl ZINC000039075878 344141710 /nfs/dbraw/zinc/14/17/10/344141710.db2.gz HUTCWOPFJGCRBF-UHFFFAOYSA-N 0 0 215.035 3.552 10 0 BHAERN Oc1ccc2c(c1)Nc1ccccc1S2 ZINC000039075893 183280732 /nfs/dbraw/zinc/28/07/32/183280732.db2.gz OJQOKLSLPLGDBX-UHFFFAOYSA-N 0 0 215.277 3.600 10 0 BHAERN CCCCCCOC(=O)[C@H](C)c1ccccc1 ZINC000039076852 347176795 /nfs/dbraw/zinc/17/67/95/347176795.db2.gz LARAVRJCBZOBAA-CYBMUJFWSA-N 0 0 234.339 3.914 10 0 BHAERN CC(=O)/C=C/c1ccc(Oc2ccc(F)cc2)o1 ZINC000039078431 350115189 /nfs/dbraw/zinc/11/51/89/350115189.db2.gz MURXFLMGQXNCKC-GORDUTHDSA-N 0 0 246.237 3.813 10 0 BHAERN O[C@@H]1C[C@H](c2ccc(F)cc2)c2cccc(F)c21 ZINC000039078439 343381453 /nfs/dbraw/zinc/38/14/53/343381453.db2.gz ROKMEBZPPNXJCT-TZMCWYRMSA-N 0 0 246.256 3.534 10 0 BHAERN O[C@H]1C[C@H](c2ccc(F)cc2)c2cccc(F)c21 ZINC000039078441 347177824 /nfs/dbraw/zinc/17/78/24/347177824.db2.gz ROKMEBZPPNXJCT-OCCSQVGLSA-N 0 0 246.256 3.534 10 0 BHAERN O[C@@H]1C[C@@H](c2ccc(F)cc2)c2cccc(F)c21 ZINC000039078443 347177711 /nfs/dbraw/zinc/17/77/11/347177711.db2.gz ROKMEBZPPNXJCT-GXTWGEPZSA-N 0 0 246.256 3.534 10 0 BHAERN O[C@H]1C[C@@H](c2ccc(F)cc2)c2cccc(F)c21 ZINC000039078445 347177796 /nfs/dbraw/zinc/17/77/96/347177796.db2.gz ROKMEBZPPNXJCT-JSGCOSHPSA-N 0 0 246.256 3.534 10 0 BHAERN CCOC1(c2ccc(O)cc2C(C)C)CC1 ZINC000039098882 170320017 /nfs/dbraw/zinc/32/00/17/170320017.db2.gz QBHQTPDGJGRDNW-UHFFFAOYSA-N 0 0 220.312 3.541 10 0 BHAERN CCOc1cc2c(cc1C)C=CCC=C2 ZINC000039098962 343382998 /nfs/dbraw/zinc/38/29/98/343382998.db2.gz NVCKHLLZYZFBNA-UHFFFAOYSA-N 0 0 200.281 3.824 10 0 BHAERN CCOc1cc2c(cc1C)CC=CC=C2 ZINC000039098963 343383114 /nfs/dbraw/zinc/38/31/14/343383114.db2.gz JSGYEGZNUHIDRJ-UHFFFAOYSA-N 0 0 200.281 3.519 10 0 BHAERN CCOC1=CCCC[C@@H]1c1ccccc1 ZINC000039099108 170320655 /nfs/dbraw/zinc/32/06/55/170320655.db2.gz UEZXPAOVTDSGNQ-CYBMUJFWSA-N 0 0 202.297 3.875 10 0 BHAERN CCOC1=CCCC[C@H]1c1ccccc1 ZINC000039099109 170320985 /nfs/dbraw/zinc/32/09/85/170320985.db2.gz UEZXPAOVTDSGNQ-ZDUSSCGKSA-N 0 0 202.297 3.875 10 0 BHAERN CCO[C@H]1C=CC[C@H](c2ccccc2)C1 ZINC000039099119 343382997 /nfs/dbraw/zinc/38/29/97/343382997.db2.gz NJUVOVVEDJARGQ-KBPBESRZSA-N 0 0 202.297 3.525 10 0 BHAERN CCO[C@@H]1C=CC[C@H](c2ccccc2)C1 ZINC000039099120 384103777 /nfs/dbraw/zinc/10/37/77/384103777.db2.gz NJUVOVVEDJARGQ-UONOGXRCSA-N 0 0 202.297 3.525 10 0 BHAERN CCO[C@H]1C=C(c2ccccc2)CCC1 ZINC000039099125 343383251 /nfs/dbraw/zinc/38/32/51/343383251.db2.gz YDLVSDIUBHMILR-CQSZACIVSA-N 0 0 202.297 3.659 10 0 BHAERN CCO[C@@H]1C=C(c2ccccc2)CCC1 ZINC000039099126 384104485 /nfs/dbraw/zinc/10/44/85/384104485.db2.gz YDLVSDIUBHMILR-AWEZNQCLSA-N 0 0 202.297 3.659 10 0 BHAERN CCOc1ccc([C@H]2CC=CCC2)cc1 ZINC000039099136 170564314 /nfs/dbraw/zinc/56/43/14/170564314.db2.gz QGXABPWSRGGRRZ-LBPRGKRZSA-N 0 0 202.297 3.909 10 0 BHAERN CCOc1ccc([C@@H]2CC=CCC2)cc1 ZINC000039099137 170559993 /nfs/dbraw/zinc/55/99/93/170559993.db2.gz QGXABPWSRGGRRZ-GFCCVEGCSA-N 0 0 202.297 3.909 10 0 BHAERN CCOc1ccc(-c2cccs2)cc1 ZINC000039099287 343383003 /nfs/dbraw/zinc/38/30/03/343383003.db2.gz GKCBFEYTCZJOCN-UHFFFAOYSA-N 0 0 204.294 3.814 10 0 BHAERN CCOC1CCC(c2ccccc2)CC1 ZINC000039099299 170331870 /nfs/dbraw/zinc/33/18/70/170331870.db2.gz KSXIJKKDOYBAKP-UHFFFAOYSA-N 0 0 204.313 3.749 10 0 BHAERN CCOc1ncccc1C1CCCCC1 ZINC000039099339 343383247 /nfs/dbraw/zinc/38/32/47/343383247.db2.gz ZNKOMRRPGBKWIY-UHFFFAOYSA-N 0 0 205.301 3.528 10 0 BHAERN CCOc1ccc(C2CCCCC2)cn1 ZINC000039099340 343383277 /nfs/dbraw/zinc/38/32/77/343383277.db2.gz PDOUYHUUJKCWQG-UHFFFAOYSA-N 0 0 205.301 3.528 10 0 BHAERN CCOc1ccc2oc(=S)ccc2c1 ZINC000039099415 170571276 /nfs/dbraw/zinc/57/12/76/170571276.db2.gz SBBCOWMZAILCGM-UHFFFAOYSA-N 0 0 206.266 3.561 10 0 BHAERN CCOc1ccc(-c2cccs2)s1 ZINC000039099704 343383474 /nfs/dbraw/zinc/38/34/74/343383474.db2.gz JZKJFBOGBNLYIV-UHFFFAOYSA-N 0 0 210.323 3.875 10 0 BHAERN CCO[C@@]1(C)C=CC(c2ccccc2)=CC1 ZINC000039099845 384102771 /nfs/dbraw/zinc/10/27/71/384102771.db2.gz BFECMVKFKJEGRI-HNNXBMFYSA-N 0 0 214.308 3.825 10 0 BHAERN CCO[C@]1(C)C=CC(c2ccccc2)=CC1 ZINC000039099846 343383538 /nfs/dbraw/zinc/38/35/38/343383538.db2.gz BFECMVKFKJEGRI-OAHLLOKOSA-N 0 0 214.308 3.825 10 0 BHAERN C/C=C/c1ccc2cccnc2c1OCC ZINC000039099998 187263132 /nfs/dbraw/zinc/26/31/32/187263132.db2.gz CCAASCAAAMAWCT-ZZXKWVIFSA-N 0 0 213.280 3.667 10 0 BHAERN CCOc1ccccc1Nc1ccccc1 ZINC000039100011 343383470 /nfs/dbraw/zinc/38/34/70/343383470.db2.gz ONCNKJXWBPWDMO-UHFFFAOYSA-N 0 0 213.280 3.829 10 0 BHAERN CCCc1ccnc2ccc(OCC)cc12 ZINC000039100126 343383622 /nfs/dbraw/zinc/38/36/22/343383622.db2.gz BBPABNWCHFYHMJ-UHFFFAOYSA-N 0 0 215.296 3.586 10 0 BHAERN CCOc1ccc(-c2ccccc2)cc1F ZINC000039100191 170531729 /nfs/dbraw/zinc/53/17/29/170531729.db2.gz FPKSRMJGPREREW-UHFFFAOYSA-N 0 0 216.255 3.891 10 0 BHAERN CCOc1cc(F)ccc1-c1ccccc1 ZINC000039100192 170523490 /nfs/dbraw/zinc/52/34/90/170523490.db2.gz OXCSNRTXOWLKGQ-UHFFFAOYSA-N 0 0 216.255 3.891 10 0 BHAERN CCO[C@@H]1C[C@H](C)Nc2cc(C)c(C)cc21 ZINC000039100520 384103277 /nfs/dbraw/zinc/10/32/77/384103277.db2.gz BCSKYIWRLXFXRD-SMDDNHRTSA-N 0 0 219.328 3.585 10 0 BHAERN CCO[C@H]1C[C@H](C)Nc2cc(C)c(C)cc21 ZINC000039100521 343383615 /nfs/dbraw/zinc/38/36/15/343383615.db2.gz BCSKYIWRLXFXRD-FZMZJTMJSA-N 0 0 219.328 3.585 10 0 BHAERN CCO[C@@H]1C[C@@H](C)Nc2cc(C)c(C)cc21 ZINC000039100522 384103065 /nfs/dbraw/zinc/10/30/65/384103065.db2.gz BCSKYIWRLXFXRD-BXUZGUMPSA-N 0 0 219.328 3.585 10 0 BHAERN CCO[C@H]1C[C@@H](C)Nc2cc(C)c(C)cc21 ZINC000039100523 343383461 /nfs/dbraw/zinc/38/34/61/343383461.db2.gz BCSKYIWRLXFXRD-RISCZKNCSA-N 0 0 219.328 3.585 10 0 BHAERN CCOc1cccc2c1NC(C)(C)C[C@@H]2C ZINC000039100555 343383844 /nfs/dbraw/zinc/38/38/44/343383844.db2.gz GOJXGQWVJPIGSO-JTQLQIEISA-N 0 0 219.328 3.783 10 0 BHAERN CCOc1cccc2c1NC(C)(C)C[C@H]2C ZINC000039100556 343383916 /nfs/dbraw/zinc/38/39/16/343383916.db2.gz GOJXGQWVJPIGSO-SNVBAGLBSA-N 0 0 219.328 3.783 10 0 BHAERN CCOc1nc(-c2ccccc2)sc1C ZINC000039100565 343383880 /nfs/dbraw/zinc/38/38/80/343383880.db2.gz CTTDYSANXCEYMY-UHFFFAOYSA-N 0 0 219.309 3.517 10 0 BHAERN CCOc1cccc2c1[C@H](C)CC(C)(C)N2 ZINC000039100568 170588326 /nfs/dbraw/zinc/58/83/26/170588326.db2.gz NACMFKJUENWONY-SNVBAGLBSA-N 0 0 219.328 3.783 10 0 BHAERN CCOc1cccc2c1[C@@H](C)CC(C)(C)N2 ZINC000039100569 343384078 /nfs/dbraw/zinc/38/40/78/343384078.db2.gz NACMFKJUENWONY-JTQLQIEISA-N 0 0 219.328 3.783 10 0 BHAERN CC[C@H]1CC=C(c2ccc(O)cc2)CC1 ZINC000039100831 384102839 /nfs/dbraw/zinc/10/28/39/384102839.db2.gz WEQQBNHGPCRLCT-NSHDSACASA-N 0 0 202.297 3.986 10 0 BHAERN CC[C@@H]1CC=C(c2ccc(O)cc2)CC1 ZINC000039100832 188290530 /nfs/dbraw/zinc/29/05/30/188290530.db2.gz WEQQBNHGPCRLCT-LLVKDONJSA-N 0 0 202.297 3.986 10 0 BHAERN CCC1CCC(c2ccc(N)cc2)CC1 ZINC000039100856 359987109 /nfs/dbraw/zinc/98/71/09/359987109.db2.gz WKLZTMGJVBEYCP-UHFFFAOYSA-N 0 0 203.329 3.953 10 0 BHAERN CCc1cc(C(=O)C(C)C)c(C(C)C)o1 ZINC000039101264 187255710 /nfs/dbraw/zinc/25/57/10/187255710.db2.gz ZKNWULMLTAWBFS-UHFFFAOYSA-N 0 0 208.301 3.804 10 0 BHAERN CCc1cccc(/C=C/c2ccccc2)n1 ZINC000039101339 384103536 /nfs/dbraw/zinc/10/35/36/384103536.db2.gz JUTJXWHQRJAWGL-VAWYXSNFSA-N 0 0 209.292 3.814 10 0 BHAERN CCc1sc(-c2cccs2)nc1C ZINC000039101346 172127791 /nfs/dbraw/zinc/12/77/91/172127791.db2.gz FUQUKUOZYIUEFK-UHFFFAOYSA-N 0 0 209.339 3.742 10 0 BHAERN CCc1ccnc(/C=C/c2ccccc2)c1 ZINC000039101347 343383918 /nfs/dbraw/zinc/38/39/18/343383918.db2.gz FGHMUQFLTSPJQI-CMDGGOBGSA-N 0 0 209.292 3.814 10 0 BHAERN CCc1cccc(-c2ccccc2)c1OC ZINC000039101602 384103167 /nfs/dbraw/zinc/10/31/67/384103167.db2.gz OLSWAYGSSAYNGV-UHFFFAOYSA-N 0 0 212.292 3.925 10 0 BHAERN CC[C@@]1(C)CCc2c3ccccc3n(C)c21 ZINC000039101691 171201987 /nfs/dbraw/zinc/20/19/87/171201987.db2.gz ZEHDZJOQKREMMF-HNNXBMFYSA-N 0 0 213.324 3.792 10 0 BHAERN CCc1ccc(Nc2cccc(O)c2)cc1 ZINC000039101703 517846711 /nfs/dbraw/zinc/84/67/11/517846711.db2.gz WRDGVSBWKRAFOS-UHFFFAOYSA-N 0 0 213.280 3.698 10 0 BHAERN CCc1ccc(Oc2ccccc2O)cc1 ZINC000039101751 384102775 /nfs/dbraw/zinc/10/27/75/384102775.db2.gz UXQREJVIYIDRHB-UHFFFAOYSA-N 0 0 214.264 3.747 10 0 BHAERN CCc1oc(-c2ccccc2)cc1C(C)=O ZINC000039101761 172110126 /nfs/dbraw/zinc/11/01/26/172110126.db2.gz WADIDPBPRVGPKM-UHFFFAOYSA-N 0 0 214.264 3.712 10 0 BHAERN CCC(=O)c1ssc(=S)c1CC ZINC000039102051 168259284 /nfs/dbraw/zinc/25/92/84/168259284.db2.gz OYUQYDVOZBMNLT-UHFFFAOYSA-N 0 0 218.368 3.694 10 0 BHAERN CC[C@H](C)c1cccc2c1OC(=O)[C@@H]2CC ZINC000039102072 384103210 /nfs/dbraw/zinc/10/32/10/384103210.db2.gz AINJZGLXKNHVCF-VHSXEESVSA-N 0 0 218.296 3.613 10 0 BHAERN CC[C@@H](C)c1cccc2c1OC(=O)[C@@H]2CC ZINC000039102073 384103361 /nfs/dbraw/zinc/10/33/61/384103361.db2.gz AINJZGLXKNHVCF-NXEZZACHSA-N 0 0 218.296 3.613 10 0 BHAERN CCc1ncc(-c2ccc(SC)cc2)o1 ZINC000039102158 172014783 /nfs/dbraw/zinc/01/47/83/172014783.db2.gz ADATZDJCPIIANE-UHFFFAOYSA-N 0 0 219.309 3.626 10 0 BHAERN CC[C@@]1(C)CCc2c(C)c(O)cc(C)c2O1 ZINC000039102219 171202200 /nfs/dbraw/zinc/20/22/00/171202200.db2.gz WYKZDJRMCZBYAA-AWEZNQCLSA-N 0 0 220.312 3.503 10 0 BHAERN CC[C@@]1(C)CCc2cc(O)c(C)c(C)c2O1 ZINC000039102221 171202496 /nfs/dbraw/zinc/20/24/96/171202496.db2.gz CEOXSQIOYUZJMK-AWEZNQCLSA-N 0 0 220.312 3.503 10 0 BHAERN CC[C@@]1(C)CCc2c(C)c(O)c(C)cc2O1 ZINC000039102223 171202514 /nfs/dbraw/zinc/20/25/14/171202514.db2.gz AJWYQTQUROAMER-AWEZNQCLSA-N 0 0 220.312 3.503 10 0 BHAERN CC[C@@]1(C)CCc2cc(O)cc(C)c2S1 ZINC000039102393 171202577 /nfs/dbraw/zinc/20/25/77/171202577.db2.gz ICHNMRZRXOLZTH-ZDUSSCGKSA-N 0 0 222.353 3.908 10 0 BHAERN CC[C@@]1(C)CCc2cc(O)c(C)cc2S1 ZINC000039102395 171203230 /nfs/dbraw/zinc/20/32/30/171203230.db2.gz JXKCVUNMEWJACO-ZDUSSCGKSA-N 0 0 222.353 3.908 10 0 BHAERN CC[C@@]1(C)CCc2c(C)c(O)ccc2S1 ZINC000039102397 171202257 /nfs/dbraw/zinc/20/22/57/171202257.db2.gz PEQRYGICVSTYRX-ZDUSSCGKSA-N 0 0 222.353 3.908 10 0 BHAERN CCc1cc(C(F)(F)F)c2ccccc2n1 ZINC000039102576 343384412 /nfs/dbraw/zinc/38/44/12/343384412.db2.gz SGRWPHBFNOVHEG-UHFFFAOYSA-N 0 0 225.213 3.816 10 0 BHAERN CCc1cc(C(F)(F)F)nc2ccccc12 ZINC000039102577 171756835 /nfs/dbraw/zinc/75/68/35/171756835.db2.gz AMMQGJCBZJJAGL-UHFFFAOYSA-N 0 0 225.213 3.816 10 0 BHAERN CCc1c(CO)ccc(C)c1-c1ccccc1 ZINC000039102632 343384371 /nfs/dbraw/zinc/38/43/71/343384371.db2.gz STTSEODYLPCDDT-UHFFFAOYSA-N 0 0 226.319 3.717 10 0 BHAERN CCc1ccc2c(c1)C(=O)c1cc(F)ccc1-2 ZINC000039102638 398075132 /nfs/dbraw/zinc/07/51/32/398075132.db2.gz NKZKSJYWWZEUNL-UHFFFAOYSA-N 0 0 226.250 3.600 10 0 BHAERN CCc1ccc(Cc2cc(C)ccc2O)cc1 ZINC000039102642 171814656 /nfs/dbraw/zinc/81/46/56/171814656.db2.gz ZCADTUYPVZVCIK-UHFFFAOYSA-N 0 0 226.319 3.854 10 0 BHAERN CCC1=C(c2ccccc2)[C@](O)(CC)CC=C1 ZINC000039102648 343384455 /nfs/dbraw/zinc/38/44/55/343384455.db2.gz KZMKRPYUGOFNED-INIZCTEOSA-N 0 0 228.335 3.951 10 0 BHAERN CCC1=C(c2ccccc2)[C@@](O)(CC)CC=C1 ZINC000039102649 168509073 /nfs/dbraw/zinc/50/90/73/168509073.db2.gz KZMKRPYUGOFNED-MRXNPFEDSA-N 0 0 228.335 3.951 10 0 BHAERN CCc1ccccc1Oc1cccc(C=O)c1 ZINC000039102661 384103743 /nfs/dbraw/zinc/10/37/43/384103743.db2.gz NTMOCMZZHKEWLS-UHFFFAOYSA-N 0 0 226.275 3.854 10 0 BHAERN CC[C@H]1CCC[C@H](C)N1C(=O)OC(C)(C)C ZINC000039102741 171625631 /nfs/dbraw/zinc/62/56/31/171625631.db2.gz LHWFXTJRKOMWEO-QWRGUYRKSA-N 0 0 227.348 3.575 10 0 BHAERN CC[C@H]1CCC[C@@H](C)N1C(=O)OC(C)(C)C ZINC000039102743 171622315 /nfs/dbraw/zinc/62/23/15/171622315.db2.gz LHWFXTJRKOMWEO-MNOVXSKESA-N 0 0 227.348 3.575 10 0 BHAERN CCc1ccc(OCc2ccccc2)cc1O ZINC000039102802 384102763 /nfs/dbraw/zinc/10/27/63/384102763.db2.gz HIMROPTTXFCLFS-UHFFFAOYSA-N 0 0 228.291 3.534 10 0 BHAERN CCc1c(O)c(-c2ccccc2)ccc1OC ZINC000039102814 171744907 /nfs/dbraw/zinc/74/49/07/171744907.db2.gz YCKIEIRCSYXGNE-UHFFFAOYSA-N 0 0 228.291 3.630 10 0 BHAERN CCC1C=CN(C(=O)Oc2ccccc2)C=C1 ZINC000039102881 343384299 /nfs/dbraw/zinc/38/42/99/343384299.db2.gz MJYIDPGEANSNQZ-UHFFFAOYSA-N 0 0 229.279 3.555 10 0 BHAERN CCc1ccc(Cc2cc(F)ccc2O)cc1 ZINC000039102955 384104074 /nfs/dbraw/zinc/10/40/74/384104074.db2.gz URGXXKKQQMCQID-UHFFFAOYSA-N 0 0 230.282 3.685 10 0 BHAERN Cc1ccc(Sc2ccccc2)cn1 ZINC000039105024 384102937 /nfs/dbraw/zinc/10/29/37/384102937.db2.gz VAAIBHYMWLUANI-UHFFFAOYSA-N 0 0 201.294 3.541 10 0 BHAERN CC1(C)C2CCC1(c1ccccn1)CC2 ZINC000039105029 384103141 /nfs/dbraw/zinc/10/31/41/384103141.db2.gz VFTRDVODTSYBCU-UHFFFAOYSA-N 0 0 201.313 3.549 10 0 BHAERN CCCC[C@H]1C=Cc2cccc(C)c2O1 ZINC000039105100 169013153 /nfs/dbraw/zinc/01/31/53/169013153.db2.gz HDXDNXFWCWDBCG-ZDUSSCGKSA-N 0 0 202.297 3.959 10 0 BHAERN Cc1nc2cc(C)c(C3CC3)cc2s1 ZINC000039105203 180078099 /nfs/dbraw/zinc/07/80/99/180078099.db2.gz UWACNWNTXQWMGK-UHFFFAOYSA-N 0 0 203.310 3.791 10 0 BHAERN CCCCCc1ccc(C=O)c(C)c1C ZINC000039105262 343384887 /nfs/dbraw/zinc/38/48/87/343384887.db2.gz KMBNEUQKGHNQBR-UHFFFAOYSA-N 0 0 204.313 3.849 10 0 BHAERN CC1CCC(C)(c2ccc(O)cc2)CC1 ZINC000039105274 168151954 /nfs/dbraw/zinc/15/19/54/168151954.db2.gz BFEWJDSIKIKUKU-UHFFFAOYSA-N 0 0 204.313 3.860 10 0 BHAERN Cc1ccc2c(c1)C(C)(C)OCC2(C)C ZINC000039105342 178944452 /nfs/dbraw/zinc/94/44/52/178944452.db2.gz YLWBWWQYGGLKEE-UHFFFAOYSA-N 0 0 204.313 3.538 10 0 BHAERN Cc1c2oc(C(C)(C)C)nc2ccc1F ZINC000039105557 177606454 /nfs/dbraw/zinc/60/64/54/177606454.db2.gz QFOCTPFAOAWHHG-UHFFFAOYSA-N 0 0 207.248 3.573 10 0 BHAERN Cc1nc(-c2ccc(F)cc2C)cs1 ZINC000039105630 384106375 /nfs/dbraw/zinc/10/63/75/384106375.db2.gz MKHASVSBHSLNMB-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN Cc1cccc(C)c1/C=C\c1ccncc1 ZINC000039105779 179028771 /nfs/dbraw/zinc/02/87/71/179028771.db2.gz KIEKLJSWUJPJTD-SREVYHEPSA-N 0 0 209.292 3.869 10 0 BHAERN Cc1ncccc1C(C)(C)c1ccccc1 ZINC000039109165 180215980 /nfs/dbraw/zinc/21/59/80/180215980.db2.gz KCTFJCVUGQCVQX-UHFFFAOYSA-N 0 0 211.308 3.716 10 0 BHAERN Cc1ccc(Cc2cccc(O)c2)c(C)c1 ZINC000039109321 178654388 /nfs/dbraw/zinc/65/43/88/178654388.db2.gz MAVLTSXMPFSFBD-UHFFFAOYSA-N 0 0 212.292 3.600 10 0 BHAERN COc1cc(C)ccc1Nc1ccccc1 ZINC000039109338 343384979 /nfs/dbraw/zinc/38/49/79/343384979.db2.gz MRNHYRXWLNNLQC-UHFFFAOYSA-N 0 0 213.280 3.747 10 0 BHAERN Cc1nc2ccc(C(C)(C)C)cc2nc1C ZINC000039109496 180089546 /nfs/dbraw/zinc/08/95/46/180089546.db2.gz WPSSBRDAKOKNQC-UHFFFAOYSA-N 0 0 214.312 3.544 10 0 BHAERN CC(=O)C[C@H](C)c1c(C)[nH]c2ccccc21 ZINC000039109631 188283407 /nfs/dbraw/zinc/28/34/07/188283407.db2.gz BVSCMZDQZHCPDH-VIFPVBQESA-N 0 0 215.296 3.559 10 0 BHAERN CC(=O)C[C@@H](C)c1c(C)[nH]c2ccccc21 ZINC000039109632 187592656 /nfs/dbraw/zinc/59/26/56/187592656.db2.gz BVSCMZDQZHCPDH-SECBINFHSA-N 0 0 215.296 3.559 10 0 BHAERN CC1(C)CC2(c3ccccn3)CCC1CC2 ZINC000039109713 167889572 /nfs/dbraw/zinc/88/95/72/167889572.db2.gz WBFMYQTUHWPYTI-UHFFFAOYSA-N 0 0 215.340 3.940 10 0 BHAERN Cc1cc2ccn3c2c(c1)-c1ccccc1C3 ZINC000039110153 178295046 /nfs/dbraw/zinc/29/50/46/178295046.db2.gz QQAWZTSUOCBFKS-UHFFFAOYSA-N 0 0 219.287 3.978 10 0 BHAERN Cc1cc2c3c(c1)-c1ccccc1CN3CC2 ZINC000039110364 178293434 /nfs/dbraw/zinc/29/34/34/178293434.db2.gz LKNHIJXLNWJIMO-UHFFFAOYSA-N 0 0 221.303 3.538 10 0 BHAERN Cc1cccc(C)c1N1CCc2ccccc21 ZINC000039110532 179039608 /nfs/dbraw/zinc/03/96/08/179039608.db2.gz MIOPZLGKGGORNG-UHFFFAOYSA-N 0 0 223.319 3.998 10 0 BHAERN Cc1ccc2c(c1)N(c1ccccc1)N=CN2 ZINC000039110609 132346659 /nfs/dbraw/zinc/34/66/59/132346659.db2.gz BYRQLMSPMDADQW-UHFFFAOYSA-N 0 0 223.279 3.502 10 0 BHAERN Cc1cc2c(c(C)c1)[C@@H](c1ccccc1)CO2 ZINC000039110641 384105959 /nfs/dbraw/zinc/10/59/59/384105959.db2.gz HIRHUDQWJXHYIX-CQSZACIVSA-N 0 0 224.303 3.828 10 0 BHAERN Cc1cc2c(c(C)c1)[C@H](c1ccccc1)CO2 ZINC000039110642 384106492 /nfs/dbraw/zinc/10/64/92/384106492.db2.gz HIRHUDQWJXHYIX-AWEZNQCLSA-N 0 0 224.303 3.828 10 0 BHAERN CC1(C)COC(CC[C@H]2CC=CCC2)OC1 ZINC000039110742 187764702 /nfs/dbraw/zinc/76/47/02/187764702.db2.gz RTWQBSZQUOBJCW-LBPRGKRZSA-N 0 0 224.344 3.522 10 0 BHAERN CC1(C)COC(CC[C@@H]2CC=CCC2)OC1 ZINC000039110744 187764798 /nfs/dbraw/zinc/76/47/98/187764798.db2.gz RTWQBSZQUOBJCW-GFCCVEGCSA-N 0 0 224.344 3.522 10 0 BHAERN COc1cc(C)cc(/C=C\c2ccncc2)c1 ZINC000039110806 343385453 /nfs/dbraw/zinc/38/54/53/343385453.db2.gz MXTOAFSPIHNRRE-ARJAWSKDSA-N 0 0 225.291 3.569 10 0 BHAERN COc1ccccc1/C=C\c1ccncc1C ZINC000039110817 175315667 /nfs/dbraw/zinc/31/56/67/175315667.db2.gz UFRRPMRIBKPYES-FPLPWBNLSA-N 0 0 225.291 3.569 10 0 BHAERN Cc1ccc(OC(=N)c2ccc(C)cc2)cc1 ZINC000039110872 384106203 /nfs/dbraw/zinc/10/62/03/384106203.db2.gz GQRKCZQEUNXXTR-UHFFFAOYSA-N 0 0 225.291 3.708 10 0 BHAERN Cc1cc(C)c(-c2ccccc2)c(C)c1CO ZINC000039110910 177834422 /nfs/dbraw/zinc/83/44/22/177834422.db2.gz CUIPTWDFWWGDIA-UHFFFAOYSA-N 0 0 226.319 3.771 10 0 BHAERN Cc1cc(C)c(Oc2ccccc2)c(C)c1N ZINC000039110974 384106438 /nfs/dbraw/zinc/10/64/38/384106438.db2.gz ZRUFRKFASIDNSG-UHFFFAOYSA-N 0 0 227.307 3.986 10 0 BHAERN Cc1ccc2c(n1)S[C@H](c1ccccc1)C2 ZINC000039111046 343385452 /nfs/dbraw/zinc/38/54/52/343385452.db2.gz FEZIQVSKXBTDBS-ZDUSSCGKSA-N 0 0 227.332 3.780 10 0 BHAERN Cc1ccc2c(n1)S[C@@H](c1ccccc1)C2 ZINC000039111047 343385373 /nfs/dbraw/zinc/38/53/73/343385373.db2.gz FEZIQVSKXBTDBS-CYBMUJFWSA-N 0 0 227.332 3.780 10 0 BHAERN Cc1ccc(SCCc2ccccc2)cn1 ZINC000039111130 384106579 /nfs/dbraw/zinc/10/65/79/384106579.db2.gz GAEGOZTUNHFVIR-UHFFFAOYSA-N 0 0 229.348 3.725 10 0 BHAERN Cc1csc2c(O)c(-c3ccccc3)cn12 ZINC000039111153 343385308 /nfs/dbraw/zinc/38/53/08/343385308.db2.gz UDGOYHAZVLHKQH-UHFFFAOYSA-N 0 0 229.304 3.682 10 0 BHAERN Cc1nc2c(ccn2C2CCCCC2)c(C)n1 ZINC000039111165 179922021 /nfs/dbraw/zinc/92/20/21/179922021.db2.gz WQFZWJNYLRDVOG-UHFFFAOYSA-N 0 0 229.327 3.553 10 0 BHAERN CC(=O)Nc1c(C)cccc1C1=CCCCC1 ZINC000039111193 526908409 /nfs/dbraw/zinc/90/84/09/526908409.db2.gz MSBPREXJPQJIFS-UHFFFAOYSA-N 0 0 229.323 3.911 10 0 BHAERN FC(F)CCCCOc1ccccc1 ZINC000039115515 180901259 /nfs/dbraw/zinc/90/12/59/180901259.db2.gz PIFVVEDKSWKNTA-UHFFFAOYSA-N 0 0 200.228 3.501 10 0 BHAERN CN1c2ccccc2S[C@@H]1Cc1ccccc1 ZINC000039118897 173208406 /nfs/dbraw/zinc/20/84/06/173208406.db2.gz HDZPTKFZNASYQJ-OAHLLOKOSA-N 0 0 241.359 3.797 10 0 BHAERN CN1c2ccccc2S[C@H]1Cc1ccccc1 ZINC000039118900 173208731 /nfs/dbraw/zinc/20/87/31/173208731.db2.gz HDZPTKFZNASYQJ-HNNXBMFYSA-N 0 0 241.359 3.797 10 0 BHAERN CN1c2ccccc2S[C@@H]1c1ccccc1 ZINC000039118923 173208135 /nfs/dbraw/zinc/20/81/35/173208135.db2.gz KZRWYPLMYWSJFP-CQSZACIVSA-N 0 0 227.332 3.927 10 0 BHAERN CN1c2ccccc2S[C@H]1c1ccccc1 ZINC000039118925 173208663 /nfs/dbraw/zinc/20/86/63/173208663.db2.gz KZRWYPLMYWSJFP-AWEZNQCLSA-N 0 0 227.332 3.927 10 0 BHAERN COc1cc(C)cc(OC)c1-c1ccccc1 ZINC000039119060 343385419 /nfs/dbraw/zinc/38/54/19/343385419.db2.gz SZZFCHONPRQPSX-UHFFFAOYSA-N 0 0 228.291 3.679 10 0 BHAERN CC1(C)CC=C(c2ccccc2)C(=O)C1 ZINC000039119074 384106687 /nfs/dbraw/zinc/10/66/87/384106687.db2.gz IMELJLFCNWANDY-UHFFFAOYSA-N 0 0 200.281 3.942 10 0 BHAERN CCOc1cc(O)c(C)cc1-c1ccccc1 ZINC000039119093 343385467 /nfs/dbraw/zinc/38/54/67/343385467.db2.gz ZHITVJRKDCPSSK-UHFFFAOYSA-N 0 0 228.291 3.766 10 0 BHAERN CCc1cc(-c2ccccc2)c(O)c(CC)c1O ZINC000039119102 343385370 /nfs/dbraw/zinc/38/53/70/343385370.db2.gz NUJOUZGSJNPXQB-UHFFFAOYSA-N 0 0 242.318 3.890 10 0 BHAERN CC(C)c1cc(-c2ccccc2)c(O)cc1O ZINC000039119106 343385289 /nfs/dbraw/zinc/38/52/89/343385289.db2.gz QHCGLMXUVAXJQF-UHFFFAOYSA-N 0 0 228.291 3.888 10 0 BHAERN CCC1(CC)C(=O)C(c2ccccc2)C=C[C@H]1O ZINC000039119108 384105370 /nfs/dbraw/zinc/10/53/70/384105370.db2.gz RAIJZOPVLSPJMI-CQSZACIVSA-N 0 0 244.334 3.693 10 0 BHAERN CCC1(CC)C(=O)C(c2ccccc2)C=C[C@@H]1O ZINC000039119110 384106736 /nfs/dbraw/zinc/10/67/36/384106736.db2.gz RAIJZOPVLSPJMI-AWEZNQCLSA-N 0 0 244.334 3.693 10 0 BHAERN COc1cc(C)c(-c2ccccc2)c(OC)c1 ZINC000039119133 343385324 /nfs/dbraw/zinc/38/53/24/343385324.db2.gz TXVWSGFFMADCIC-UHFFFAOYSA-N 0 0 228.291 3.679 10 0 BHAERN Cc1cccc(-c2cc(=O)c3ccccc3o2)c1 ZINC000039119553 343385464 /nfs/dbraw/zinc/38/54/64/343385464.db2.gz WJGAPNSNJXZBPQ-UHFFFAOYSA-N 0 0 236.270 3.768 10 0 BHAERN CC(=O)CC(C)(C)Sc1cccc(C)c1 ZINC000039119663 347179248 /nfs/dbraw/zinc/17/92/48/347179248.db2.gz BHUNCNFZZNWQEZ-UHFFFAOYSA-N 0 0 222.353 3.845 10 0 BHAERN c1ccc(Nc2cccc3cnccc32)cc1 ZINC000039119796 384105940 /nfs/dbraw/zinc/10/59/40/384105940.db2.gz DOHVVKMJNAQILD-UHFFFAOYSA-N 0 0 220.275 3.978 10 0 BHAERN Oc1cccc([C@H]2OCc3ccccc3S2)c1 ZINC000039120055 183294002 /nfs/dbraw/zinc/29/40/02/183294002.db2.gz QPAQTHBZEHTUTG-AWEZNQCLSA-N 0 0 244.315 3.713 10 0 BHAERN Oc1cccc([C@@H]2OCc3ccccc3S2)c1 ZINC000039120057 183294875 /nfs/dbraw/zinc/29/48/75/183294875.db2.gz QPAQTHBZEHTUTG-CQSZACIVSA-N 0 0 244.315 3.713 10 0 BHAERN COc1ccc2c(c1)CC[C@H](c1ccccc1)O2 ZINC000039120130 175209609 /nfs/dbraw/zinc/20/96/09/175209609.db2.gz KTNVJVMGXMJRCR-OAHLLOKOSA-N 0 0 240.302 3.762 10 0 BHAERN COc1ccc2c(c1)CC[C@@H](c1ccccc1)O2 ZINC000039120132 175209393 /nfs/dbraw/zinc/20/93/93/175209393.db2.gz KTNVJVMGXMJRCR-HNNXBMFYSA-N 0 0 240.302 3.762 10 0 BHAERN Cc1ccc(/N=C/c2ccc(Cl)cc2)nc1 ZINC000039120495 347179620 /nfs/dbraw/zinc/17/96/20/347179620.db2.gz DSBBEXYBLWEOPO-CXUHLZMHSA-N 0 0 230.698 3.794 10 0 BHAERN c1ccc(-c2cccc(-c3ncccn3)c2)cc1 ZINC000039121256 183379180 /nfs/dbraw/zinc/37/91/80/183379180.db2.gz CIHXPMHUOQCNHZ-UHFFFAOYSA-N 0 0 232.286 3.811 10 0 BHAERN c1ccc(-c2ccc(-c3ncccn3)cc2)cc1 ZINC000039121264 183379095 /nfs/dbraw/zinc/37/90/95/183379095.db2.gz LIGKFDDHPKKPFY-UHFFFAOYSA-N 0 0 232.286 3.811 10 0 BHAERN COC(=O)c1ccccc1Nc1cccc(C)c1 ZINC000039121586 347179577 /nfs/dbraw/zinc/17/95/77/347179577.db2.gz ZYOHSIZNMBILAD-UHFFFAOYSA-N 0 0 241.290 3.525 10 0 BHAERN Cc1ccc2ccccc2c1C(=O)NC(C)(C)C ZINC000039121610 347179317 /nfs/dbraw/zinc/17/93/17/347179317.db2.gz RAYIXYYAELYHSV-UHFFFAOYSA-N 0 0 241.334 3.677 10 0 BHAERN O=C1C[C@H](c2ccc(F)cc2)c2cccc(F)c21 ZINC000039121921 347179473 /nfs/dbraw/zinc/17/94/73/347179473.db2.gz ATNGPXKSJWYBOL-GFCCVEGCSA-N 0 0 244.240 3.683 10 0 BHAERN O=C1C[C@@H](c2ccc(F)cc2)c2cccc(F)c21 ZINC000039121922 347179594 /nfs/dbraw/zinc/17/95/94/347179594.db2.gz ATNGPXKSJWYBOL-LBPRGKRZSA-N 0 0 244.240 3.683 10 0 BHAERN CC(C)CC(=O)c1ccccc1N1CCCCC1 ZINC000039122030 347179598 /nfs/dbraw/zinc/17/95/98/347179598.db2.gz OIKBZKBTRRRBMK-UHFFFAOYSA-N 0 0 245.366 3.906 10 0 BHAERN c1cc2c(cncc2-c2ccccc2)s1 ZINC000039123430 183380824 /nfs/dbraw/zinc/38/08/24/183380824.db2.gz ZFWXVTMVYYYHCO-UHFFFAOYSA-N 0 0 211.289 3.963 10 0 BHAERN Nc1ccc2c(-c3cccnc3)csc2c1 ZINC000039123432 343385846 /nfs/dbraw/zinc/38/58/46/343385846.db2.gz CJUPSKXJVOYUOW-UHFFFAOYSA-N 0 0 226.304 3.546 10 0 BHAERN CC(C)c1nn2ccccc2c1-c1ccccn1 ZINC000039124183 343385841 /nfs/dbraw/zinc/38/58/41/343385841.db2.gz QQQRLPPGWOJZFN-UHFFFAOYSA-N 0 0 237.306 3.520 10 0 BHAERN CCn1c(=S)cc(C)c2ccccc21 ZINC000039124849 172133717 /nfs/dbraw/zinc/13/37/17/172133717.db2.gz LPFJBFQOWNDNQQ-UHFFFAOYSA-N 0 0 203.310 3.699 10 0 BHAERN CN1CCCCCCCCCCC1=S ZINC000039124866 188476308 /nfs/dbraw/zinc/47/63/08/188476308.db2.gz HISLQPURLFWKNI-UHFFFAOYSA-N 0 0 213.390 3.770 10 0 BHAERN Cn1c(=S)ccc2cc(Cl)ccc21 ZINC000039124867 343385824 /nfs/dbraw/zinc/38/58/24/343385824.db2.gz FATPYETYUGXVNV-UHFFFAOYSA-N 0 0 209.701 3.561 10 0 BHAERN Cc1ccc(=S)n(-c2ccccc2)c1 ZINC000039124918 178361908 /nfs/dbraw/zinc/36/19/08/178361908.db2.gz LLTUKCIPMRSWGS-UHFFFAOYSA-N 0 0 201.294 3.515 10 0 BHAERN S=c1ccccn1C(Cl)(Cl)Cl ZINC000039125038 183314716 /nfs/dbraw/zinc/31/47/16/183314716.db2.gz FCRCKVOFMFQLSP-UHFFFAOYSA-N 0 0 228.531 3.502 10 0 BHAERN Cc1cccc2nc(C(C)(C)C)sc21 ZINC000039149341 179229069 /nfs/dbraw/zinc/22/90/69/179229069.db2.gz XHYYWHILMDOMFI-UHFFFAOYSA-N 0 0 205.326 3.902 10 0 BHAERN O=Cc1cc2cc(Cl)cc(Cl)c2o1 ZINC000039149749 388408387 /nfs/dbraw/zinc/40/83/87/388408387.db2.gz MIIRMTCUUGENPA-UHFFFAOYSA-N 0 0 215.035 3.552 10 0 BHAERN CCC(=O)c1ccc(C)cc1-c1ccccn1 ZINC000039150272 168255252 /nfs/dbraw/zinc/25/52/52/168255252.db2.gz POEJAFCKOBHTMS-UHFFFAOYSA-N 0 0 225.291 3.650 10 0 BHAERN CC(C)(F)CCCCCO[C@@H]1CCCCO1 ZINC000039150694 347181386 /nfs/dbraw/zinc/18/13/86/347181386.db2.gz YEFRALSIWUIQJO-LBPRGKRZSA-N 0 0 232.339 3.838 10 0 BHAERN CC(C)(F)CCCCCO[C@H]1CCCCO1 ZINC000039150695 347181156 /nfs/dbraw/zinc/18/11/56/347181156.db2.gz YEFRALSIWUIQJO-GFCCVEGCSA-N 0 0 232.339 3.838 10 0 BHAERN COc1c(C)cc2cc(N(C)C)sc2c1C ZINC000039150882 347178630 /nfs/dbraw/zinc/17/86/30/347178630.db2.gz DUJUNOQEKPTNBK-UHFFFAOYSA-N 0 0 235.352 3.593 10 0 BHAERN c1cc(N2CCCCC2)ccc1N1CCCCC1 ZINC000039151426 132346603 /nfs/dbraw/zinc/34/66/03/132346603.db2.gz UWUDSNLALSQANA-UHFFFAOYSA-N 0 0 244.382 3.667 10 0 BHAERN CCCCC(=O)CCCNc1ccccc1 ZINC000039169867 358222119 /nfs/dbraw/zinc/22/21/19/358222119.db2.gz UXZIKTDRAAQVJS-UHFFFAOYSA-N 0 0 219.328 3.638 10 0 BHAERN CCCCc1[nH]nc2c1CCc1ccccc1-2 ZINC000039170308 347182839 /nfs/dbraw/zinc/18/28/39/347182839.db2.gz QVQIOVURFOUHFX-UHFFFAOYSA-N 0 0 226.323 3.518 10 0 BHAERN CC(=O)c1cccc(Cc2ccccc2F)c1 ZINC000039170367 347182746 /nfs/dbraw/zinc/18/27/46/347182746.db2.gz GAKGEOAHSDWYMC-UHFFFAOYSA-N 0 0 228.266 3.619 10 0 BHAERN O=C(C=Cc1ccc(F)cc1)Cc1ccccc1 ZINC000039171000 350112996 /nfs/dbraw/zinc/11/29/96/350112996.db2.gz GMWTZSROCVYCBN-DHZHZOJOSA-N 0 0 240.277 3.651 10 0 BHAERN Cc1ccc(-c2cc(-c3ccccc3N)n[nH]2)cc1 ZINC000039171546 358219916 /nfs/dbraw/zinc/21/99/16/358219916.db2.gz OYTQLNAPHLRBSL-UHFFFAOYSA-N 0 0 249.317 3.634 10 0 BHAERN CO/C=C/[C@H]1c2ccccc2C=C[C@@H]1C ZINC000039185771 368329050 /nfs/dbraw/zinc/32/90/50/368329050.db2.gz GONGISLQNZGONJ-IMYBMRPDSA-N 0 0 200.281 3.593 10 0 BHAERN CC[C@@H]1CCc2cc(C(C)=O)ccc2S1 ZINC000039186658 368328925 /nfs/dbraw/zinc/32/89/25/368328925.db2.gz JZKIZPBQNJSPBN-GFCCVEGCSA-N 0 0 220.337 3.706 10 0 BHAERN c1[nH]c2ccccc2c1CNc1ccccc1 ZINC000039186753 183417363 /nfs/dbraw/zinc/41/73/63/183417363.db2.gz OGEKUWRZPVZBGG-UHFFFAOYSA-N 0 0 222.291 3.780 10 0 BHAERN O=C1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000039187076 358219887 /nfs/dbraw/zinc/21/98/87/358219887.db2.gz PFOCHMMKUKXCFN-UHFFFAOYSA-N 0 0 231.270 3.534 10 0 BHAERN Cc1ccccc1C=C1CCC2(CC1)OCCO2 ZINC000039187788 347183814 /nfs/dbraw/zinc/18/38/14/347183814.db2.gz NHDIGKQNLCGXGU-UHFFFAOYSA-N 0 0 244.334 3.696 10 0 BHAERN CCCC(=O)c1ccc2c(c1)CCCN2C(C)C ZINC000039187868 347183826 /nfs/dbraw/zinc/18/38/26/347183826.db2.gz SFSGPEOTIWUXSF-UHFFFAOYSA-N 0 0 245.366 3.830 10 0 BHAERN Clc1cc(Cl)nc(-c2ccsc2)n1 ZINC000039188559 346198410 /nfs/dbraw/zinc/19/84/10/346198410.db2.gz WMXWSYFPZBIKAM-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN CC(C)(C)c1nc2ccccc2nc1Cl ZINC000039188655 346198424 /nfs/dbraw/zinc/19/84/24/346198424.db2.gz HCWOOULLNKJZHT-UHFFFAOYSA-N 0 0 220.703 3.581 10 0 BHAERN Cc1ccc2c(c1)C(=O)Cc1ccccc1S2 ZINC000039190013 368328537 /nfs/dbraw/zinc/32/85/37/368328537.db2.gz DYOYSRWXPYVAIP-UHFFFAOYSA-N 0 0 240.327 3.885 10 0 BHAERN O=C1c2ccccc2CCc2ccc(Cl)cc21 ZINC000039193730 368328871 /nfs/dbraw/zinc/32/88/71/368328871.db2.gz IXNZARLZBMCANF-UHFFFAOYSA-N 0 0 242.705 3.670 10 0 BHAERN Clc1nc(-c2ccco2)nc2sccc21 ZINC000039193950 372901076 /nfs/dbraw/zinc/90/10/76/372901076.db2.gz WDTTYXVVVBLUFZ-UHFFFAOYSA-N 0 0 236.683 3.605 10 0 BHAERN Oc1ccccc1-c1cc2ccccc2o1 ZINC000039194124 183298908 /nfs/dbraw/zinc/29/89/08/183298908.db2.gz SFIYREWIDLYVBB-UHFFFAOYSA-N 0 0 210.232 3.805 10 0 BHAERN Oc1ccc2oc(-c3ccccc3)cc2c1 ZINC000039199031 183286638 /nfs/dbraw/zinc/28/66/38/183286638.db2.gz BFIZUNWNPFYZEX-UHFFFAOYSA-N 0 0 210.232 3.805 10 0 BHAERN O=Cc1ccc2c(c1)Nc1ccccc1S2 ZINC000039199445 347182025 /nfs/dbraw/zinc/18/20/25/347182025.db2.gz NKQOCCPPNDPRGF-UHFFFAOYSA-N 0 0 227.288 3.707 10 0 BHAERN Oc1ccc(Cl)cc1-c1nc2ccccc2o1 ZINC000039202856 347181913 /nfs/dbraw/zinc/18/19/13/347181913.db2.gz QBWHQMNXBZFAAF-UHFFFAOYSA-N 0 0 245.665 3.854 10 0 BHAERN C[C@@]12CCCc3c4ccccc4n(c31)C(=O)CC2 ZINC000039202859 347182065 /nfs/dbraw/zinc/18/20/65/347182065.db2.gz YGGGDXREJFBOAH-INIZCTEOSA-N 0 0 239.318 3.669 10 0 BHAERN C[C@]12CCCc3c4ccccc4n(c31)C(=O)CC2 ZINC000039202860 347182000 /nfs/dbraw/zinc/18/20/00/347182000.db2.gz YGGGDXREJFBOAH-MRXNPFEDSA-N 0 0 239.318 3.669 10 0 BHAERN OCCCCCOc1ccc(Cl)cc1Cl ZINC000039203112 322830243 /nfs/dbraw/zinc/83/02/43/322830243.db2.gz HUWLATZPJPWKTJ-UHFFFAOYSA-N 0 0 249.137 3.535 10 0 BHAERN CC(C)(C)c1cc2ccccc2cc1O ZINC000039204122 631917736 /nfs/dbraw/zinc/91/77/36/631917736.db2.gz QDJWFVOKZOKEQH-UHFFFAOYSA-N 0 0 200.281 3.843 10 0 BHAERN Clc1ccc(Cn2ncc3ccccc32)cc1 ZINC000039205757 358219251 /nfs/dbraw/zinc/21/92/51/358219251.db2.gz MXOQNSGYKQUOKK-UHFFFAOYSA-N 0 0 242.709 3.738 10 0 BHAERN CCc1ccccc1C(=O)c1ccccc1C ZINC000039208196 346240428 /nfs/dbraw/zinc/24/04/28/346240428.db2.gz QIXTTWPRPFRBPE-UHFFFAOYSA-N 0 0 224.303 3.788 10 0 BHAERN CCCC[C@H](C(=O)OC)c1ccccc1Cl ZINC000039209803 346240175 /nfs/dbraw/zinc/24/01/75/346240175.db2.gz CYFZXINIMIKNAC-NSHDSACASA-N 0 0 240.730 3.787 10 0 BHAERN CCCC[C@@H](C(=O)OC)c1ccccc1Cl ZINC000039209804 346240608 /nfs/dbraw/zinc/24/06/08/346240608.db2.gz CYFZXINIMIKNAC-LLVKDONJSA-N 0 0 240.730 3.787 10 0 BHAERN CC[C@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000039209827 343121417 /nfs/dbraw/zinc/12/14/17/343121417.db2.gz HBUFVPKQFWESRH-QMMMGPOBSA-N 0 0 247.121 3.660 10 0 BHAERN CC[C@@H](C(=O)OC)c1ccc(Cl)cc1Cl ZINC000039209828 343121512 /nfs/dbraw/zinc/12/15/12/343121512.db2.gz HBUFVPKQFWESRH-MRVPVSSYSA-N 0 0 247.121 3.660 10 0 BHAERN CCCC[C@@H](CO)c1ccccc1Cl ZINC000039209847 343121426 /nfs/dbraw/zinc/12/14/26/343121426.db2.gz IUBIXWYSLUWEBI-JTQLQIEISA-N 0 0 212.720 3.606 10 0 BHAERN CCCC[C@H](CO)c1ccccc1Cl ZINC000039209848 346252708 /nfs/dbraw/zinc/25/27/08/346252708.db2.gz IUBIXWYSLUWEBI-SNVBAGLBSA-N 0 0 212.720 3.606 10 0 BHAERN CCCC[C@@H](CO)c1ccc(Cl)cc1 ZINC000039209864 346252955 /nfs/dbraw/zinc/25/29/55/346252955.db2.gz KFEHKYNGKQJSTP-NSHDSACASA-N 0 0 212.720 3.606 10 0 BHAERN CCCC[C@H](CO)c1ccc(Cl)cc1 ZINC000039209865 346252672 /nfs/dbraw/zinc/25/26/72/346252672.db2.gz KFEHKYNGKQJSTP-LLVKDONJSA-N 0 0 212.720 3.606 10 0 BHAERN Oc1cccc2oc(-c3ccccc3)cc21 ZINC000039212959 183297978 /nfs/dbraw/zinc/29/79/78/183297978.db2.gz MXQHXMRSHFXFHT-UHFFFAOYSA-N 0 0 210.232 3.805 10 0 BHAERN Cc1ccc(-c2nc3ccccc3s2)nc1 ZINC000039213030 368328724 /nfs/dbraw/zinc/32/87/24/368328724.db2.gz BMYYRUGPJYRNCT-UHFFFAOYSA-N 0 0 226.304 3.667 10 0 BHAERN CC(=O)c1ccc(Cl)c(C)c1Cl ZINC000039219501 372908111 /nfs/dbraw/zinc/90/81/11/372908111.db2.gz BDLCSODBACKBBK-UHFFFAOYSA-N 0 0 203.068 3.504 10 0 BHAERN CCCC(=O)c1ccc(OC)c(Cl)c1Cl ZINC000039220273 346279627 /nfs/dbraw/zinc/27/96/27/346279627.db2.gz NLWYCNCBSFKVBG-UHFFFAOYSA-N 0 0 247.121 3.985 10 0 BHAERN CC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000039220878 187263172 /nfs/dbraw/zinc/26/31/72/187263172.db2.gz JXNXRWBHXQXQCQ-UHFFFAOYSA-N 0 0 237.711 3.666 10 0 BHAERN C[C@@H]1CC(=O)c2cc(Cl)cc(Cl)c21 ZINC000039222162 176050721 /nfs/dbraw/zinc/05/07/21/176050721.db2.gz SQLKXPJWMQIEEY-RXMQYKEDSA-N 0 0 215.079 3.683 10 0 BHAERN C[C@H]1CC(=O)c2cc(Cl)cc(Cl)c21 ZINC000039222163 177063065 /nfs/dbraw/zinc/06/30/65/177063065.db2.gz SQLKXPJWMQIEEY-YFKPBYRVSA-N 0 0 215.079 3.683 10 0 BHAERN O=Cc1ccc2c(c1)sc1ccccc12 ZINC000039223292 372910475 /nfs/dbraw/zinc/91/04/75/372910475.db2.gz FFBCUIZXWJMUDW-UHFFFAOYSA-N 0 0 212.273 3.867 10 0 BHAERN Clc1cccc(-c2nc3ncccc3o2)c1 ZINC000039233179 358486108 /nfs/dbraw/zinc/48/61/08/358486108.db2.gz IZLJFLHRRKXNML-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN CSc1ccccc1-c1nc2ncccc2o1 ZINC000039233183 343387320 /nfs/dbraw/zinc/38/73/20/343387320.db2.gz RCWZTQRUJOVXGC-UHFFFAOYSA-N 0 0 242.303 3.612 10 0 BHAERN Clc1ccc(-c2nc3cccnc3o2)cc1 ZINC000039233190 372911356 /nfs/dbraw/zinc/91/13/56/372911356.db2.gz YSJNMDBVFPXECZ-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN Clc1ccccc1-c1nc2cccnc2o1 ZINC000039233195 343122237 /nfs/dbraw/zinc/12/22/37/343122237.db2.gz AHMXDCWHFMNRQJ-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN C[C@H]1C(=O)c2ccccc2[C@H]1c1ccccc1 ZINC000039234287 372912209 /nfs/dbraw/zinc/91/22/09/372912209.db2.gz FLPZZENICFEYJS-IAQYHMDHSA-N 0 0 222.287 3.651 10 0 BHAERN C[C@@H]1C(=O)c2ccccc2[C@H]1c1ccccc1 ZINC000039234288 372911963 /nfs/dbraw/zinc/91/19/63/372911963.db2.gz FLPZZENICFEYJS-XHDPSFHLSA-N 0 0 222.287 3.651 10 0 BHAERN C[C@H]1C(=O)c2ccccc2[C@@H]1c1ccccc1 ZINC000039234289 372911933 /nfs/dbraw/zinc/91/19/33/372911933.db2.gz FLPZZENICFEYJS-ABAIWWIYSA-N 0 0 222.287 3.651 10 0 BHAERN C[C@@H]1C(=O)c2ccccc2[C@@H]1c1ccccc1 ZINC000039234290 372912219 /nfs/dbraw/zinc/91/22/19/372912219.db2.gz FLPZZENICFEYJS-NHYWBVRUSA-N 0 0 222.287 3.651 10 0 BHAERN CNc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000039234860 384110941 /nfs/dbraw/zinc/11/09/41/384110941.db2.gz BUHUYUPWOMJGHP-UHFFFAOYSA-N 0 0 249.317 3.581 10 0 BHAERN O=Cc1cccc(/C=C/c2ccccc2)c1 ZINC000039238795 347187448 /nfs/dbraw/zinc/18/74/48/347187448.db2.gz KNWATVMKKGUFEB-MDZDMXLPSA-N 0 0 208.260 3.670 10 0 BHAERN CCCC[C@@H](CC)C(OCC)OCC ZINC000039238886 343387474 /nfs/dbraw/zinc/38/74/74/343387474.db2.gz YAKJLGHDDRZRSJ-LLVKDONJSA-N 0 0 202.338 3.602 10 0 BHAERN CCCC[C@H](CC)C(OCC)OCC ZINC000039238887 372913074 /nfs/dbraw/zinc/91/30/74/372913074.db2.gz YAKJLGHDDRZRSJ-NSHDSACASA-N 0 0 202.338 3.602 10 0 BHAERN Cc1cc2nc(-c3ccccc3)[nH]c(=S)c2[nH]1 ZINC000039239883 346566181 /nfs/dbraw/zinc/56/61/81/346566181.db2.gz XFCYHLBLGZKSEF-UHFFFAOYSA-N 0 0 241.319 3.596 10 0 BHAERN C[C@H]1Nc2ccccc2N2CCc3cccc1c32 ZINC000039240944 347187849 /nfs/dbraw/zinc/18/78/49/347187849.db2.gz WZCBIIIXZOUGNB-LLVKDONJSA-N 0 0 236.318 3.867 10 0 BHAERN C[C@@H]1Nc2ccccc2N2CCc3cccc1c32 ZINC000039240945 347187690 /nfs/dbraw/zinc/18/76/90/347187690.db2.gz WZCBIIIXZOUGNB-NSHDSACASA-N 0 0 236.318 3.867 10 0 BHAERN CC(C)(C)c1c[nH]c(=S)n1Cc1ccccc1 ZINC000039240962 372914861 /nfs/dbraw/zinc/91/48/61/372914861.db2.gz LYFSNZKQYHDWIW-UHFFFAOYSA-N 0 0 246.379 3.891 10 0 BHAERN CC(C)c1c[nH]c(=S)n1Cc1ccccc1 ZINC000039240963 372915515 /nfs/dbraw/zinc/91/55/15/372915515.db2.gz IJOGTRLDJKGZIP-UHFFFAOYSA-N 0 0 232.352 3.717 10 0 BHAERN Cc1ccccc1/C=C/c1ccccc1O ZINC000039241177 347187787 /nfs/dbraw/zinc/18/77/87/347187787.db2.gz VPHCDYHNBBUDSB-ZHACJKMWSA-N 0 0 210.276 3.871 10 0 BHAERN Oc1ccc(-c2nc(-c3cccs3)c[nH]2)cc1 ZINC000039241335 347187810 /nfs/dbraw/zinc/18/78/10/347187810.db2.gz ZSEZGKVDFHJGSQ-UHFFFAOYSA-N 0 0 242.303 3.511 10 0 BHAERN Cc1cc2c(cc1C)NC(=O)c1cscc1N2 ZINC000039241355 347187298 /nfs/dbraw/zinc/18/72/98/347187298.db2.gz IINWWXIPKJGLRW-UHFFFAOYSA-N 0 0 244.319 3.674 10 0 BHAERN Clc1cccc2[nH]c3ccccc3c21 ZINC000039242793 358224169 /nfs/dbraw/zinc/22/41/69/358224169.db2.gz BKBSXIWYKWFQBX-UHFFFAOYSA-N 0 0 201.656 3.975 10 0 BHAERN COc1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000039242803 175230793 /nfs/dbraw/zinc/23/07/93/175230793.db2.gz QMACQPUOUGIINK-UHFFFAOYSA-N 0 0 239.274 3.812 10 0 BHAERN Oc1ccc2c(c1)-c1ccc(O)c3cccc-2c13 ZINC000039245201 368329404 /nfs/dbraw/zinc/32/94/04/368329404.db2.gz DFJZBURNMVGKEM-UHFFFAOYSA-N 0 0 234.254 3.898 10 0 BHAERN CC(=O)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000039245433 358224284 /nfs/dbraw/zinc/22/42/84/358224284.db2.gz JUCGMKHMQHYVQD-HNNXBMFYSA-N 0 0 228.266 3.547 10 0 BHAERN CC(=O)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000039245434 358224603 /nfs/dbraw/zinc/22/46/03/358224603.db2.gz JUCGMKHMQHYVQD-OAHLLOKOSA-N 0 0 228.266 3.547 10 0 BHAERN CC(C)(O)c1ccccc1Nc1ccccc1 ZINC000039246164 372914893 /nfs/dbraw/zinc/91/48/93/372914893.db2.gz ROQVWBPXBVHFIW-UHFFFAOYSA-N 0 0 227.307 3.658 10 0 BHAERN Cc1ccc2oc(=O)c(-c3ccccc3)cc2c1 ZINC000039246651 358224605 /nfs/dbraw/zinc/22/46/05/358224605.db2.gz CWPFCMRZZPIZTM-UHFFFAOYSA-N 0 0 236.270 3.768 10 0 BHAERN OCC[C@H]1C[C@@H](c2ccccc2)c2ccccc21 ZINC000039247318 347188594 /nfs/dbraw/zinc/18/85/94/347188594.db2.gz QFSYPRCZTJVZNF-YOEHRIQHSA-N 0 0 238.330 3.688 10 0 BHAERN OCC[C@H]1C[C@H](c2ccccc2)c2ccccc21 ZINC000039247319 347188198 /nfs/dbraw/zinc/18/81/98/347188198.db2.gz QFSYPRCZTJVZNF-WMLDXEAASA-N 0 0 238.330 3.688 10 0 BHAERN OCC[C@@H]1C[C@@H](c2ccccc2)c2ccccc21 ZINC000039247320 347188236 /nfs/dbraw/zinc/18/82/36/347188236.db2.gz QFSYPRCZTJVZNF-PBHICJAKSA-N 0 0 238.330 3.688 10 0 BHAERN OCC[C@@H]1C[C@H](c2ccccc2)c2ccccc21 ZINC000039247321 347188422 /nfs/dbraw/zinc/18/84/22/347188422.db2.gz QFSYPRCZTJVZNF-RHSMWYFYSA-N 0 0 238.330 3.688 10 0 BHAERN Oc1cc(Cl)cc(-c2ccccc2)c1 ZINC000039249375 183257893 /nfs/dbraw/zinc/25/78/93/183257893.db2.gz NOJLLJXVEWGKFB-UHFFFAOYSA-N 0 0 204.656 3.713 10 0 BHAERN CC(C)/N=C(\Cl)c1ccc(Cl)cc1 ZINC000039249925 347188439 /nfs/dbraw/zinc/18/84/39/347188439.db2.gz MTUSDEZULOZFLA-RAXLEYEMSA-N 0 0 216.111 3.734 10 0 BHAERN FC(F)(F)C(F)(F)Sc1ccccc1 ZINC000039251952 343387579 /nfs/dbraw/zinc/38/75/79/343387579.db2.gz MVWOBQJDBOYETE-UHFFFAOYSA-N 0 0 228.185 3.934 10 0 BHAERN c1cn(CCc2ccccc2)c2ccccc12 ZINC000039252555 183395407 /nfs/dbraw/zinc/39/54/07/183395407.db2.gz AUHQAAVJJYGEIU-UHFFFAOYSA-N 0 0 221.303 3.884 10 0 BHAERN c1ccc2c(c1)CCC1(CCCCC1)O2 ZINC000039253345 368329177 /nfs/dbraw/zinc/32/91/77/368329177.db2.gz HUUUBGPZCYOCKH-UHFFFAOYSA-N 0 0 202.297 3.715 10 0 BHAERN O[C@H]1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000039254670 347186658 /nfs/dbraw/zinc/18/66/58/347186658.db2.gz WWJBTNIJOIYZLW-LBPRGKRZSA-N 0 0 246.693 3.722 10 0 BHAERN O[C@@H]1Cc2ccccc2Oc2ccc(Cl)cc21 ZINC000039254671 347186891 /nfs/dbraw/zinc/18/68/91/347186891.db2.gz WWJBTNIJOIYZLW-GFCCVEGCSA-N 0 0 246.693 3.722 10 0 BHAERN CC(=O)[C@@H](Cc1ccc(C)cc1)c1ccccc1 ZINC000039254817 347186576 /nfs/dbraw/zinc/18/65/76/347186576.db2.gz MXZIUDIOUUOXTG-QGZVFWFLSA-N 0 0 238.330 3.910 10 0 BHAERN CC(=O)[C@H](Cc1ccc(C)cc1)c1ccccc1 ZINC000039254818 347186454 /nfs/dbraw/zinc/18/64/54/347186454.db2.gz MXZIUDIOUUOXTG-KRWDZBQOSA-N 0 0 238.330 3.910 10 0 BHAERN Cc1ccc(C(=O)C(Cl)(Cl)Cl)cc1 ZINC000039259247 350174441 /nfs/dbraw/zinc/17/44/41/350174441.db2.gz MNGMYDLGQWCGRW-UHFFFAOYSA-N 0 0 237.513 3.548 10 0 BHAERN CC(C)(C)c1ccc(O)c(C(F)(F)F)c1 ZINC000039259362 187263458 /nfs/dbraw/zinc/26/34/58/187263458.db2.gz XZPXTHKHQONIKU-UHFFFAOYSA-N 0 0 218.218 3.709 10 0 BHAERN Clc1cccnc1Oc1ccccc1 ZINC000039263872 347189802 /nfs/dbraw/zinc/18/98/02/347189802.db2.gz URYCIVHNRNJTBV-UHFFFAOYSA-N 0 0 205.644 3.527 10 0 BHAERN CCCCc1ccc2c(c1)C(=O)CCS2 ZINC000039264338 368330685 /nfs/dbraw/zinc/33/06/85/368330685.db2.gz GUBGOTHHJPJXOB-UHFFFAOYSA-N 0 0 220.337 3.708 10 0 BHAERN CC[C@@H](C)c1ccc2c(c1)C(=O)CCS2 ZINC000039264340 368330757 /nfs/dbraw/zinc/33/07/57/368330757.db2.gz SYOSNECOSJSBGS-SECBINFHSA-N 0 0 220.337 3.879 10 0 BHAERN CC[C@H](C)c1ccc2c(c1)C(=O)CCS2 ZINC000039264341 368330180 /nfs/dbraw/zinc/33/01/80/368330180.db2.gz SYOSNECOSJSBGS-VIFPVBQESA-N 0 0 220.337 3.879 10 0 BHAERN Cc1cc2ccccc2n1-c1ccccc1 ZINC000039268286 372921435 /nfs/dbraw/zinc/92/14/35/372921435.db2.gz WGNINGVLXWVAEJ-UHFFFAOYSA-N 0 0 207.276 3.939 10 0 BHAERN O=C1Oc2ccc(Cl)cc2Nc2ccccc21 ZINC000039270260 347189950 /nfs/dbraw/zinc/18/99/50/347189950.db2.gz HHXLMMKXUHONGO-UHFFFAOYSA-N 0 0 245.665 3.616 10 0 BHAERN Cc1ccc(-c2nc(Cl)cc(Cl)n2)cc1 ZINC000039270422 178335819 /nfs/dbraw/zinc/33/58/19/178335819.db2.gz SPGOAFUOMCIVDB-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN Cc1cc2ccccn2c1Cc1ccccc1 ZINC000039276419 347188557 /nfs/dbraw/zinc/18/85/57/347188557.db2.gz DJBWQGDTQABRHZ-UHFFFAOYSA-N 0 0 221.303 3.839 10 0 BHAERN Cc1ccc(C(=O)c2ccc(F)cc2C)cc1 ZINC000039277568 372926211 /nfs/dbraw/zinc/92/62/11/372926211.db2.gz RQSGBILHAYASGU-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN COc1ccc2c(c1)C(c1ccccc1)=CC2 ZINC000039278170 347188616 /nfs/dbraw/zinc/18/86/16/347188616.db2.gz POUHTTBIBKQEFK-UHFFFAOYSA-N 0 0 222.287 3.683 10 0 BHAERN Nc1ccc(Cl)cc1Cc1cccs1 ZINC000039278693 181710127 /nfs/dbraw/zinc/71/01/27/181710127.db2.gz MHOWVAPHXZSVJW-UHFFFAOYSA-N 0 0 223.728 3.575 10 0 BHAERN C[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1 ZINC000039279104 368330365 /nfs/dbraw/zinc/33/03/65/368330365.db2.gz KGDHGMYUWLSCKC-MEDUHNTESA-N 0 0 238.286 3.639 10 0 BHAERN C[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1 ZINC000039279105 368330177 /nfs/dbraw/zinc/33/01/77/368330177.db2.gz KGDHGMYUWLSCKC-BDJLRTHQSA-N 0 0 238.286 3.639 10 0 BHAERN C[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1 ZINC000039279106 368330572 /nfs/dbraw/zinc/33/05/72/368330572.db2.gz KGDHGMYUWLSCKC-ZBEGNZNMSA-N 0 0 238.286 3.639 10 0 BHAERN C[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1 ZINC000039279107 368330255 /nfs/dbraw/zinc/33/02/55/368330255.db2.gz KGDHGMYUWLSCKC-BZNIZROVSA-N 0 0 238.286 3.639 10 0 BHAERN Cc1cc(C)c2c(C)c(Cl)c(=O)oc2c1C ZINC000039281201 349264308 /nfs/dbraw/zinc/26/43/08/349264308.db2.gz NBMOSRDVMKXXFX-UHFFFAOYSA-N 0 0 236.698 3.680 10 0 BHAERN O=C1Cc2ccc(Cl)cc2N1c1ccccc1 ZINC000039284199 347188324 /nfs/dbraw/zinc/18/83/24/347188324.db2.gz XOSTYPSDUQZJEY-UHFFFAOYSA-N 0 0 243.693 3.561 10 0 BHAERN CC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(O)c1 ZINC000039286468 358224884 /nfs/dbraw/zinc/22/48/84/358224884.db2.gz HPQKWVMRTITDBD-WCQYABFASA-N 0 0 248.366 3.708 10 0 BHAERN Clc1nc2c(c(-c3ccccc3)n1)CCCC2 ZINC000039286903 349272389 /nfs/dbraw/zinc/27/23/89/349272389.db2.gz ADWNWKJTBUQTSO-UHFFFAOYSA-N 0 0 244.725 3.676 10 0 BHAERN O=C1Cc2ccccc2Sc2ccc(F)cc21 ZINC000039291677 347188277 /nfs/dbraw/zinc/18/82/77/347188277.db2.gz NCPLOIXBZBQLIM-UHFFFAOYSA-N 0 0 244.290 3.716 10 0 BHAERN O=C(Nc1cccs1)c1ccc(Cl)cc1 ZINC000039295521 182384960 /nfs/dbraw/zinc/38/49/60/182384960.db2.gz AVXYTOHWULWSAU-UHFFFAOYSA-N 0 0 237.711 3.654 10 0 BHAERN Cc1cccc2sc(C=O)c(Cl)c21 ZINC000039299329 179234361 /nfs/dbraw/zinc/23/43/61/179234361.db2.gz SUVSZMUJORUEPR-UHFFFAOYSA-N 0 0 210.685 3.676 10 0 BHAERN Cc1ccc2c(Cl)c(C=O)sc2c1 ZINC000039299331 343388252 /nfs/dbraw/zinc/38/82/52/343388252.db2.gz PQVKNBQZAJKUCF-UHFFFAOYSA-N 0 0 210.685 3.676 10 0 BHAERN Cc1nc(Cl)c(Cl)nc1-c1ccccc1 ZINC000039306973 343388167 /nfs/dbraw/zinc/38/81/67/343388167.db2.gz IKTUWUIDRVSJME-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN Cc1cc(C(C)(C)C)cc(C)c1[C@@H](C)O ZINC000039318097 384110900 /nfs/dbraw/zinc/11/09/00/384110900.db2.gz PVMCWDVJAORYKU-LLVKDONJSA-N 0 0 206.329 3.654 10 0 BHAERN Cc1cc(C(C)(C)C)cc(C)c1[C@H](C)O ZINC000039318098 384111696 /nfs/dbraw/zinc/11/16/96/384111696.db2.gz PVMCWDVJAORYKU-NSHDSACASA-N 0 0 206.329 3.654 10 0 BHAERN COc1ccc(-c2ccc(OC)c(F)c2)cc1 ZINC000039320168 175034594 /nfs/dbraw/zinc/03/45/94/175034594.db2.gz CKTRTUUZEKFJPL-UHFFFAOYSA-N 0 0 232.254 3.510 10 0 BHAERN CC(C)/C=C/C(=O)c1ccc(Cl)cc1 ZINC000039329483 358222259 /nfs/dbraw/zinc/22/22/59/358222259.db2.gz YYIFZLFEEABUSK-FPYGCLRLSA-N 0 0 208.688 3.735 10 0 BHAERN C[C@H](O)c1cccc(Oc2ccccc2)c1 ZINC000039329865 177017313 /nfs/dbraw/zinc/01/73/13/177017313.db2.gz MYWBBBSIAHHXJK-NSHDSACASA-N 0 0 214.264 3.532 10 0 BHAERN C[C@@H](O)c1cccc(Oc2ccccc2)c1 ZINC000039329867 343388836 /nfs/dbraw/zinc/38/88/36/343388836.db2.gz MYWBBBSIAHHXJK-LLVKDONJSA-N 0 0 214.264 3.532 10 0 BHAERN CCC/C=C/c1ccc(OC)c(OC)c1 ZINC000039332524 368330732 /nfs/dbraw/zinc/33/07/32/368330732.db2.gz CHXGKXZGBGTGDR-VOTSOKGWSA-N 0 0 206.285 3.517 10 0 BHAERN O[C@@H](CCCc1ccccc1)c1ccc(F)cc1 ZINC000039334093 183173037 /nfs/dbraw/zinc/17/30/37/183173037.db2.gz PTCMVRODMCBDAF-INIZCTEOSA-N 0 0 244.309 3.882 10 0 BHAERN O[C@H](CCCc1ccccc1)c1ccc(F)cc1 ZINC000039334094 183219055 /nfs/dbraw/zinc/21/90/55/183219055.db2.gz PTCMVRODMCBDAF-MRXNPFEDSA-N 0 0 244.309 3.882 10 0 BHAERN Cc1cccc(C(=O)c2ccccc2)c1Cl ZINC000039338602 343123901 /nfs/dbraw/zinc/12/39/01/343123901.db2.gz AXRMKWUHDBNVGW-UHFFFAOYSA-N 0 0 230.694 3.879 10 0 BHAERN CC(=O)Nc1ccccc1-c1ccc(C)cc1 ZINC000039339736 384675339 /nfs/dbraw/zinc/67/53/39/384675339.db2.gz JAMLTLDFUMEUJM-UHFFFAOYSA-N 0 0 225.291 3.620 10 0 BHAERN Nc1ccc(Cl)cc1NC1CCCCC1 ZINC000039342861 643377024 /nfs/dbraw/zinc/37/70/24/643377024.db2.gz SVBZPQNRYFSPPK-UHFFFAOYSA-N 0 0 224.735 3.667 10 0 BHAERN COc1ccc(Nc2cc(Cl)ccc2N)cc1 ZINC000039342862 175156037 /nfs/dbraw/zinc/15/60/37/175156037.db2.gz UCZFTDMYTJDRKG-UHFFFAOYSA-N 0 0 248.713 3.674 10 0 BHAERN CCCCc1ccc2sc(NC)nc2c1 ZINC000039343641 169025184 /nfs/dbraw/zinc/02/51/84/169025184.db2.gz CKUBLIGEZAFCFL-UHFFFAOYSA-N 0 0 220.341 3.681 10 0 BHAERN Cc1cc(-c2cscc2N)c(C)s1 ZINC000039347503 177689395 /nfs/dbraw/zinc/68/93/95/177689395.db2.gz WVGXNMXVVZPCAH-UHFFFAOYSA-N 0 0 209.339 3.676 10 0 BHAERN OCc1cc2cc(-c3ccsc3)ccc2o1 ZINC000039365947 368330215 /nfs/dbraw/zinc/33/02/15/368330215.db2.gz OJDFMFPGRBDCCJ-UHFFFAOYSA-N 0 0 230.288 3.654 10 0 BHAERN CC(C)(C)c1ccc(O)c2ccccc21 ZINC000039369290 187427708 /nfs/dbraw/zinc/42/77/08/187427708.db2.gz CGKJTQFVWGRAMC-UHFFFAOYSA-N 0 0 200.281 3.843 10 0 BHAERN COc1ccc2c(c1)onc2-c1ccccc1F ZINC000039370285 347189632 /nfs/dbraw/zinc/18/96/32/347189632.db2.gz JGRPDLFAXRFSFX-UHFFFAOYSA-N 0 0 243.237 3.643 10 0 BHAERN COc1cc(C)c(/C=C(\F)C(C)=O)c(C)c1C ZINC000039372784 358225689 /nfs/dbraw/zinc/22/56/89/358225689.db2.gz AMSPYZOOWDJJMU-QPEQYQDCSA-N 0 0 236.286 3.520 10 0 BHAERN COc1cc(C)c(/C=C(/F)C(C)=O)c(C)c1C ZINC000039372785 368409708 /nfs/dbraw/zinc/40/97/08/368409708.db2.gz AMSPYZOOWDJJMU-NTUHNPAUSA-N 0 0 236.286 3.520 10 0 BHAERN COc1cccc2cccc(Br)c21 ZINC000039374858 343389545 /nfs/dbraw/zinc/38/95/45/343389545.db2.gz URUDGARERYTKAD-UHFFFAOYSA-N 0 0 237.096 3.611 10 0 BHAERN COc1cc(Br)c2ccccc2c1 ZINC000039374860 384113953 /nfs/dbraw/zinc/11/39/53/384113953.db2.gz GPVSVDNPAVXAQT-UHFFFAOYSA-N 0 0 237.096 3.611 10 0 BHAERN Nc1cc(C(F)(F)F)cc(Cl)c1Cl ZINC000039383486 343389402 /nfs/dbraw/zinc/38/94/02/343389402.db2.gz QVGXDVUFEAAYHW-UHFFFAOYSA-N 0 0 230.016 3.594 10 0 BHAERN O=Cc1cccc2c(Cl)ccc(Cl)c12 ZINC000039386049 187263761 /nfs/dbraw/zinc/26/37/61/187263761.db2.gz LCAKYAWWRDFNDS-UHFFFAOYSA-N 0 0 225.074 3.959 10 0 BHAERN Cc1cc(O)cc(C)c1-c1c(C)cc(O)cc1C ZINC000039386608 372960672 /nfs/dbraw/zinc/96/06/72/372960672.db2.gz XSTITJMSUGCZDH-UHFFFAOYSA-N 0 0 242.318 3.998 10 0 BHAERN Oc1ccc(Nc2ccc(Cl)cc2)cc1 ZINC000039391234 183276433 /nfs/dbraw/zinc/27/64/33/183276433.db2.gz SIRZNJVFSXOBJH-UHFFFAOYSA-N 0 0 219.671 3.789 10 0 BHAERN COC(=O)[C@@H](c1ccccc1)C1CCCCC1 ZINC000039393968 347190833 /nfs/dbraw/zinc/19/08/33/347190833.db2.gz CHGRSXGBVBMMAP-AWEZNQCLSA-N 0 0 232.323 3.524 10 0 BHAERN COC(=O)[C@H](c1ccccc1)C1CCCCC1 ZINC000039393971 347190829 /nfs/dbraw/zinc/19/08/29/347190829.db2.gz CHGRSXGBVBMMAP-CQSZACIVSA-N 0 0 232.323 3.524 10 0 BHAERN COc1ccc(Br)c2ccsc21 ZINC000039401084 175051393 /nfs/dbraw/zinc/05/13/93/175051393.db2.gz JDQJXKNZMCWVKZ-UHFFFAOYSA-N 0 0 243.125 3.672 10 0 BHAERN OCc1cc2ccc3ccccc3c2s1 ZINC000039402239 372963694 /nfs/dbraw/zinc/96/36/94/372963694.db2.gz HPYSRPMROPQUEF-UHFFFAOYSA-N 0 0 214.289 3.547 10 0 BHAERN Cc1ccccc1-c1ccc(Br)cn1 ZINC000039402281 179235288 /nfs/dbraw/zinc/23/52/88/179235288.db2.gz QKYDTWSRQURVQZ-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Cc1ccccc1-c1ccncc1Br ZINC000039402284 179236509 /nfs/dbraw/zinc/23/65/09/179236509.db2.gz NIWYCILCKVTXGT-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN C/C=C/CSc1nc2ccccc2s1 ZINC000039402298 384113517 /nfs/dbraw/zinc/11/35/17/384113517.db2.gz XUMHHDLGNBREGC-NSCUHMNNSA-N 0 0 221.350 3.965 10 0 BHAERN Cc1cc2nc(Cl)cc(C)c2cc1C ZINC000039408321 178302114 /nfs/dbraw/zinc/30/21/14/178302114.db2.gz JKOIKEVCSFUKRR-UHFFFAOYSA-N 0 0 205.688 3.813 10 0 BHAERN O=C1C[C@@H](c2ccc(F)cc2)c2ccc(F)cc21 ZINC000039409767 347190663 /nfs/dbraw/zinc/19/06/63/347190663.db2.gz MXHKCSBPWMQNFO-ZDUSSCGKSA-N 0 0 244.240 3.683 10 0 BHAERN O=C1C[C@H](c2ccc(F)cc2)c2ccc(F)cc21 ZINC000039409768 347190807 /nfs/dbraw/zinc/19/08/07/347190807.db2.gz MXHKCSBPWMQNFO-CYBMUJFWSA-N 0 0 244.240 3.683 10 0 BHAERN O[C@@H]1C[C@H](c2ccc(F)cc2)c2ccc(F)cc21 ZINC000039409772 347190753 /nfs/dbraw/zinc/19/07/53/347190753.db2.gz VNLGLRAQGQRKDU-UKRRQHHQSA-N 0 0 246.256 3.534 10 0 BHAERN Cc1ccc2c(c1)[C@H](O)C[C@@H]2c1ccc(F)cc1 ZINC000039409773 347190708 /nfs/dbraw/zinc/19/07/08/347190708.db2.gz UMZXVUGSUWWDTO-GDBMZVCRSA-N 0 0 242.293 3.703 10 0 BHAERN C/C(=C\c1c(Cl)cccc1Cl)[N+](=O)[O-] ZINC000039411597 372966313 /nfs/dbraw/zinc/96/63/13/372966313.db2.gz MSYXTJLPLPDAOH-AATRIKPKSA-N 0 0 232.066 3.631 10 0 BHAERN CC(C)(C)c1ccc(Br)s1 ZINC000039414097 259314530 /nfs/dbraw/zinc/31/45/30/259314530.db2.gz HTEIRRKBIRSBIZ-UHFFFAOYSA-N 0 0 219.147 3.808 10 0 BHAERN Clc1cccc(Cl)c1NCC1CC1 ZINC000039414607 360613685 /nfs/dbraw/zinc/61/36/85/360613685.db2.gz RGJRUSMZHLEKSQ-UHFFFAOYSA-N 0 0 216.111 3.815 10 0 BHAERN CCOc1ccc2c(cccc2OCC)c1 ZINC000039416396 368330454 /nfs/dbraw/zinc/33/04/54/368330454.db2.gz ZGXCBXRNNYACJW-UHFFFAOYSA-N 0 0 216.280 3.637 10 0 BHAERN Cc1c(-c2ccccc2)nc2cccc(C)n12 ZINC000039424319 179228687 /nfs/dbraw/zinc/22/86/87/179228687.db2.gz MIFUVOUWZRCEOA-UHFFFAOYSA-N 0 0 222.291 3.618 10 0 BHAERN Cc1c(-c2ccccc2)nc2c(C)cccn12 ZINC000039424320 179353647 /nfs/dbraw/zinc/35/36/47/179353647.db2.gz QCDMGUJKUPMRKB-UHFFFAOYSA-N 0 0 222.291 3.618 10 0 BHAERN c1csc([C@@H]2Nc3ccccc3S2)c1 ZINC000039424369 183522378 /nfs/dbraw/zinc/52/23/78/183522378.db2.gz DYQFMODKXVIWKB-LLVKDONJSA-N 0 0 219.334 3.965 10 0 BHAERN CC[C@@H]1SC(c2ccccc2)=NN1C(C)C ZINC000039426800 171154278 /nfs/dbraw/zinc/15/42/78/171154278.db2.gz LJGKFVFWMREFBW-LBPRGKRZSA-N 0 0 234.368 3.542 10 0 BHAERN Cc1c(Cl)cccc1-c1cccnc1 ZINC000039434016 343389954 /nfs/dbraw/zinc/38/99/54/343389954.db2.gz CFKLDJZJHIHXRA-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1c(Cl)cccc1-c1ccccn1 ZINC000039434017 343390089 /nfs/dbraw/zinc/39/00/89/343390089.db2.gz KLZXMXISDBRVJQ-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN CC(=O)/C=C/[C@@]12C[C@]1(C)CCCC2(C)C ZINC000039593915 368409491 /nfs/dbraw/zinc/40/94/91/368409491.db2.gz CJEHWZOFMHIHFC-HXUSNMGPSA-N 0 0 206.329 3.738 10 0 BHAERN CC(=O)/C=C/[C@]12C[C@@]1(C)CCCC2(C)C ZINC000039593917 368409231 /nfs/dbraw/zinc/40/92/31/368409231.db2.gz CJEHWZOFMHIHFC-VAIDBEGPSA-N 0 0 206.329 3.738 10 0 BHAERN Clc1nnc(-c2ccc(Cl)cc2)s1 ZINC000039598726 180577438 /nfs/dbraw/zinc/57/74/38/180577438.db2.gz UVTBFAQZJPMCIT-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN Clc1nnc(-c2ccccc2Cl)s1 ZINC000039598728 343390922 /nfs/dbraw/zinc/39/09/22/343390922.db2.gz FMAFUQQVKRNJGP-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN CC(C)(C)OC(=O)Cc1ccc2ccccc2c1 ZINC000039603702 343391145 /nfs/dbraw/zinc/39/11/45/343391145.db2.gz AJACKPZBVYKKRE-UHFFFAOYSA-N 0 0 242.318 3.724 10 0 BHAERN Clc1c[nH]cc1-c1ccccc1Cl ZINC000039614317 358231116 /nfs/dbraw/zinc/23/11/16/358231116.db2.gz FEEKVTIOMGXMKZ-UHFFFAOYSA-N 0 0 212.079 3.989 10 0 BHAERN O=C(c1ncc(-c2ccccc2)o1)c1ccccc1 ZINC000039616956 182677732 /nfs/dbraw/zinc/67/77/32/182677732.db2.gz GELOLSPOTXOQFL-UHFFFAOYSA-N 0 0 249.269 3.573 10 0 BHAERN Oc1ccc(Nc2ccccc2Cl)cc1 ZINC000039617151 183275994 /nfs/dbraw/zinc/27/59/94/183275994.db2.gz LSUDZUSYVBFCPK-UHFFFAOYSA-N 0 0 219.671 3.789 10 0 BHAERN O=C(C#Cc1cccs1)c1ccc(Cl)cc1 ZINC000039618310 347192613 /nfs/dbraw/zinc/19/26/13/347192613.db2.gz FXMIQVGWLIHANG-UHFFFAOYSA-N 0 0 246.718 3.636 10 0 BHAERN Clc1ccc2c(c1)CNc1ccccc1C2 ZINC000039619525 347192090 /nfs/dbraw/zinc/19/20/90/347192090.db2.gz VSNARHBMLUEIRA-UHFFFAOYSA-N 0 0 229.710 3.856 10 0 BHAERN CCOc1cccc2c1NC(C)(C)C=C2C ZINC000039625673 358227383 /nfs/dbraw/zinc/22/73/83/358227383.db2.gz BRVNZOCVEQQSBJ-UHFFFAOYSA-N 0 0 217.312 3.693 10 0 BHAERN O=C(c1ccc(-c2ccccc2)[nH]1)c1ccccc1 ZINC000039643893 182678307 /nfs/dbraw/zinc/67/83/07/182678307.db2.gz DJBSRTJRHSNDFR-UHFFFAOYSA-N 0 0 247.297 3.913 10 0 BHAERN Nc1ccccc1C(=O)c1cccc2ccccc21 ZINC000039646587 358228052 /nfs/dbraw/zinc/22/80/52/358228052.db2.gz CDRBCCBXXHTNSU-UHFFFAOYSA-N 0 0 247.297 3.653 10 0 BHAERN FC(F)(F)COc1cccc2ccccc21 ZINC000039648117 358228286 /nfs/dbraw/zinc/22/82/86/358228286.db2.gz LUWZABPMQUKGME-UHFFFAOYSA-N 0 0 226.197 3.781 10 0 BHAERN O=C1Nc2ccccc2Nc2cc(Cl)ccc21 ZINC000039648280 347193521 /nfs/dbraw/zinc/19/35/21/347193521.db2.gz AQPBTIINWFWUAU-UHFFFAOYSA-N 0 0 244.681 3.649 10 0 BHAERN Clc1ccc(Nc2nccs2)cc1 ZINC000039651175 343391616 /nfs/dbraw/zinc/39/16/16/343391616.db2.gz DZCHHZPRYALHIU-UHFFFAOYSA-N 0 0 210.689 3.540 10 0 BHAERN Cc1cccc(Cl)c1NC(=O)OCC(C)C ZINC000039750285 179107471 /nfs/dbraw/zinc/10/74/71/179107471.db2.gz SSQUALAIIFOFDL-UHFFFAOYSA-N 0 0 241.718 3.853 10 0 BHAERN O=Cc1ccc(-c2cccc(F)c2F)s1 ZINC000039927892 388233347 /nfs/dbraw/zinc/23/33/47/388233347.db2.gz KPTQMPYHGPVJHN-UHFFFAOYSA-N 0 0 224.231 3.506 10 0 BHAERN COc1ccc2c(c1)N(C)c1ccccc1S2 ZINC000039951979 132346904 /nfs/dbraw/zinc/34/69/04/132346904.db2.gz CQWXCVHGJCSSKQ-UHFFFAOYSA-N 0 0 243.331 3.928 10 0 BHAERN CC[C@@H](C)n1c2ccccc2nc1[C@H]([NH3+])C(C)C ZINC000040163889 385683622 /nfs/dbraw/zinc/68/36/22/385683622.db2.gz GNGSCCLNXJSNDM-BXUZGUMPSA-N 0 0 245.370 3.663 10 0 BHAERN CC[C@H](C)n1c2ccccc2nc1[C@H]([NH3+])C(C)C ZINC000040163890 385682598 /nfs/dbraw/zinc/68/25/98/385682598.db2.gz GNGSCCLNXJSNDM-SMDDNHRTSA-N 0 0 245.370 3.663 10 0 BHAERN CC[C@@H](C)n1c2ccccc2nc1[C@@H]([NH3+])C(C)C ZINC000040163891 385683592 /nfs/dbraw/zinc/68/35/92/385683592.db2.gz GNGSCCLNXJSNDM-RISCZKNCSA-N 0 0 245.370 3.663 10 0 BHAERN CC[C@H](C)n1c2ccccc2nc1[C@@H]([NH3+])C(C)C ZINC000040163892 385682905 /nfs/dbraw/zinc/68/29/05/385682905.db2.gz GNGSCCLNXJSNDM-FZMZJTMJSA-N 0 0 245.370 3.663 10 0 BHAERN CCOC(=O)c1cccc(-c2ccc(F)cc2)c1 ZINC000040174803 170298378 /nfs/dbraw/zinc/29/83/78/170298378.db2.gz IKXUUJGFSKYVIX-UHFFFAOYSA-N 0 0 244.265 3.669 10 0 BHAERN CCOC(=O)c1ccccc1-c1ccc(F)cc1 ZINC000040174805 170299594 /nfs/dbraw/zinc/29/95/94/170299594.db2.gz GTIITBFOKGJWJA-UHFFFAOYSA-N 0 0 244.265 3.669 10 0 BHAERN CCOC(=O)c1cccc(-c2ccccc2C)c1 ZINC000040174824 170298701 /nfs/dbraw/zinc/29/87/01/170298701.db2.gz ZPVOQGKXJAZROX-UHFFFAOYSA-N 0 0 240.302 3.839 10 0 BHAERN CCOC(=O)c1ccccc1-c1ccccc1C ZINC000040174826 170299073 /nfs/dbraw/zinc/29/90/73/170299073.db2.gz JWLVYIROMAIGIL-UHFFFAOYSA-N 0 0 240.302 3.839 10 0 BHAERN CCOC(=O)c1ccc(-c2ccccc2F)cc1 ZINC000040174834 170294896 /nfs/dbraw/zinc/29/48/96/170294896.db2.gz PDLKVZOWXQXFRZ-UHFFFAOYSA-N 0 0 244.265 3.669 10 0 BHAERN CCOC(=O)c1cccc(-c2ccccc2F)c1 ZINC000040174836 170298493 /nfs/dbraw/zinc/29/84/93/170298493.db2.gz SGGIQDMANVFKNK-UHFFFAOYSA-N 0 0 244.265 3.669 10 0 BHAERN CCOC(=O)c1ccccc1-c1ccccc1F ZINC000040174838 170299127 /nfs/dbraw/zinc/29/91/27/170299127.db2.gz NCDFKCNUVIGQLK-UHFFFAOYSA-N 0 0 244.265 3.669 10 0 BHAERN CCc1cccc2c(=S)cc(C)[nH]c12 ZINC000040175014 385845765 /nfs/dbraw/zinc/84/57/65/385845765.db2.gz VMSYQWBGDSQNNO-UHFFFAOYSA-N 0 0 203.310 3.768 10 0 BHAERN CCc1ccc2[nH]c(C)cc(=S)c2c1 ZINC000040175016 351989449 /nfs/dbraw/zinc/98/94/49/351989449.db2.gz MODMKNDZFBGXCW-UHFFFAOYSA-N 0 0 203.310 3.768 10 0 BHAERN Cc1cc(=S)c2ccc(C)c(C)c2[nH]1 ZINC000040175022 351989217 /nfs/dbraw/zinc/98/92/17/351989217.db2.gz ZTYXINDCUMHOAH-UHFFFAOYSA-N 0 0 203.310 3.823 10 0 BHAERN Cc1cc(C)c2[nH]c(C)cc(=S)c2c1 ZINC000040175024 187393579 /nfs/dbraw/zinc/39/35/79/187393579.db2.gz KAHJBYYEMPORQP-UHFFFAOYSA-N 0 0 203.310 3.823 10 0 BHAERN Cc1cc(=S)c2c(C)ccc(C)c2[nH]1 ZINC000040175026 177721299 /nfs/dbraw/zinc/72/12/99/177721299.db2.gz DYKLMGXLAINZOU-UHFFFAOYSA-N 0 0 203.310 3.823 10 0 BHAERN CCc1cccc2c(C)cc(Cl)nc12 ZINC000040175110 385861615 /nfs/dbraw/zinc/86/16/15/385861615.db2.gz DNDPHSGMDZZUIC-UHFFFAOYSA-N 0 0 205.688 3.759 10 0 BHAERN CCc1cccc2c(C)cc(=S)[nH]c12 ZINC000040175134 385862194 /nfs/dbraw/zinc/86/21/94/385862194.db2.gz HIUNCUPPXSWUDQ-UHFFFAOYSA-N 0 0 203.310 3.768 10 0 BHAERN CCc1ccc2[nH]c(=S)cc(C)c2c1 ZINC000040175136 351995717 /nfs/dbraw/zinc/99/57/17/351995717.db2.gz UDRJXDQWUPSIAO-UHFFFAOYSA-N 0 0 203.310 3.768 10 0 BHAERN Cc1ccc2c(C)cc(=S)[nH]c2c1C ZINC000040175142 351995658 /nfs/dbraw/zinc/99/56/58/351995658.db2.gz HPURAXRHEDGFEX-UHFFFAOYSA-N 0 0 203.310 3.823 10 0 BHAERN Cc1ccc(C)c2c(C)cc(=S)[nH]c12 ZINC000040175144 351995789 /nfs/dbraw/zinc/99/57/89/351995789.db2.gz PVENZKULQYACMG-UHFFFAOYSA-N 0 0 203.310 3.823 10 0 BHAERN Cc1cc(=S)[nH]c2c(Cl)cccc12 ZINC000040175148 342959627 /nfs/dbraw/zinc/95/96/27/342959627.db2.gz LZKPZJJLYQMFGF-UHFFFAOYSA-N 0 0 209.701 3.859 10 0 BHAERN CC(C)c1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000040175779 373114507 /nfs/dbraw/zinc/11/45/07/373114507.db2.gz LBIICTQUEVLTCQ-UHFFFAOYSA-N 0 0 243.354 3.893 10 0 BHAERN COc1ccccc1CNc1cccc(F)c1F ZINC000040229872 175331105 /nfs/dbraw/zinc/33/11/05/175331105.db2.gz WWVKYNXOVKARKS-UHFFFAOYSA-N 0 0 249.260 3.586 10 0 BHAERN Cc1ccc(CNc2cccc(F)c2F)cc1 ZINC000040229874 178639423 /nfs/dbraw/zinc/63/94/23/178639423.db2.gz XBOJJZGZCROBSK-UHFFFAOYSA-N 0 0 233.261 3.885 10 0 BHAERN Fc1cccc(NCc2cccs2)c1F ZINC000040229898 181001882 /nfs/dbraw/zinc/00/18/82/181001882.db2.gz CGNYSJLOWXZXKL-UHFFFAOYSA-N 0 0 225.263 3.638 10 0 BHAERN CCC(CC)CNc1cccc(F)c1F ZINC000040229908 168366190 /nfs/dbraw/zinc/36/61/90/168366190.db2.gz PKNZVPQIBPBQLU-UHFFFAOYSA-N 0 0 213.271 3.813 10 0 BHAERN Fc1cccc(NCC2CCCCC2)c1F ZINC000040229909 188291965 /nfs/dbraw/zinc/29/19/65/188291965.db2.gz FPKMZMDMMMJKGM-UHFFFAOYSA-N 0 0 225.282 3.957 10 0 BHAERN CC(C)C[C@@H](C)Nc1cccc(F)c1F ZINC000040230007 387034693 /nfs/dbraw/zinc/03/46/93/387034693.db2.gz ZQGXGJFPFLRUNQ-SECBINFHSA-N 0 0 213.271 3.811 10 0 BHAERN CC(C)C[C@H](C)Nc1cccc(F)c1F ZINC000040230008 387034674 /nfs/dbraw/zinc/03/46/74/387034674.db2.gz ZQGXGJFPFLRUNQ-VIFPVBQESA-N 0 0 213.271 3.811 10 0 BHAERN CCC[C@@H](C)CNc1cccc(F)c1F ZINC000040230134 169360806 /nfs/dbraw/zinc/36/08/06/169360806.db2.gz FCODJNPXHCZNAG-SECBINFHSA-N 0 0 213.271 3.813 10 0 BHAERN CC(C)(C)CCNc1cccc(F)c1F ZINC000040230492 166571993 /nfs/dbraw/zinc/57/19/93/166571993.db2.gz IBYJRDOYCWIDFT-UHFFFAOYSA-N 0 0 213.271 3.813 10 0 BHAERN Cc1nc2c(F)c(F)ccc2c(Cl)c1C ZINC000040231180 355819706 /nfs/dbraw/zinc/81/97/06/355819706.db2.gz YRWOZPRVZWDHHA-UHFFFAOYSA-N 0 0 227.641 3.783 10 0 BHAERN CC[C@@H](C)C(=O)c1ccc(Br)s1 ZINC000040235914 373124891 /nfs/dbraw/zinc/12/48/91/373124891.db2.gz WTNKXZHRYCCZTI-ZCFIWIBFSA-N 0 0 247.157 3.739 10 0 BHAERN CC[C@H](C)C(=O)c1ccc(Br)s1 ZINC000040235916 373124092 /nfs/dbraw/zinc/12/40/92/373124092.db2.gz WTNKXZHRYCCZTI-LURJTMIESA-N 0 0 247.157 3.739 10 0 BHAERN CCC1CCC(O)(c2cccs2)CC1 ZINC000040237432 355824318 /nfs/dbraw/zinc/82/43/18/355824318.db2.gz KKURLVXEISWYIJ-UHFFFAOYSA-N 0 0 210.342 3.536 10 0 BHAERN Cc1cccc([C@H](O)c2ccc(C)c(C)c2)c1 ZINC000040241703 179202375 /nfs/dbraw/zinc/20/23/75/179202375.db2.gz LRUDAYQBWMWEFN-INIZCTEOSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1cccc([C@@H](O)c2ccc(C)c(C)c2)c1 ZINC000040241704 179187694 /nfs/dbraw/zinc/18/76/94/179187694.db2.gz LRUDAYQBWMWEFN-MRXNPFEDSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1ccc([C@H](O)c2cccc(F)c2)cc1C ZINC000040241717 352594214 /nfs/dbraw/zinc/59/42/14/352594214.db2.gz BWLRAXUUJFOGNA-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc([C@@H](O)c2cccc(F)c2)cc1C ZINC000040241718 386656600 /nfs/dbraw/zinc/65/66/00/386656600.db2.gz BWLRAXUUJFOGNA-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc([C@H](O)c2ccccc2F)cc1C ZINC000040241723 352594071 /nfs/dbraw/zinc/59/40/71/352594071.db2.gz VMBODZSHNWVIFM-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc([C@@H](O)c2ccccc2F)cc1C ZINC000040241724 386656970 /nfs/dbraw/zinc/65/69/70/386656970.db2.gz VMBODZSHNWVIFM-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc([C@@H](O)c2ccccc2C)cc1C ZINC000040241812 386655832 /nfs/dbraw/zinc/65/58/32/386655832.db2.gz KIYAMJQGHXPOEW-MRXNPFEDSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1ccc([C@H](O)c2ccccc2C)cc1C ZINC000040241813 352594155 /nfs/dbraw/zinc/59/41/55/352594155.db2.gz KIYAMJQGHXPOEW-INIZCTEOSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1ccc([C@H](O)CC2CCCC2)s1 ZINC000040242268 355843806 /nfs/dbraw/zinc/84/38/06/355843806.db2.gz QENOLDUHSNSBAC-LLVKDONJSA-N 0 0 210.342 3.670 10 0 BHAERN Cc1ccc([C@@H](O)CC2CCCC2)s1 ZINC000040242269 355843626 /nfs/dbraw/zinc/84/36/26/355843626.db2.gz QENOLDUHSNSBAC-NSHDSACASA-N 0 0 210.342 3.670 10 0 BHAERN Cc1ccc(C(O)c2ccc(C)s2)s1 ZINC000040242349 343399098 /nfs/dbraw/zinc/39/90/98/343399098.db2.gz BRPZSZIPFRQOEU-UHFFFAOYSA-N 0 0 224.350 3.508 10 0 BHAERN CCc1ccc([C@H](O)C2CCCC2)s1 ZINC000040242794 355845149 /nfs/dbraw/zinc/84/51/49/355845149.db2.gz GEPGJRXWVPGFBZ-GFCCVEGCSA-N 0 0 210.342 3.534 10 0 BHAERN CCc1ccc([C@@H](O)C2CCCC2)s1 ZINC000040242795 355844970 /nfs/dbraw/zinc/84/49/70/355844970.db2.gz GEPGJRXWVPGFBZ-LBPRGKRZSA-N 0 0 210.342 3.534 10 0 BHAERN CC(C)(C)[C@H](O)c1ccc(Br)cc1 ZINC000040243395 355845988 /nfs/dbraw/zinc/84/59/88/355845988.db2.gz IRBAZSFQRUTGBD-SNVBAGLBSA-N 0 0 243.144 3.529 10 0 BHAERN CC(C)(C)[C@@H](O)c1ccc(Br)cc1 ZINC000040243396 355846177 /nfs/dbraw/zinc/84/61/77/355846177.db2.gz IRBAZSFQRUTGBD-JTQLQIEISA-N 0 0 243.144 3.529 10 0 BHAERN O[C@H](c1ccc(Cl)cc1)c1ccccc1F ZINC000040243831 183228399 /nfs/dbraw/zinc/22/83/99/183228399.db2.gz ZTEUMIJDSVRAPD-CYBMUJFWSA-N 0 0 236.673 3.561 10 0 BHAERN O[C@@H](c1ccc(Cl)cc1)c1ccccc1F ZINC000040243832 183184662 /nfs/dbraw/zinc/18/46/62/183184662.db2.gz ZTEUMIJDSVRAPD-ZDUSSCGKSA-N 0 0 236.673 3.561 10 0 BHAERN CC(C)(C)C[C@H](O)c1ccc(Cl)cc1 ZINC000040243837 355848249 /nfs/dbraw/zinc/84/82/49/355848249.db2.gz SDFNHFSIZXZEAB-NSHDSACASA-N 0 0 212.720 3.810 10 0 BHAERN CC(C)(C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000040243838 355848246 /nfs/dbraw/zinc/84/82/46/355848246.db2.gz SDFNHFSIZXZEAB-LLVKDONJSA-N 0 0 212.720 3.810 10 0 BHAERN O[C@@H](c1ccccc1)c1c(F)cccc1Cl ZINC000040244027 183186213 /nfs/dbraw/zinc/18/62/13/183186213.db2.gz ARPLQRBVXAZGGS-ZDUSSCGKSA-N 0 0 236.673 3.561 10 0 BHAERN O[C@H](c1ccccc1)c1c(F)cccc1Cl ZINC000040244028 183229611 /nfs/dbraw/zinc/22/96/11/183229611.db2.gz ARPLQRBVXAZGGS-CYBMUJFWSA-N 0 0 236.673 3.561 10 0 BHAERN C[C@H](O)c1ccc2oc3ccccc3c2c1 ZINC000040245170 358234161 /nfs/dbraw/zinc/23/41/61/358234161.db2.gz YAVLCDZVGXJPIO-VIFPVBQESA-N 0 0 212.248 3.639 10 0 BHAERN C[C@@H](O)c1ccc2oc3ccccc3c2c1 ZINC000040245171 358234106 /nfs/dbraw/zinc/23/41/06/358234106.db2.gz YAVLCDZVGXJPIO-SECBINFHSA-N 0 0 212.248 3.639 10 0 BHAERN Cc1ccc([C@@H](O)c2cccc(C)c2)c(C)c1 ZINC000040245780 179201572 /nfs/dbraw/zinc/20/15/72/179201572.db2.gz MQDHGBZSNOYFCK-INIZCTEOSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1ccc([C@H](O)c2cccc(C)c2)c(C)c1 ZINC000040245781 179188882 /nfs/dbraw/zinc/18/88/82/179188882.db2.gz MQDHGBZSNOYFCK-MRXNPFEDSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1ccc([C@H](O)c2cccc(F)c2)c(C)c1 ZINC000040245796 352594966 /nfs/dbraw/zinc/59/49/66/352594966.db2.gz PNQIGMDXPJYWBP-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc([C@@H](O)c2cccc(F)c2)c(C)c1 ZINC000040245797 178869299 /nfs/dbraw/zinc/86/92/99/178869299.db2.gz PNQIGMDXPJYWBP-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc([C@H](O)c2ccccc2F)c(C)c1 ZINC000040245802 352594688 /nfs/dbraw/zinc/59/46/88/352594688.db2.gz HYRHEVWZVKTNAG-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc([C@@H](O)c2ccccc2F)c(C)c1 ZINC000040245803 178869002 /nfs/dbraw/zinc/86/90/02/178869002.db2.gz HYRHEVWZVKTNAG-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc([C@H](O)c2ccccc2C)c(C)c1 ZINC000040245902 352594899 /nfs/dbraw/zinc/59/48/99/352594899.db2.gz FEGPTWFKHIWRNF-MRXNPFEDSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1ccc([C@@H](O)c2ccccc2C)c(C)c1 ZINC000040245903 178868668 /nfs/dbraw/zinc/86/86/68/178868668.db2.gz FEGPTWFKHIWRNF-INIZCTEOSA-N 0 0 226.319 3.694 10 0 BHAERN O[C@H](CC1CCCCC1)c1cccs1 ZINC000040247619 355861747 /nfs/dbraw/zinc/86/17/47/355861747.db2.gz ZHNPXDRALPARRY-LLVKDONJSA-N 0 0 210.342 3.752 10 0 BHAERN O[C@@H](CC1CCCCC1)c1cccs1 ZINC000040247620 355861806 /nfs/dbraw/zinc/86/18/06/355861806.db2.gz ZHNPXDRALPARRY-NSHDSACASA-N 0 0 210.342 3.752 10 0 BHAERN Cc1cccc([C@H](O)c2cc(C)ccc2C)c1 ZINC000040248255 179202613 /nfs/dbraw/zinc/20/26/13/179202613.db2.gz BDIOGVSRMYNCRR-INIZCTEOSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1cccc([C@@H](O)c2cc(C)ccc2C)c1 ZINC000040248256 179188693 /nfs/dbraw/zinc/18/86/93/179188693.db2.gz BDIOGVSRMYNCRR-MRXNPFEDSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1ccc(C)c([C@H](O)c2cccc(F)c2)c1 ZINC000040248269 178502819 /nfs/dbraw/zinc/50/28/19/178502819.db2.gz NHIWBUNZIVXGFM-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc(C)c([C@@H](O)c2cccc(F)c2)c1 ZINC000040248270 386655795 /nfs/dbraw/zinc/65/57/95/386655795.db2.gz NHIWBUNZIVXGFM-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc(C)c([C@H](O)c2ccccc2F)c1 ZINC000040248275 352595058 /nfs/dbraw/zinc/59/50/58/352595058.db2.gz HPGPSZMPZCKBDF-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc(C)c([C@@H](O)c2ccccc2F)c1 ZINC000040248276 386656222 /nfs/dbraw/zinc/65/62/22/386656222.db2.gz HPGPSZMPZCKBDF-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc(C)c([C@H](O)c2ccccc2C)c1 ZINC000040248366 352594675 /nfs/dbraw/zinc/59/46/75/352594675.db2.gz ISMHFRRUFAHHMM-MRXNPFEDSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1ccc(C)c([C@@H](O)c2ccccc2C)c1 ZINC000040248367 386656089 /nfs/dbraw/zinc/65/60/89/386656089.db2.gz ISMHFRRUFAHHMM-INIZCTEOSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1cc([C@H](O)CC(C)(C)C)c(C)s1 ZINC000040257189 373135892 /nfs/dbraw/zinc/13/58/92/373135892.db2.gz VRLPCNHYLPDUID-LLVKDONJSA-N 0 0 212.358 3.835 10 0 BHAERN Cc1cc([C@@H](O)CC(C)(C)C)c(C)s1 ZINC000040257191 373136442 /nfs/dbraw/zinc/13/64/42/373136442.db2.gz VRLPCNHYLPDUID-NSHDSACASA-N 0 0 212.358 3.835 10 0 BHAERN Cc1cc([C@H](O)c2ccsc2)c(C)s1 ZINC000040257541 373136942 /nfs/dbraw/zinc/13/69/42/373136942.db2.gz LNVFTTOFXCCZPQ-LLVKDONJSA-N 0 0 224.350 3.508 10 0 BHAERN Cc1cc([C@@H](O)c2ccsc2)c(C)s1 ZINC000040257543 373136667 /nfs/dbraw/zinc/13/66/67/373136667.db2.gz LNVFTTOFXCCZPQ-NSHDSACASA-N 0 0 224.350 3.508 10 0 BHAERN CC(C)(C)C[C@H](O)c1ccc(Cl)s1 ZINC000040257680 343399034 /nfs/dbraw/zinc/39/90/34/343399034.db2.gz XCBMHJYNDTXCME-ZETCQYMHSA-N 0 0 218.749 3.871 10 0 BHAERN CC(C)(C)C[C@@H](O)c1ccc(Cl)s1 ZINC000040257681 355885148 /nfs/dbraw/zinc/88/51/48/355885148.db2.gz XCBMHJYNDTXCME-SSDOTTSWSA-N 0 0 218.749 3.871 10 0 BHAERN Cc1ccsc1[C@H](O)c1ccc(Cl)s1 ZINC000040257949 355885101 /nfs/dbraw/zinc/88/51/01/355885101.db2.gz JMKSOWLQFFMLME-SECBINFHSA-N 0 0 244.768 3.853 10 0 BHAERN Cc1ccsc1[C@@H](O)c1ccc(Cl)s1 ZINC000040257950 355885170 /nfs/dbraw/zinc/88/51/70/355885170.db2.gz JMKSOWLQFFMLME-VIFPVBQESA-N 0 0 244.768 3.853 10 0 BHAERN CC(C)Oc1ccc([C@H](O)C2CCCC2)cc1 ZINC000040258117 167300872 /nfs/dbraw/zinc/30/08/72/167300872.db2.gz CBFYEOZDHDLOKZ-OAHLLOKOSA-N 0 0 234.339 3.697 10 0 BHAERN CC(C)Oc1ccc([C@@H](O)C2CCCC2)cc1 ZINC000040258118 167298355 /nfs/dbraw/zinc/29/83/55/167298355.db2.gz CBFYEOZDHDLOKZ-HNNXBMFYSA-N 0 0 234.339 3.697 10 0 BHAERN CC(C)Oc1ccc([C@H](O)C(C)(C)C)cc1 ZINC000040258125 167301457 /nfs/dbraw/zinc/30/14/57/167301457.db2.gz GMOYCMFRFNBTJR-ZDUSSCGKSA-N 0 0 222.328 3.553 10 0 BHAERN CC(C)Oc1ccc([C@@H](O)C(C)(C)C)cc1 ZINC000040258126 167299811 /nfs/dbraw/zinc/29/98/11/167299811.db2.gz GMOYCMFRFNBTJR-CYBMUJFWSA-N 0 0 222.328 3.553 10 0 BHAERN O[C@@H](c1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000040260227 373135799 /nfs/dbraw/zinc/13/57/99/373135799.db2.gz ZZFRLWODMYCNMG-LLVKDONJSA-N 0 0 231.122 3.827 10 0 BHAERN O[C@H](c1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000040260228 373135908 /nfs/dbraw/zinc/13/59/08/373135908.db2.gz ZZFRLWODMYCNMG-NSHDSACASA-N 0 0 231.122 3.827 10 0 BHAERN CC(C)[C@H](O)c1cc(Cl)ccc1Cl ZINC000040260531 373138667 /nfs/dbraw/zinc/13/86/67/373138667.db2.gz UFEDEBPVWVTBCX-JTQLQIEISA-N 0 0 219.111 3.683 10 0 BHAERN CC(C)[C@@H](O)c1cc(Cl)ccc1Cl ZINC000040260532 373138884 /nfs/dbraw/zinc/13/88/84/373138884.db2.gz UFEDEBPVWVTBCX-SNVBAGLBSA-N 0 0 219.111 3.683 10 0 BHAERN O[C@@H](c1cc(Cl)ccc1Cl)C1CCC1 ZINC000040260637 373139764 /nfs/dbraw/zinc/13/97/64/373139764.db2.gz NAXWBUBFZOAVPL-LLVKDONJSA-N 0 0 231.122 3.827 10 0 BHAERN O[C@H](c1cc(Cl)ccc1Cl)C1CCC1 ZINC000040260638 373139750 /nfs/dbraw/zinc/13/97/50/373139750.db2.gz NAXWBUBFZOAVPL-NSHDSACASA-N 0 0 231.122 3.827 10 0 BHAERN O[C@@H](c1cc(Cl)sc1Cl)C1CCC1 ZINC000040260871 373140113 /nfs/dbraw/zinc/14/01/13/373140113.db2.gz SEWUSXMQWMLPAL-MRVPVSSYSA-N 0 0 237.151 3.888 10 0 BHAERN O[C@H](c1cc(Cl)sc1Cl)C1CCC1 ZINC000040260872 373139894 /nfs/dbraw/zinc/13/98/94/373139894.db2.gz SEWUSXMQWMLPAL-QMMMGPOBSA-N 0 0 237.151 3.888 10 0 BHAERN O[C@@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000040260951 373139955 /nfs/dbraw/zinc/13/99/55/373139955.db2.gz UKNBMAWLTVVVNR-QMMMGPOBSA-N 0 0 249.118 3.730 10 0 BHAERN O[C@H](c1ccoc1)c1cc(Cl)sc1Cl ZINC000040260952 373139745 /nfs/dbraw/zinc/13/97/45/373139745.db2.gz UKNBMAWLTVVVNR-MRVPVSSYSA-N 0 0 249.118 3.730 10 0 BHAERN O[C@@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000040260953 373139966 /nfs/dbraw/zinc/13/99/66/373139966.db2.gz MHOWFSPTTROAKT-MRVPVSSYSA-N 0 0 249.118 3.730 10 0 BHAERN O[C@H](c1ccco1)c1cc(Cl)sc1Cl ZINC000040260954 373140064 /nfs/dbraw/zinc/14/00/64/373140064.db2.gz MHOWFSPTTROAKT-QMMMGPOBSA-N 0 0 249.118 3.730 10 0 BHAERN Cc1cc(Cl)ccc1NCC(F)(F)F ZINC000040354880 373202010 /nfs/dbraw/zinc/20/20/10/373202010.db2.gz ISKBJSBSJWEIPT-UHFFFAOYSA-N 0 0 223.625 3.623 10 0 BHAERN CCC(=O)Nc1ccnc2c(C)c(Cl)ccc12 ZINC000040359185 168246880 /nfs/dbraw/zinc/24/68/80/168246880.db2.gz HLEGTNBUQTXKLU-UHFFFAOYSA-N 0 0 248.713 3.545 10 0 BHAERN Cc1cc(Nc2ccccc2)cc(C)c1O ZINC000040379244 178193434 /nfs/dbraw/zinc/19/34/34/178193434.db2.gz ZWPWXRQAOFQHDJ-UHFFFAOYSA-N 0 0 213.280 3.753 10 0 BHAERN S=c1ssnc1-c1cccs1 ZINC000040379514 183315664 /nfs/dbraw/zinc/31/56/64/183315664.db2.gz SXZUVLFPOVQNAI-UHFFFAOYSA-N 0 0 217.365 3.663 10 0 BHAERN Cc1cc(Cl)cn2cc(-c3ccccc3)nc12 ZINC000040383789 178069750 /nfs/dbraw/zinc/06/97/50/178069750.db2.gz BHQCHJDDZWMFRS-UHFFFAOYSA-N 0 0 242.709 3.963 10 0 BHAERN CCOCCCn1c2ccccc2nc1C(C)C ZINC000040389456 170385705 /nfs/dbraw/zinc/38/57/05/170385705.db2.gz KSOFJEITZBBBBM-UHFFFAOYSA-N 0 0 246.354 3.586 10 0 BHAERN c1csc(-c2cccc(-c3ccccn3)n2)c1 ZINC000040391256 183379563 /nfs/dbraw/zinc/37/95/63/183379563.db2.gz BVRGSBHPVXHTHR-UHFFFAOYSA-N 0 0 238.315 3.872 10 0 BHAERN Cc1nc2cc(Cl)ccc2n1Cc1ccco1 ZINC000040409783 180080298 /nfs/dbraw/zinc/08/02/98/180080298.db2.gz LEUZHGQTWWNLBM-UHFFFAOYSA-N 0 0 246.697 3.639 10 0 BHAERN Cc1nc2ccc(Cl)cc2n1Cc1ccco1 ZINC000040409787 180091078 /nfs/dbraw/zinc/09/10/78/180091078.db2.gz WNXGLKMMINEUKK-UHFFFAOYSA-N 0 0 246.697 3.639 10 0 BHAERN Cn1c2ccc(Cl)cc2nc1C(C)(C)C ZINC000040417042 180615679 /nfs/dbraw/zinc/61/56/79/180615679.db2.gz FCYVTSYZAMOZOR-UHFFFAOYSA-N 0 0 222.719 3.524 10 0 BHAERN CCn1c(C2CC2)nc2cccc(Cl)c21 ZINC000040417172 172142708 /nfs/dbraw/zinc/14/27/08/172142708.db2.gz UCKAHEGJSCYEMM-UHFFFAOYSA-N 0 0 220.703 3.587 10 0 BHAERN CCn1c2ccc(Cl)cc2nc1C(C)C ZINC000040417177 172134859 /nfs/dbraw/zinc/13/48/59/172134859.db2.gz HXWOXJZSYVJWBM-UHFFFAOYSA-N 0 0 222.719 3.833 10 0 BHAERN CCn1c2cc(Cl)ccc2nc1C(C)C ZINC000040417178 172134346 /nfs/dbraw/zinc/13/43/46/172134346.db2.gz LRTFYBOHFHZVGG-UHFFFAOYSA-N 0 0 222.719 3.833 10 0 BHAERN CCn1c2cc(Cl)ccc2nc1C1CC1 ZINC000040417191 172141532 /nfs/dbraw/zinc/14/15/32/172141532.db2.gz WBDAIOFJPRCFSH-UHFFFAOYSA-N 0 0 220.703 3.587 10 0 BHAERN CCn1c2ccc(Cl)cc2nc1C1CC1 ZINC000040417192 172142469 /nfs/dbraw/zinc/14/24/69/172142469.db2.gz AFVIBRVFRUFQMG-UHFFFAOYSA-N 0 0 220.703 3.587 10 0 BHAERN CCn1c2cc(Cl)ccc2nc1-c1ccco1 ZINC000040417249 172130942 /nfs/dbraw/zinc/13/09/42/172130942.db2.gz AXTRHUIPPJWABO-UHFFFAOYSA-N 0 0 246.697 3.970 10 0 BHAERN CCn1c2ccc(Cl)cc2nc1-c1ccco1 ZINC000040417250 172130316 /nfs/dbraw/zinc/13/03/16/172130316.db2.gz MQIGMXCNLYZSEU-UHFFFAOYSA-N 0 0 246.697 3.970 10 0 BHAERN Cc1nc2cc(C(F)(F)F)ccc2n1C(C)C ZINC000040417280 180078266 /nfs/dbraw/zinc/07/82/66/180078266.db2.gz WTTRIXIWZHFCPT-UHFFFAOYSA-N 0 0 242.244 3.944 10 0 BHAERN Cc1nc2cc(Cl)ccc2n1C(C)C ZINC000040417337 180079900 /nfs/dbraw/zinc/07/99/00/180079900.db2.gz ALBPYCUITZRGDQ-UHFFFAOYSA-N 0 0 208.692 3.579 10 0 BHAERN Cc1nc2ccc(Cl)cc2n1C(C)C ZINC000040417338 180090861 /nfs/dbraw/zinc/09/08/61/180090861.db2.gz OTCCQOKUTHAGRN-UHFFFAOYSA-N 0 0 208.692 3.579 10 0 BHAERN CCc1nc2cc(Cl)ccc2n1C(C)C ZINC000040417339 172010924 /nfs/dbraw/zinc/01/09/24/172010924.db2.gz SNJSTOJWXPZJHT-UHFFFAOYSA-N 0 0 222.719 3.833 10 0 BHAERN CCc1nc2ccc(Cl)cc2n1C(C)C ZINC000040417340 172012945 /nfs/dbraw/zinc/01/29/45/172012945.db2.gz ZTFMDWUZRYXKMZ-UHFFFAOYSA-N 0 0 222.719 3.833 10 0 BHAERN CCCn1c(C)nc2cc(C(F)(F)F)ccc21 ZINC000040417440 169612083 /nfs/dbraw/zinc/61/20/83/169612083.db2.gz PPLXUMJVIOGUGA-UHFFFAOYSA-N 0 0 242.244 3.774 10 0 BHAERN Cc1nc2cc(Cl)ccc2n1CC(C)C ZINC000040417654 180080455 /nfs/dbraw/zinc/08/04/55/180080455.db2.gz WOGPERWVYUYEKQ-UHFFFAOYSA-N 0 0 222.719 3.654 10 0 BHAERN Cc1nc2ccc(Cl)cc2n1CC(C)C ZINC000040417655 180090968 /nfs/dbraw/zinc/09/09/68/180090968.db2.gz IKTRRBHNJQFHNU-UHFFFAOYSA-N 0 0 222.719 3.654 10 0 BHAERN CCc1nc2cc(Cl)ccc2n1CC(C)C ZINC000040417656 172010428 /nfs/dbraw/zinc/01/04/28/172010428.db2.gz XZBVTNOBTJFICJ-UHFFFAOYSA-N 0 0 236.746 3.908 10 0 BHAERN CCc1nc2ccc(Cl)cc2n1CC(C)C ZINC000040417657 172011834 /nfs/dbraw/zinc/01/18/34/172011834.db2.gz LPRRMRNHGBYTAU-UHFFFAOYSA-N 0 0 236.746 3.908 10 0 BHAERN Fc1cc(Cl)ccc1NCc1cscn1 ZINC000040420211 187273614 /nfs/dbraw/zinc/27/36/14/187273614.db2.gz SXKKNUJFPTVAFR-UHFFFAOYSA-N 0 0 242.706 3.548 10 0 BHAERN COc1cccc(-c2nc3cc(F)ccc3o2)c1 ZINC000040424860 175236139 /nfs/dbraw/zinc/23/61/39/175236139.db2.gz MVHAQEJDZSICDL-UHFFFAOYSA-N 0 0 243.237 3.643 10 0 BHAERN Cc1cc(CCc2ccccc2)cc(C)c1O ZINC000040429486 177965996 /nfs/dbraw/zinc/96/59/96/177965996.db2.gz OPYGHFKJUDJGLJ-UHFFFAOYSA-N 0 0 226.319 3.794 10 0 BHAERN CC(C)c1ccc(Nc2cc(Cl)ncn2)cc1 ZINC000040431939 358236396 /nfs/dbraw/zinc/23/63/96/358236396.db2.gz QECWXEKMOKKSNA-UHFFFAOYSA-N 0 0 247.729 3.997 10 0 BHAERN Clc1cc(NC2CCCCCCC2)ncn1 ZINC000040431952 373262832 /nfs/dbraw/zinc/26/28/32/373262832.db2.gz UOWYPGDSDIKAJT-UHFFFAOYSA-N 0 0 239.750 3.655 10 0 BHAERN Nc1cccc(OCc2ccccc2)c1Cl ZINC000040435317 350363192 /nfs/dbraw/zinc/36/31/92/350363192.db2.gz VLQMYHQFXHDKJL-UHFFFAOYSA-N 0 0 233.698 3.501 10 0 BHAERN O=C(Cc1ccccc1)c1ccc2[nH]ccc2c1 ZINC000040435403 182045554 /nfs/dbraw/zinc/04/55/54/182045554.db2.gz JCIKXZWWCXOYPA-UHFFFAOYSA-N 0 0 235.286 3.593 10 0 BHAERN Clc1cn(Cc2ccccc2)c2ncccc12 ZINC000040442630 180597631 /nfs/dbraw/zinc/59/76/31/180597631.db2.gz YCKXZASITBMUDH-UHFFFAOYSA-N 0 0 242.709 3.738 10 0 BHAERN CC(=O)c1cc(C)c(Cl)cc1Cl ZINC000040448730 386200241 /nfs/dbraw/zinc/20/02/41/386200241.db2.gz DZDCIYMTIDCNFA-UHFFFAOYSA-N 0 0 203.068 3.504 10 0 BHAERN O[C@@H](c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000040451650 358236433 /nfs/dbraw/zinc/23/64/33/358236433.db2.gz TUJCOTOISNLJGQ-KRWDZBQOSA-N 0 0 238.330 3.647 10 0 BHAERN O[C@H](c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000040451651 358236293 /nfs/dbraw/zinc/23/62/93/358236293.db2.gz TUJCOTOISNLJGQ-QGZVFWFLSA-N 0 0 238.330 3.647 10 0 BHAERN CCC[C@H](O)c1csc2ccccc21 ZINC000040451684 373276423 /nfs/dbraw/zinc/27/64/23/373276423.db2.gz OAHKCNYQEPOIGT-NSHDSACASA-N 0 0 206.310 3.735 10 0 BHAERN CCC[C@@H](O)c1csc2ccccc21 ZINC000040451685 373277343 /nfs/dbraw/zinc/27/73/43/373277343.db2.gz OAHKCNYQEPOIGT-LLVKDONJSA-N 0 0 206.310 3.735 10 0 BHAERN O[C@@H](c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000040451708 183184715 /nfs/dbraw/zinc/18/47/15/183184715.db2.gz ZGRGYDBIORRLOX-ZETCQYMHSA-N 0 0 245.027 3.589 10 0 BHAERN O[C@H](c1cc(Cl)ccc1Cl)C(F)(F)F ZINC000040451709 183228729 /nfs/dbraw/zinc/22/87/29/183228729.db2.gz ZGRGYDBIORRLOX-SSDOTTSWSA-N 0 0 245.027 3.589 10 0 BHAERN CC(C)(C)Cn1c(=S)[nH]nc1-c1ccccc1 ZINC000040494704 582676051 /nfs/dbraw/zinc/67/60/51/582676051.db2.gz YXGGVFFDTPQVSG-UHFFFAOYSA-N 0 0 247.367 3.654 10 0 BHAERN Clc1c[nH]c2cccc(Br)c12 ZINC000040538318 343406884 /nfs/dbraw/zinc/40/68/84/343406884.db2.gz JKBXVXTXJCYRRY-UHFFFAOYSA-N 0 0 230.492 3.584 10 0 BHAERN CC(C)(C)c1ccc([C@H](O)Cn2cccc2)cc1 ZINC000040539306 187393524 /nfs/dbraw/zinc/39/35/24/187393524.db2.gz NDAVJZQIORJSTB-OAHLLOKOSA-N 0 0 243.350 3.519 10 0 BHAERN CC(C)(C)c1ccc(Cc2ccc(C=O)o2)cc1 ZINC000040542746 188256496 /nfs/dbraw/zinc/25/64/96/188256496.db2.gz VHWCHGOWFKJRTK-UHFFFAOYSA-N 0 0 242.318 3.980 10 0 BHAERN Cc1cc(Cl)ncc1-c1cccs1 ZINC000040546566 178072598 /nfs/dbraw/zinc/07/25/98/178072598.db2.gz KTYKSKRYIDNCIR-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN Cc1ccccc1C1=N[C@H](c2ccccc2)CO1 ZINC000040567311 179256310 /nfs/dbraw/zinc/25/63/10/179256310.db2.gz CHLYZZSXQFAGFZ-HNNXBMFYSA-N 0 0 237.302 3.513 10 0 BHAERN Cc1ccccc1C1=N[C@@H](c2ccccc2)CO1 ZINC000040567312 179256599 /nfs/dbraw/zinc/25/65/99/179256599.db2.gz CHLYZZSXQFAGFZ-OAHLLOKOSA-N 0 0 237.302 3.513 10 0 BHAERN Cc1ccc(C2=N[C@H](c3ccccc3)CO2)cc1 ZINC000040567602 178513929 /nfs/dbraw/zinc/51/39/29/178513929.db2.gz ITIICSKGFPUINV-HNNXBMFYSA-N 0 0 237.302 3.513 10 0 BHAERN Cc1cccc(Sc2ccc(Cl)nn2)c1 ZINC000040696345 179177770 /nfs/dbraw/zinc/17/77/70/179177770.db2.gz SFUHSUQGDUWWGE-UHFFFAOYSA-N 0 0 236.727 3.590 10 0 BHAERN Fc1cccc(Oc2ccccc2Cl)n1 ZINC000040711414 359881405 /nfs/dbraw/zinc/88/14/05/359881405.db2.gz XJUWXQXVKQKHCS-UHFFFAOYSA-N 0 0 223.634 3.666 10 0 BHAERN Fc1cccc(Oc2ccc(Cl)cc2)n1 ZINC000040711415 359881686 /nfs/dbraw/zinc/88/16/86/359881686.db2.gz OHAQFKCPANFXLJ-UHFFFAOYSA-N 0 0 223.634 3.666 10 0 BHAERN Fc1cccc(Nc2cccc(Cl)c2)n1 ZINC000040711730 359881166 /nfs/dbraw/zinc/88/11/66/359881166.db2.gz XTYJHAWXOUSZLI-UHFFFAOYSA-N 0 0 222.650 3.618 10 0 BHAERN Fc1cccc(Sc2ccccc2F)n1 ZINC000040712372 373631855 /nfs/dbraw/zinc/63/18/55/373631855.db2.gz IAPVKVHLQKEAKZ-UHFFFAOYSA-N 0 0 223.247 3.511 10 0 BHAERN Fc1cccc(SC2CCCCC2)n1 ZINC000040712467 373631880 /nfs/dbraw/zinc/63/18/80/373631880.db2.gz GZWIEEIRODTFAZ-UHFFFAOYSA-N 0 0 211.305 3.646 10 0 BHAERN Cc1cccc(Sc2cccc(F)n2)c1 ZINC000040712477 373632228 /nfs/dbraw/zinc/63/22/28/373632228.db2.gz UPPXBFUDCKQJKG-UHFFFAOYSA-N 0 0 219.284 3.680 10 0 BHAERN CC(C)CNc1ccc(F)c(C(F)(F)F)c1 ZINC000040712554 167016422 /nfs/dbraw/zinc/01/64/22/167016422.db2.gz UJIIIZALJGCOCS-UHFFFAOYSA-N 0 0 235.224 3.912 10 0 BHAERN CCCNc1ccc(F)c(C(F)(F)F)c1 ZINC000040712665 169294557 /nfs/dbraw/zinc/29/45/57/169294557.db2.gz GBBBUHHYLHJVQZ-UHFFFAOYSA-N 0 0 221.197 3.666 10 0 BHAERN CCc1ccc([C@@H](C)Nc2cc(C)ncn2)cc1 ZINC000040727340 398168728 /nfs/dbraw/zinc/16/87/28/398168728.db2.gz JRCDGXHRDBOIRZ-GFCCVEGCSA-N 0 0 241.338 3.521 10 0 BHAERN CCc1ccc([C@H](C)Nc2cc(C)ncn2)cc1 ZINC000040727342 171840655 /nfs/dbraw/zinc/84/06/55/171840655.db2.gz JRCDGXHRDBOIRZ-LBPRGKRZSA-N 0 0 241.338 3.521 10 0 BHAERN CC(C)c1cc(N[C@@H](C)c2cccs2)ncn1 ZINC000040766293 358499592 /nfs/dbraw/zinc/49/95/92/358499592.db2.gz COYPMRLMGJUOKM-JTQLQIEISA-N 0 0 247.367 3.835 10 0 BHAERN CC(C)c1cc(N[C@H](C)c2cccs2)ncn1 ZINC000040766295 358499423 /nfs/dbraw/zinc/49/94/23/358499423.db2.gz COYPMRLMGJUOKM-SNVBAGLBSA-N 0 0 247.367 3.835 10 0 BHAERN Cc1ccc([C@@H](C)Nc2cc(C(C)C)ncn2)o1 ZINC000040766500 387582485 /nfs/dbraw/zinc/58/24/85/387582485.db2.gz CKUCNLBLCVTFNF-LLVKDONJSA-N 0 0 245.326 3.675 10 0 BHAERN Cc1ccc([C@H](C)Nc2cc(C(C)C)ncn2)o1 ZINC000040766502 358499682 /nfs/dbraw/zinc/49/96/82/358499682.db2.gz CKUCNLBLCVTFNF-NSHDSACASA-N 0 0 245.326 3.675 10 0 BHAERN O=Cc1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000040770713 358245959 /nfs/dbraw/zinc/24/59/59/358245959.db2.gz BINQVQJAXHANGB-UHFFFAOYSA-N 0 0 236.192 3.583 10 0 BHAERN O=Cc1cccc(-c2cc(F)c(F)c(F)c2)c1 ZINC000040770721 373702250 /nfs/dbraw/zinc/70/22/50/373702250.db2.gz YYNKEYGGSSVHEG-UHFFFAOYSA-N 0 0 236.192 3.583 10 0 BHAERN O=Cc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000040770725 641536643 /nfs/dbraw/zinc/53/66/43/641536643.db2.gz RZRMQDWTJYTEBI-UHFFFAOYSA-N 0 0 236.192 3.583 10 0 BHAERN c1cc(-c2nc(-c3ccccc3)c[nH]2)cs1 ZINC000040846125 183378391 /nfs/dbraw/zinc/37/83/91/183378391.db2.gz IDFFCWZSEOQKKM-UHFFFAOYSA-N 0 0 226.304 3.805 10 0 BHAERN S=c1ssnc1-c1ccccc1 ZINC000040862860 183315687 /nfs/dbraw/zinc/31/56/87/183315687.db2.gz NBJKKLYWWGHMLD-UHFFFAOYSA-N 0 0 211.336 3.601 10 0 BHAERN c1cncc(-c2ccc3c(c2)CCCC3)c1 ZINC000040863212 387500637 /nfs/dbraw/zinc/50/06/37/387500637.db2.gz WGNJGUOGXBTDMP-UHFFFAOYSA-N 0 0 209.292 3.627 10 0 in-vivo BHAERN c1ccc(-c2ccc3cc4c(cc3n2)OCO4)cc1 ZINC000040864768 183379708 /nfs/dbraw/zinc/37/97/08/183379708.db2.gz CGMFCRLSMYNYJO-UHFFFAOYSA-N 0 0 249.269 3.631 10 0 BHAERN Cc1ccc(/C=C/C(=O)Oc2ccccc2)cc1 ZINC000040868377 178354448 /nfs/dbraw/zinc/35/44/48/178354448.db2.gz BVSAYFIRBFPURL-VAWYXSNFSA-N 0 0 238.286 3.614 10 0 BHAERN Fc1ccc(-c2nssc2=S)cc1 ZINC000040881360 180960211 /nfs/dbraw/zinc/96/02/11/180960211.db2.gz FWVNQQYBDNEWJC-UHFFFAOYSA-N 0 0 229.326 3.740 10 0 BHAERN CC(C)=CC(=O)Oc1ccccc1C(C)(C)C ZINC000040882729 188292999 /nfs/dbraw/zinc/29/29/99/188292999.db2.gz OULNSJXBOFGBCC-UHFFFAOYSA-N 0 0 232.323 3.856 10 0 BHAERN CC(C)(C)c1ccccc1OC(=O)c1ccco1 ZINC000040883127 188118194 /nfs/dbraw/zinc/11/81/94/188118194.db2.gz HUGBPTBAGBQJOB-UHFFFAOYSA-N 0 0 244.290 3.796 10 0 BHAERN CCCc1ccc(OC(=O)C=C(C)C)cc1 ZINC000040884112 169572800 /nfs/dbraw/zinc/57/28/00/169572800.db2.gz XKVCHHXZZJKXOE-UHFFFAOYSA-N 0 0 218.296 3.511 10 0 BHAERN CC(C)Cc1nc(-c2ccc(N)cc2)cs1 ZINC000040887213 188292808 /nfs/dbraw/zinc/29/28/08/188292808.db2.gz YHZHYJWQLXWWMK-UHFFFAOYSA-N 0 0 232.352 3.591 10 0 BHAERN CC(C)c1nc(-c2ccc(N)cc2)cs1 ZINC000040887216 188149805 /nfs/dbraw/zinc/14/98/05/188149805.db2.gz LOIRDGTZLVZLQG-UHFFFAOYSA-N 0 0 218.325 3.516 10 0 BHAERN CC(C)(C)c1nc(-c2ccc(N)cc2)cs1 ZINC000040887221 188293022 /nfs/dbraw/zinc/29/30/22/188293022.db2.gz IPAKUXTWJYLQBW-UHFFFAOYSA-N 0 0 232.352 3.690 10 0 BHAERN CC(C)Cc1nc(-c2ccccc2N)cs1 ZINC000040887292 187428531 /nfs/dbraw/zinc/42/85/31/187428531.db2.gz LWGNANMNHGYWKU-UHFFFAOYSA-N 0 0 232.352 3.591 10 0 BHAERN CC(C)c1nc(-c2ccccc2N)cs1 ZINC000040887295 187458393 /nfs/dbraw/zinc/45/83/93/187458393.db2.gz IEFWQQXQLUOFKY-UHFFFAOYSA-N 0 0 218.325 3.516 10 0 BHAERN CC(C)(C)c1nc(-c2ccccc2N)cs1 ZINC000040887301 188118388 /nfs/dbraw/zinc/11/83/88/188118388.db2.gz HKGGQFFMOCVNGP-UHFFFAOYSA-N 0 0 232.352 3.690 10 0 BHAERN CCC(=O)Oc1ccc(C)cc1C(C)(C)C ZINC000040889734 168250907 /nfs/dbraw/zinc/25/09/07/168250907.db2.gz BDBBUBKIUIWMSY-UHFFFAOYSA-N 0 0 220.312 3.608 10 0 BHAERN CCCC(=O)Oc1ccccc1C(C)(C)C ZINC000040889740 168571546 /nfs/dbraw/zinc/57/15/46/168571546.db2.gz JGLUTZUIPPPTCF-UHFFFAOYSA-N 0 0 220.312 3.690 10 0 BHAERN CCC(C)(C)O[C@@H](C)c1cccc(N)c1 ZINC000040908502 168304620 /nfs/dbraw/zinc/30/46/20/168304620.db2.gz GARZFZFOIVXUGN-JTQLQIEISA-N 0 0 207.317 3.535 10 0 BHAERN CCC(C)(C)O[C@H](C)c1cccc(N)c1 ZINC000040908503 168304761 /nfs/dbraw/zinc/30/47/61/168304761.db2.gz GARZFZFOIVXUGN-SNVBAGLBSA-N 0 0 207.317 3.535 10 0 BHAERN C[C@H](SCc1ccco1)c1cccc(N)c1 ZINC000040908654 177027793 /nfs/dbraw/zinc/02/77/93/177027793.db2.gz ILPRDOXRRONKDK-JTQLQIEISA-N 0 0 233.336 3.856 10 0 BHAERN C[C@@H](SCc1ccco1)c1cccc(N)c1 ZINC000040908655 176008699 /nfs/dbraw/zinc/00/86/99/176008699.db2.gz ILPRDOXRRONKDK-SNVBAGLBSA-N 0 0 233.336 3.856 10 0 BHAERN C[C@H](OCc1ccccc1)c1ccc(N)cc1 ZINC000040908974 177021870 /nfs/dbraw/zinc/02/18/70/177021870.db2.gz OCIOWKYOSVAVBC-LBPRGKRZSA-N 0 0 227.307 3.547 10 0 BHAERN C[C@@H](OCc1ccccc1)c1ccc(N)cc1 ZINC000040908975 176003457 /nfs/dbraw/zinc/00/34/57/176003457.db2.gz OCIOWKYOSVAVBC-GFCCVEGCSA-N 0 0 227.307 3.547 10 0 BHAERN CCC(C)(C)O[C@@H](C)c1ccc(N)cc1 ZINC000040909168 168304374 /nfs/dbraw/zinc/30/43/74/168304374.db2.gz XODAILPHUQOOIE-JTQLQIEISA-N 0 0 207.317 3.535 10 0 BHAERN CCC(C)(C)O[C@H](C)c1ccc(N)cc1 ZINC000040909169 168303753 /nfs/dbraw/zinc/30/37/53/168303753.db2.gz XODAILPHUQOOIE-SNVBAGLBSA-N 0 0 207.317 3.535 10 0 BHAERN C[C@H](SCc1ccco1)c1ccc(N)cc1 ZINC000040909320 177027797 /nfs/dbraw/zinc/02/77/97/177027797.db2.gz OCAQYGWEYNBSLO-JTQLQIEISA-N 0 0 233.336 3.856 10 0 BHAERN C[C@@H](SCc1ccco1)c1ccc(N)cc1 ZINC000040909321 176008690 /nfs/dbraw/zinc/00/86/90/176008690.db2.gz OCAQYGWEYNBSLO-SNVBAGLBSA-N 0 0 233.336 3.856 10 0 BHAERN COc1ccc(/C=C\c2ccccc2)cc1OC ZINC000040918236 175049343 /nfs/dbraw/zinc/04/93/43/175049343.db2.gz BSHIPXLJHQKYFU-HJWRWDBZSA-N 0 0 240.302 3.874 10 0 BHAERN CCc1c(C)nn(C2CCCCC2)c1C ZINC000040928382 171742031 /nfs/dbraw/zinc/74/20/31/171742031.db2.gz QOXHHQLYLVZVIT-UHFFFAOYSA-N 0 0 206.333 3.568 10 0 BHAERN CC(C)C(=O)c1ccc(Cl)cc1Cl ZINC000040930047 373933747 /nfs/dbraw/zinc/93/37/47/373933747.db2.gz ROVSDLHZSVZIFC-UHFFFAOYSA-N 0 0 217.095 3.832 10 0 BHAERN O[C@@H](c1ccc(Cl)cc1Cl)C1CCC1 ZINC000040941066 360914054 /nfs/dbraw/zinc/91/40/54/360914054.db2.gz LHCAPICKAKPBFX-LLVKDONJSA-N 0 0 231.122 3.827 10 0 BHAERN O[C@H](c1ccc(Cl)cc1Cl)C1CCC1 ZINC000040941067 360913533 /nfs/dbraw/zinc/91/35/33/360913533.db2.gz LHCAPICKAKPBFX-NSHDSACASA-N 0 0 231.122 3.827 10 0 BHAERN Oc1ccc2nc(-c3ccc(F)cc3)sc2c1 ZINC000040950331 183284041 /nfs/dbraw/zinc/28/40/41/183284041.db2.gz AMGGIBWEIGCKRZ-UHFFFAOYSA-N 0 0 245.278 3.808 10 0 BHAERN Cc1ccn2cc(-c3cc(C)ccc3C)nc2c1 ZINC000040965350 384171203 /nfs/dbraw/zinc/17/12/03/384171203.db2.gz HETHPOXPYXPQKP-UHFFFAOYSA-N 0 0 236.318 3.927 10 0 BHAERN Cc1ccn2cc(-c3ccc(C)cc3C)nc2c1 ZINC000040965353 178328053 /nfs/dbraw/zinc/32/80/53/178328053.db2.gz GNTZKEAPAQKXGQ-UHFFFAOYSA-N 0 0 236.318 3.927 10 0 BHAERN Cc1cc(Oc2ccccc2)cc(C)c1O ZINC000040972246 178215593 /nfs/dbraw/zinc/21/55/93/178215593.db2.gz QLICLIOCRCQRRZ-UHFFFAOYSA-N 0 0 214.264 3.801 10 0 BHAERN COc1ccc(-c2nc3cc(F)ccc3o2)cc1 ZINC000040976273 175040721 /nfs/dbraw/zinc/04/07/21/175040721.db2.gz XAUBHNVEYUDFAH-UHFFFAOYSA-N 0 0 243.237 3.643 10 0 BHAERN CCc1ccc(-c2cn3c(cccc3C)n2)cc1 ZINC000040980489 171778832 /nfs/dbraw/zinc/77/88/32/171778832.db2.gz SBHSTXYRKFNSRH-UHFFFAOYSA-N 0 0 236.318 3.872 10 0 BHAERN Cc1ccc(-c2cn3c(cccc3C)n2)cc1C ZINC000040980491 178328180 /nfs/dbraw/zinc/32/81/80/178328180.db2.gz XKKAMIJJALBKSW-UHFFFAOYSA-N 0 0 236.318 3.927 10 0 BHAERN Cc1ccc(C)c(-c2cn3c(cccc3C)n2)c1 ZINC000040980493 178460499 /nfs/dbraw/zinc/46/04/99/178460499.db2.gz YDVUXWLVSQNHQQ-UHFFFAOYSA-N 0 0 236.318 3.927 10 0 BHAERN Cc1ccc(-c2cn3c(cccc3C)n2)c(C)c1 ZINC000040980495 178327319 /nfs/dbraw/zinc/32/73/19/178327319.db2.gz ZOLXEHNNZLJAHQ-UHFFFAOYSA-N 0 0 236.318 3.927 10 0 BHAERN Cc1ccc(C=O)c(-c2ccc(N(C)C)cc2)c1 ZINC000040981266 178514312 /nfs/dbraw/zinc/51/43/12/178514312.db2.gz LFNCMNCYNZAWKR-UHFFFAOYSA-N 0 0 239.318 3.541 10 0 BHAERN CC(C)c1ccc(-c2ncc(C=O)s2)cc1 ZINC000040996414 167583036 /nfs/dbraw/zinc/58/30/36/167583036.db2.gz DVJIQAUTMPFVOW-UHFFFAOYSA-N 0 0 231.320 3.746 10 0 BHAERN CC(C)(C)c1ccc(-c2ncc(C=O)s2)cc1 ZINC000040996493 187774985 /nfs/dbraw/zinc/77/49/85/187774985.db2.gz HEQQPVPHHDPYTA-UHFFFAOYSA-N 0 0 245.347 3.920 10 0 BHAERN CC(C)(C)c1ccc(-c2ncc(C[NH3+])s2)cc1 ZINC000040996843 361068225 /nfs/dbraw/zinc/06/82/25/361068225.db2.gz MAKGFUTXQSDKQB-UHFFFAOYSA-N 0 0 246.379 3.566 10 0 BHAERN Cc1ccc(C)c(-c2cn3ccsc3n2)c1 ZINC000041005608 641538441 /nfs/dbraw/zinc/53/84/41/641538441.db2.gz HWKKUBMFBWWEPL-UHFFFAOYSA-N 0 0 228.320 3.680 10 0 BHAERN Cc1ccc(-c2cn3ccsc3n2)c(C)c1 ZINC000041005616 178327795 /nfs/dbraw/zinc/32/77/95/178327795.db2.gz VHDMXRBHBIAZTQ-UHFFFAOYSA-N 0 0 228.320 3.680 10 0 BHAERN Cc1csc2nc(-c3ccc(C)c(C)c3)cn12 ZINC000041005625 178328107 /nfs/dbraw/zinc/32/81/07/178328107.db2.gz TUJCRQVGNHOTLE-UHFFFAOYSA-N 0 0 242.347 3.988 10 0 BHAERN Cc1csc2nc(-c3ccc(C)cc3C)cn12 ZINC000041005635 178327896 /nfs/dbraw/zinc/32/78/96/178327896.db2.gz PKIFAXXQCWKCFO-UHFFFAOYSA-N 0 0 242.347 3.988 10 0 BHAERN Cc1cccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000041047025 179154267 /nfs/dbraw/zinc/15/42/67/179154267.db2.gz BODOECQNWNCWDS-OUCADQQQSA-N 0 0 201.313 3.596 10 0 BHAERN Cc1cccc(N[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000041047026 179158718 /nfs/dbraw/zinc/15/87/18/179158718.db2.gz BODOECQNWNCWDS-SCRDCRAPSA-N 0 0 201.313 3.596 10 0 BHAERN CCc1cccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000041047117 384175510 /nfs/dbraw/zinc/17/55/10/384175510.db2.gz PMVOQSYHJNMIEO-GZBFAFLISA-N 0 0 215.340 3.850 10 0 BHAERN CCc1cccc(N[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000041047118 384176969 /nfs/dbraw/zinc/17/69/69/384176969.db2.gz PMVOQSYHJNMIEO-GUTXKFCHSA-N 0 0 215.340 3.850 10 0 BHAERN Cc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000041047125 343413403 /nfs/dbraw/zinc/41/34/03/343413403.db2.gz ZMDAOFDCVYJFBF-OUCADQQQSA-N 0 0 201.313 3.596 10 0 BHAERN Cc1ccc(N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000041047126 343413593 /nfs/dbraw/zinc/41/35/93/343413593.db2.gz ZMDAOFDCVYJFBF-SCRDCRAPSA-N 0 0 201.313 3.596 10 0 BHAERN Cc1ccccc1N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000041047131 179307177 /nfs/dbraw/zinc/30/71/77/179307177.db2.gz IXPHLXKNXZESEE-OUCADQQQSA-N 0 0 201.313 3.596 10 0 BHAERN Cc1ccccc1N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000041047132 179307295 /nfs/dbraw/zinc/30/72/95/179307295.db2.gz IXPHLXKNXZESEE-SCRDCRAPSA-N 0 0 201.313 3.596 10 0 BHAERN Cc1cc(-c2ccc(Cl)cc2N)c(C)o1 ZINC000041048906 177684398 /nfs/dbraw/zinc/68/43/98/177684398.db2.gz NFEXUHAZMSNNJJ-UHFFFAOYSA-N 0 0 221.687 3.799 10 0 BHAERN Cc1cc(-c2cc(Cl)ccc2N)c(C)o1 ZINC000041048909 177682651 /nfs/dbraw/zinc/68/26/51/177682651.db2.gz ICJXBBSOUYUSLA-UHFFFAOYSA-N 0 0 221.687 3.799 10 0 BHAERN Nc1cc(Cl)ccc1-c1cccs1 ZINC000041048931 361187594 /nfs/dbraw/zinc/18/75/94/361187594.db2.gz IMYHPHMTBDQQRR-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Nc1ccc(Cl)cc1-c1cccs1 ZINC000041048933 361187728 /nfs/dbraw/zinc/18/77/28/361187728.db2.gz BVOZYQVQLKDGNY-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN CCc1ccc(-c2cccs2)cc1N ZINC000041048940 361187547 /nfs/dbraw/zinc/18/75/47/361187547.db2.gz IKDAJLBGSRXGTK-UHFFFAOYSA-N 0 0 203.310 3.560 10 0 BHAERN Nc1ccc(-c2cccs2)c(Cl)c1 ZINC000041048941 361187706 /nfs/dbraw/zinc/18/77/06/361187706.db2.gz JVUSEANYTXGKRQ-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Nc1ccc(Cl)c(-c2cccs2)c1 ZINC000041048943 361187424 /nfs/dbraw/zinc/18/74/24/361187424.db2.gz QNMHPFMYSGGYRT-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Nc1cc(-c2cccs2)ccc1Cl ZINC000041048948 361187472 /nfs/dbraw/zinc/18/74/72/361187472.db2.gz ZAIRQGJCCIMDBJ-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Cc1ccc(-c2ccc(N)cc2C)s1 ZINC000041048952 361187447 /nfs/dbraw/zinc/18/74/47/361187447.db2.gz SABWGPFMQUDRAQ-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccc(-c2cc(N)ccc2C)s1 ZINC000041048953 361187443 /nfs/dbraw/zinc/18/74/43/361187443.db2.gz HRQJHQSHWWLEBT-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccc(-c2ccc(C)c(N)c2)s1 ZINC000041048957 361187470 /nfs/dbraw/zinc/18/74/70/361187470.db2.gz PVFJTMVBVSROEP-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccc(-c2cc(Cl)ccc2N)s1 ZINC000041048959 361188915 /nfs/dbraw/zinc/18/89/15/361188915.db2.gz BZFGKXISZFESER-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Cc1ccc(-c2ccc(C)cc2N)s1 ZINC000041048960 361188666 /nfs/dbraw/zinc/18/86/66/361188666.db2.gz AJUYHZCICZCSIZ-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccc(-c2cccc(N)c2C)s1 ZINC000041048963 361189001 /nfs/dbraw/zinc/18/90/01/361189001.db2.gz DAXGNKBQKTWPIW-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccc(-c2ccc(N)cc2Cl)s1 ZINC000041048968 361189005 /nfs/dbraw/zinc/18/90/05/361189005.db2.gz MFUBUGSSRPFNNZ-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Cc1ccc(-c2cc(N)ccc2Cl)s1 ZINC000041048971 361188689 /nfs/dbraw/zinc/18/86/89/361188689.db2.gz LGYVYEGLWBWQDB-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Nc1ccccc1-c1ccc(Cl)s1 ZINC000041048976 361188535 /nfs/dbraw/zinc/18/85/35/361188535.db2.gz ZYRJCMRBJDOHOK-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Cc1cc(N)ccc1-c1ccc(Cl)s1 ZINC000041048979 361188882 /nfs/dbraw/zinc/18/88/82/361188882.db2.gz SRTLFHVSBGYQCS-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Nc1cccc(-c2ccc(Cl)s2)c1 ZINC000041048982 361188643 /nfs/dbraw/zinc/18/86/43/361188643.db2.gz ISZVVHQNSZUPDH-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Cc1ccc(-c2ccc(Cl)s2)c(N)c1 ZINC000041048987 361189017 /nfs/dbraw/zinc/18/90/17/361189017.db2.gz NWCOVUMUVYKLPY-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Cc1c(N)cccc1-c1ccc(Cl)s1 ZINC000041048990 361188732 /nfs/dbraw/zinc/18/87/32/361188732.db2.gz ACFJKDKTJJNPML-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Nc1ccc(-c2ccc(Cl)s2)cc1 ZINC000041048996 361188884 /nfs/dbraw/zinc/18/88/84/361188884.db2.gz MGSPSMAGHCVLHS-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Nc1ccc(F)c(-c2ccc(Cl)s2)c1 ZINC000041048997 361188989 /nfs/dbraw/zinc/18/89/89/361188989.db2.gz ATOXHEDIPKIUTH-UHFFFAOYSA-N 0 0 227.691 3.790 10 0 BHAERN Nc1cc(F)ccc1-c1ccc(Cl)s1 ZINC000041048999 361188494 /nfs/dbraw/zinc/18/84/94/361188494.db2.gz QPKIEIJKNSGPES-UHFFFAOYSA-N 0 0 227.691 3.790 10 0 BHAERN COc1ccc(N)cc1-c1cc(C)sc1C ZINC000041049032 175137549 /nfs/dbraw/zinc/13/75/49/175137549.db2.gz WBTQXEUEUGXWFC-UHFFFAOYSA-N 0 0 233.336 3.623 10 0 BHAERN Cc1cc(-c2cccc(N)c2)c(C)s1 ZINC000041049036 361188871 /nfs/dbraw/zinc/18/88/71/361188871.db2.gz UQDCCSZGFXMJRD-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN COc1ccc(-c2cc(C)sc2C)c(N)c1 ZINC000041049045 175031082 /nfs/dbraw/zinc/03/10/82/175031082.db2.gz FNNKMANAJBFYPH-UHFFFAOYSA-N 0 0 233.336 3.623 10 0 BHAERN Cc1cc(-c2cc(N)ccc2F)c(C)s1 ZINC000041049051 177682134 /nfs/dbraw/zinc/68/21/34/177682134.db2.gz RANYICZGMLRTJM-UHFFFAOYSA-N 0 0 221.300 3.753 10 0 BHAERN CCOc1ccccc1NCC(C)(C)C ZINC000041051078 170594935 /nfs/dbraw/zinc/59/49/35/170594935.db2.gz MSKSUQMXAVTDQD-UHFFFAOYSA-N 0 0 207.317 3.543 10 0 BHAERN CC(C)(C)CNc1ccccc1Br ZINC000041051115 166593442 /nfs/dbraw/zinc/59/34/42/166593442.db2.gz FKWKPDPVZBURRH-UHFFFAOYSA-N 0 0 242.160 3.907 10 0 BHAERN CC(C)(C)CNc1ccc(Br)cc1 ZINC000041051116 361206854 /nfs/dbraw/zinc/20/68/54/361206854.db2.gz ONPVDBFAUUAOCE-UHFFFAOYSA-N 0 0 242.160 3.907 10 0 BHAERN CC(C)(C)CNc1cccc(Br)c1 ZINC000041051117 166592301 /nfs/dbraw/zinc/59/23/01/166592301.db2.gz MYVKIWGYCHTZJE-UHFFFAOYSA-N 0 0 242.160 3.907 10 0 BHAERN CC(C)(C)CNc1ccc(F)c(Cl)c1 ZINC000041051208 166591326 /nfs/dbraw/zinc/59/13/26/166591326.db2.gz DUIRBEIJGOKIDD-UHFFFAOYSA-N 0 0 215.699 3.937 10 0 BHAERN CCOc1cc(F)ccc1NCC(C)(C)C ZINC000041051331 322833935 /nfs/dbraw/zinc/83/39/35/322833935.db2.gz REVXJMRMPSNQEW-UHFFFAOYSA-N 0 0 225.307 3.682 10 0 BHAERN CCc1ccc([C@@H](C)Nc2ccc(C)nn2)cc1 ZINC000041074826 487689040 /nfs/dbraw/zinc/68/90/40/487689040.db2.gz BUUOCUXCKRSWHI-GFCCVEGCSA-N 0 0 241.338 3.521 10 0 BHAERN CCc1ccc([C@H](C)Nc2ccc(C)nn2)cc1 ZINC000041074827 487688976 /nfs/dbraw/zinc/68/89/76/487688976.db2.gz BUUOCUXCKRSWHI-LBPRGKRZSA-N 0 0 241.338 3.521 10 0 BHAERN Cc1ccc(N[C@@H](C)c2cccc(Cl)c2)nn1 ZINC000041074838 350413308 /nfs/dbraw/zinc/41/33/08/350413308.db2.gz ASVMDDGIHQMFNF-JTQLQIEISA-N 0 0 247.729 3.612 10 0 BHAERN Cc1ccc(N[C@H](C)c2cccc(Cl)c2)nn1 ZINC000041074839 350413379 /nfs/dbraw/zinc/41/33/79/350413379.db2.gz ASVMDDGIHQMFNF-SNVBAGLBSA-N 0 0 247.729 3.612 10 0 BHAERN CCc1ccc([C@@H](C)Nc2ccc(F)cn2)cc1 ZINC000041075051 322834868 /nfs/dbraw/zinc/83/48/68/322834868.db2.gz BQQKRSDMEMKACW-LLVKDONJSA-N 0 0 244.313 3.956 10 0 BHAERN CCc1ccc([C@H](C)Nc2ccc(F)cn2)cc1 ZINC000041075052 384607207 /nfs/dbraw/zinc/60/72/07/384607207.db2.gz BQQKRSDMEMKACW-NSHDSACASA-N 0 0 244.313 3.956 10 0 BHAERN Cc1ccc(-c2n[nH]c3ccccc32)cc1 ZINC000041144182 178331732 /nfs/dbraw/zinc/33/17/32/178331732.db2.gz OZYXNTJTACSVPK-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN Cc1cc(C(=O)c2ccccc2F)ccc1F ZINC000041144187 177826926 /nfs/dbraw/zinc/82/69/26/177826926.db2.gz GLYMOMWWAFTZDF-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN CSc1ccc(C(=O)c2ccccc2F)cc1 ZINC000041144587 388432225 /nfs/dbraw/zinc/43/22/25/388432225.db2.gz JXLZQIIGMAVNMA-UHFFFAOYSA-N 0 0 246.306 3.779 10 0 BHAERN Fc1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1 ZINC000041161281 358301745 /nfs/dbraw/zinc/30/17/45/358301745.db2.gz GLDKBAVSKHTFCR-UHFFFAOYSA-N 0 0 245.301 3.659 10 0 BHAERN CC(C)(C)c1ccccc1OC(F)F ZINC000041210228 188475793 /nfs/dbraw/zinc/47/57/93/188475793.db2.gz MMRCSHBBLSRJMI-UHFFFAOYSA-N 0 0 200.228 3.586 10 0 BHAERN CC(C)(C)c1cccc(OC(F)F)c1 ZINC000041210230 187601995 /nfs/dbraw/zinc/60/19/95/187601995.db2.gz RAEFGIYFYZKGNF-UHFFFAOYSA-N 0 0 200.228 3.586 10 0 BHAERN CC(C)(C)c1ccc(OC(F)F)cc1 ZINC000041210232 358251108 /nfs/dbraw/zinc/25/11/08/358251108.db2.gz RZHJOSZFQQMPIE-UHFFFAOYSA-N 0 0 200.228 3.586 10 0 BHAERN Clc1nc(-c2cccs2)cs1 ZINC000041210945 374120563 /nfs/dbraw/zinc/12/05/63/374120563.db2.gz CXQNDYQZBRATHT-UHFFFAOYSA-N 0 0 201.703 3.525 10 0 BHAERN C[C@@H]1CC(=O)c2cc(C(C)(C)C)ccc21 ZINC000041211254 176050855 /nfs/dbraw/zinc/05/08/55/176050855.db2.gz JMBFIUWDHYTUNQ-SECBINFHSA-N 0 0 202.297 3.674 10 0 BHAERN C[C@H]1CC(=O)c2cc(C(C)(C)C)ccc21 ZINC000041211256 177063078 /nfs/dbraw/zinc/06/30/78/177063078.db2.gz JMBFIUWDHYTUNQ-VIFPVBQESA-N 0 0 202.297 3.674 10 0 BHAERN Cc1cc(-c2cccs2)cc(N)c1C ZINC000041212099 643492414 /nfs/dbraw/zinc/49/24/14/643492414.db2.gz HIOLWLBPTGNETA-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccc(C)c(NCC2CCCC2)c1 ZINC000041212121 178484194 /nfs/dbraw/zinc/48/41/94/178484194.db2.gz BHTPEPADAPSDOQ-UHFFFAOYSA-N 0 0 203.329 3.906 10 0 BHAERN Cc1cccc(C)c1NCC1CCCC1 ZINC000041212127 179043159 /nfs/dbraw/zinc/04/31/59/179043159.db2.gz FPCALYZEAVZGPD-UHFFFAOYSA-N 0 0 203.329 3.906 10 0 BHAERN Cc1cccc(NCC2CCCC2)c1C ZINC000041212129 179143455 /nfs/dbraw/zinc/14/34/55/179143455.db2.gz GSRZPUINKWXVHT-UHFFFAOYSA-N 0 0 203.329 3.906 10 0 BHAERN Cc1ccccc1-c1cccnc1Cl ZINC000041212408 179237191 /nfs/dbraw/zinc/23/71/91/179237191.db2.gz RCYWBVFELIHHAD-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cccc(-c2cccnc2Cl)c1 ZINC000041212410 374120433 /nfs/dbraw/zinc/12/04/33/374120433.db2.gz BBNGKLWAPXVLIX-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccc(-c2ccc(Cl)nc2)cc1 ZINC000041212412 178323785 /nfs/dbraw/zinc/32/37/85/178323785.db2.gz HIYAUFQRWJKAQB-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccc(-c2cccnc2Cl)cc1 ZINC000041212414 178328092 /nfs/dbraw/zinc/32/80/92/178328092.db2.gz OHEVIMIHBXJERU-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccccc1CCCC(=O)C(C)C ZINC000041212932 179262428 /nfs/dbraw/zinc/26/24/28/179262428.db2.gz ORBFPHDTTGIEHJ-UHFFFAOYSA-N 0 0 204.313 3.543 10 0 BHAERN CCCC(=O)CCCc1ccccc1C ZINC000041212934 187630728 /nfs/dbraw/zinc/63/07/28/187630728.db2.gz NQUCYWBTPSOART-UHFFFAOYSA-N 0 0 204.313 3.687 10 0 BHAERN Cc1cccc(CCCC(=O)C(C)C)c1 ZINC000041212938 179054512 /nfs/dbraw/zinc/05/45/12/179054512.db2.gz FZGMJNJFLOCEMM-UHFFFAOYSA-N 0 0 204.313 3.543 10 0 BHAERN CCCC(=O)CCCc1cccc(C)c1 ZINC000041212940 188323221 /nfs/dbraw/zinc/32/32/21/188323221.db2.gz JSQUDRKQXPDWPQ-UHFFFAOYSA-N 0 0 204.313 3.687 10 0 BHAERN Cc1ccc(CCCC(=O)C(C)C)cc1 ZINC000041212942 178526894 /nfs/dbraw/zinc/52/68/94/178526894.db2.gz PBBSTAJWYVCRNY-UHFFFAOYSA-N 0 0 204.313 3.543 10 0 BHAERN CCC(=O)CCCc1ccc(CC)cc1 ZINC000041212948 168201440 /nfs/dbraw/zinc/20/14/40/168201440.db2.gz KKLQUCXULLYRKH-UHFFFAOYSA-N 0 0 204.313 3.551 10 0 BHAERN CCC(=O)CCc1c(C)cc(C)cc1C ZINC000041212989 168204635 /nfs/dbraw/zinc/20/46/35/168204635.db2.gz LHVOSOCHFPBMFM-UHFFFAOYSA-N 0 0 204.313 3.524 10 0 BHAERN CC(=O)CC(C)(C)c1ccc(C)cc1C ZINC000041213016 361463987 /nfs/dbraw/zinc/46/39/87/361463987.db2.gz DFGHJHNNHCFUCN-UHFFFAOYSA-N 0 0 204.313 3.560 10 0 BHAERN Cc1cccc([C@H](O)C2CCCC2)c1C ZINC000041213074 179201589 /nfs/dbraw/zinc/20/15/89/179201589.db2.gz BOJJDVHVHRRYOD-CQSZACIVSA-N 0 0 204.313 3.527 10 0 BHAERN Cc1cccc([C@@H](O)C2CCCC2)c1C ZINC000041213076 179187122 /nfs/dbraw/zinc/18/71/22/179187122.db2.gz BOJJDVHVHRRYOD-AWEZNQCLSA-N 0 0 204.313 3.527 10 0 BHAERN CCc1cccc(CC)c1NCC(C)C ZINC000041214272 188503876 /nfs/dbraw/zinc/50/38/76/188503876.db2.gz KKJLFOCMUJVZPF-UHFFFAOYSA-N 0 0 205.345 3.879 10 0 BHAERN Cc1cc(OC(F)F)cc(C)c1Cl ZINC000041215515 178207612 /nfs/dbraw/zinc/20/76/12/178207612.db2.gz RWYSVKPYVBONAR-UHFFFAOYSA-N 0 0 206.619 3.558 10 0 BHAERN Fc1ccccc1-c1ccc(Cl)nc1 ZINC000041216968 181009594 /nfs/dbraw/zinc/00/95/94/181009594.db2.gz IJPQDLYNNUXZBH-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1ccccc1-c1cccnc1Cl ZINC000041216970 181009434 /nfs/dbraw/zinc/00/94/34/181009434.db2.gz FPOLEZXMKPTHMW-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1cccc(-c2cccnc2Cl)c1 ZINC000041216974 180994337 /nfs/dbraw/zinc/99/43/37/180994337.db2.gz DBHDIDSLDXGSER-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1ccc(-c2cccnc2Cl)cc1 ZINC000041216976 361465096 /nfs/dbraw/zinc/46/50/96/361465096.db2.gz KHCWYVIYOIDIED-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Cc1cc(SC(F)F)ccc1Cl ZINC000041218156 178218108 /nfs/dbraw/zinc/21/81/08/178218108.db2.gz AHRWUVYAIUCFIL-UHFFFAOYSA-N 0 0 208.660 3.963 10 0 BHAERN CC(C)[C@H]1CC(=O)c2cc(Cl)ccc21 ZINC000041218174 187264454 /nfs/dbraw/zinc/26/44/54/187264454.db2.gz JHCMNGVIMZXFIE-SNVBAGLBSA-N 0 0 208.688 3.666 10 0 BHAERN CCC[C@@H]1CC(=O)c2cc(Cl)ccc21 ZINC000041218176 169415854 /nfs/dbraw/zinc/41/58/54/169415854.db2.gz MZGHDOZNXVSHIH-MRVPVSSYSA-N 0 0 208.688 3.810 10 0 BHAERN Cc1ccc(-c2c(F)cccc2Cl)[nH]1 ZINC000041219036 178317936 /nfs/dbraw/zinc/31/79/36/178317936.db2.gz RWVANPUPANUSHO-UHFFFAOYSA-N 0 0 209.651 3.783 10 0 BHAERN Cc1csc(-c2ccccc2Cl)n1 ZINC000041219146 374120590 /nfs/dbraw/zinc/12/05/90/374120590.db2.gz AXNNGFWIGKCKMI-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN Clc1ccccc1NCC1CCCC1 ZINC000041219161 180595901 /nfs/dbraw/zinc/59/59/01/180595901.db2.gz MGRNFYGCYPGRIC-UHFFFAOYSA-N 0 0 209.720 3.942 10 0 BHAERN Clc1cccc(NCC2CCCC2)c1 ZINC000041219163 374121022 /nfs/dbraw/zinc/12/10/22/374121022.db2.gz FQIYBAOJZCSUKU-UHFFFAOYSA-N 0 0 209.720 3.942 10 0 BHAERN CCC(=O)CCCc1ccccc1Cl ZINC000041225241 168200394 /nfs/dbraw/zinc/20/03/94/168200394.db2.gz RIJMHIQZKYPSGK-UHFFFAOYSA-N 0 0 210.704 3.642 10 0 BHAERN CCC(=O)CCCc1cccc(Cl)c1 ZINC000041225247 168201135 /nfs/dbraw/zinc/20/11/35/168201135.db2.gz HLEKGCATBXKDJC-UHFFFAOYSA-N 0 0 210.704 3.642 10 0 BHAERN CCC(=O)CCCc1ccc(Cl)cc1 ZINC000041225251 168201503 /nfs/dbraw/zinc/20/15/03/168201503.db2.gz YHUJVTCHQOQOMF-UHFFFAOYSA-N 0 0 210.704 3.642 10 0 BHAERN Cc1cccc(-c2ccc(C)c(N)c2)c1C ZINC000041225767 178326502 /nfs/dbraw/zinc/32/65/02/178326502.db2.gz GNVZDNJARFSCGO-UHFFFAOYSA-N 0 0 211.308 3.861 10 0 BHAERN FC(F)Oc1c(Cl)cccc1Cl ZINC000041226750 343417359 /nfs/dbraw/zinc/41/73/59/343417359.db2.gz LMYRCLZLHSUPAM-UHFFFAOYSA-N 0 0 213.010 3.595 10 0 BHAERN FC(F)Oc1cc(Cl)ccc1Cl ZINC000041226752 374120154 /nfs/dbraw/zinc/12/01/54/374120154.db2.gz QYAFKSVCAMTRLH-UHFFFAOYSA-N 0 0 213.010 3.595 10 0 BHAERN FC(F)Oc1ccc(Cl)cc1Cl ZINC000041226754 343417162 /nfs/dbraw/zinc/41/71/62/343417162.db2.gz QFXYAHBQJKDFGA-UHFFFAOYSA-N 0 0 213.010 3.595 10 0 BHAERN FC(F)Oc1cccc(Cl)c1Cl ZINC000041226756 374121132 /nfs/dbraw/zinc/12/11/32/374121132.db2.gz BSNOFJPCWWANKO-UHFFFAOYSA-N 0 0 213.010 3.595 10 0 BHAERN FC(F)Oc1ccc(Cl)c(Cl)c1 ZINC000041226760 180907332 /nfs/dbraw/zinc/90/73/32/180907332.db2.gz SXYMJAMOAXSJQC-UHFFFAOYSA-N 0 0 213.010 3.595 10 0 BHAERN Fc1cccc(Cl)c1-c1nccs1 ZINC000041227212 180999311 /nfs/dbraw/zinc/99/93/11/180999311.db2.gz KVIBVUBQFXJPKT-UHFFFAOYSA-N 0 0 213.664 3.603 10 0 BHAERN O=C1CCc2ccc(-c3cccs3)cc21 ZINC000041227643 182757475 /nfs/dbraw/zinc/75/74/75/182757475.db2.gz ZIZNYKJSDXOFJF-UHFFFAOYSA-N 0 0 214.289 3.544 10 0 BHAERN CCc1ccc(-c2cccc(F)c2)cc1N ZINC000041228223 636977344 /nfs/dbraw/zinc/97/73/44/636977344.db2.gz RUZVLWPBKOORMI-UHFFFAOYSA-N 0 0 215.271 3.637 10 0 BHAERN Cc1cc(-c2cccc(F)c2)cc(N)c1C ZINC000041228225 636976065 /nfs/dbraw/zinc/97/60/65/636976065.db2.gz ZBUZGLUJTXDHEU-UHFFFAOYSA-N 0 0 215.271 3.692 10 0 BHAERN CCc1ccc(-c2ccc(F)cc2)cc1N ZINC000041228227 636978574 /nfs/dbraw/zinc/97/85/74/636978574.db2.gz MFZXIGIAPGUXKQ-UHFFFAOYSA-N 0 0 215.271 3.637 10 0 BHAERN Cc1cc(-c2ccc(F)cc2)cc(N)c1C ZINC000041228229 636977372 /nfs/dbraw/zinc/97/73/72/636977372.db2.gz JIOVQVOPOTUVKG-UHFFFAOYSA-N 0 0 215.271 3.692 10 0 BHAERN CC(C)C(=O)c1ccccc1C(F)(F)F ZINC000041228754 361468028 /nfs/dbraw/zinc/46/80/28/361468028.db2.gz FWOHZDJXBIUNAK-UHFFFAOYSA-N 0 0 216.202 3.544 10 0 BHAERN CCCC(=O)c1ccccc1C(F)(F)F ZINC000041228756 168572965 /nfs/dbraw/zinc/57/29/65/168572965.db2.gz WNUZXEJZBRNZKG-UHFFFAOYSA-N 0 0 216.202 3.688 10 0 BHAERN CC(C)C[C@H](O)c1c(F)cccc1Cl ZINC000041229373 361464245 /nfs/dbraw/zinc/46/42/45/361464245.db2.gz FKVPDZYDODIHGO-JTQLQIEISA-N 0 0 216.683 3.559 10 0 BHAERN CC(C)C[C@@H](O)c1c(F)cccc1Cl ZINC000041229375 361464672 /nfs/dbraw/zinc/46/46/72/361464672.db2.gz FKVPDZYDODIHGO-SNVBAGLBSA-N 0 0 216.683 3.559 10 0 BHAERN Cc1ccccc1-c1ccc(Cl)c(N)c1 ZINC000041230781 179235766 /nfs/dbraw/zinc/23/57/66/179235766.db2.gz AESNPOVMPJCYLF-UHFFFAOYSA-N 0 0 217.699 3.898 10 0 BHAERN Cc1ccc(-c2ccc(Cl)c(N)c2)cc1 ZINC000041230785 178324242 /nfs/dbraw/zinc/32/42/42/178324242.db2.gz VPDNYZDZIYTBCI-UHFFFAOYSA-N 0 0 217.699 3.898 10 0 BHAERN Cc1ccc(-c2cccc(Cl)c2)cc1N ZINC000041230787 178326373 /nfs/dbraw/zinc/32/63/73/178326373.db2.gz JXBANRWYIZFOEN-UHFFFAOYSA-N 0 0 217.699 3.898 10 0 BHAERN CCc1ccc(CCCC(=O)C(C)C)cc1 ZINC000041231715 171791335 /nfs/dbraw/zinc/79/13/35/171791335.db2.gz BQWXUUZRKRNXNW-UHFFFAOYSA-N 0 0 218.340 3.797 10 0 BHAERN CC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000041231723 188503643 /nfs/dbraw/zinc/50/36/43/188503643.db2.gz LWTBKGJYAARNPW-UHFFFAOYSA-N 0 0 218.340 3.896 10 0 BHAERN Cc1ccccc1[C@@H](CO)C1CCCCC1 ZINC000041231725 188475498 /nfs/dbraw/zinc/47/54/98/188475498.db2.gz ZUXITSQGDPARJK-HNNXBMFYSA-N 0 0 218.340 3.651 10 0 BHAERN Cc1ccccc1[C@H](CO)C1CCCCC1 ZINC000041231727 179342138 /nfs/dbraw/zinc/34/21/38/179342138.db2.gz ZUXITSQGDPARJK-OAHLLOKOSA-N 0 0 218.340 3.651 10 0 BHAERN Cc1cccc([C@@H](CO)C2CCCCC2)c1 ZINC000041231729 179184326 /nfs/dbraw/zinc/18/43/26/179184326.db2.gz KNWSVEZIDLXPOP-HNNXBMFYSA-N 0 0 218.340 3.651 10 0 BHAERN Cc1cccc([C@H](CO)C2CCCCC2)c1 ZINC000041231731 179199854 /nfs/dbraw/zinc/19/98/54/179199854.db2.gz KNWSVEZIDLXPOP-OAHLLOKOSA-N 0 0 218.340 3.651 10 0 BHAERN Cc1ccc([C@@H](CO)C2CCCCC2)cc1 ZINC000041231733 178856506 /nfs/dbraw/zinc/85/65/06/178856506.db2.gz BDBXFUFYWFINJM-HNNXBMFYSA-N 0 0 218.340 3.651 10 0 BHAERN CCC(=O)[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000041231745 168251550 /nfs/dbraw/zinc/25/15/50/168251550.db2.gz YQMOBASERSUXPA-LBPRGKRZSA-N 0 0 218.340 3.968 10 0 BHAERN CCC(=O)[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000041231747 168252487 /nfs/dbraw/zinc/25/24/87/168252487.db2.gz YQMOBASERSUXPA-GFCCVEGCSA-N 0 0 218.340 3.968 10 0 BHAERN CC[C@H](Cc1c(C)cc(C)cc1C)C(C)=O ZINC000041231767 171469102 /nfs/dbraw/zinc/46/91/02/171469102.db2.gz SPPFVGMQSWMYHC-CQSZACIVSA-N 0 0 218.340 3.770 10 0 BHAERN CCC(=O)[C@@H](C)Cc1c(C)cc(C)cc1C ZINC000041231769 168251358 /nfs/dbraw/zinc/25/13/58/168251358.db2.gz HXXXWYZVQHWSDJ-ZDUSSCGKSA-N 0 0 218.340 3.770 10 0 BHAERN CCC(=O)[C@H](C)Cc1c(C)cc(C)cc1C ZINC000041231771 168252600 /nfs/dbraw/zinc/25/26/00/168252600.db2.gz HXXXWYZVQHWSDJ-CYBMUJFWSA-N 0 0 218.340 3.770 10 0 BHAERN CCCCOc1ccc(C(=O)C(C)C)cc1 ZINC000041234002 168916923 /nfs/dbraw/zinc/91/69/23/168916923.db2.gz DCPLVHSCBIINMG-UHFFFAOYSA-N 0 0 220.312 3.704 10 0 BHAERN CCCOc1ccc(C(=O)CC(C)C)cc1 ZINC000041234003 169317250 /nfs/dbraw/zinc/31/72/50/169317250.db2.gz OITROEGPTKLJOD-UHFFFAOYSA-N 0 0 220.312 3.704 10 0 BHAERN CCCOc1ccc(C(=O)C(C)(C)C)cc1 ZINC000041234004 169316985 /nfs/dbraw/zinc/31/69/85/169316985.db2.gz FZQSBYLVRAOEOU-UHFFFAOYSA-N 0 0 220.312 3.704 10 0 BHAERN C[C@H](O)[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000041234353 177002878 /nfs/dbraw/zinc/00/28/78/177002878.db2.gz SNCACVAERORLFS-RYUDHWBXSA-N 0 0 220.356 3.544 10 0 BHAERN C[C@H](Cc1ccc(C(C)(C)C)cc1)[C@H](C)O ZINC000041234354 177010362 /nfs/dbraw/zinc/01/03/62/177010362.db2.gz SNCACVAERORLFS-NEPJUHHUSA-N 0 0 220.356 3.544 10 0 BHAERN Nc1cc(-c2ccccc2F)ccc1Cl ZINC000041239145 181675044 /nfs/dbraw/zinc/67/50/44/181675044.db2.gz JRXAINQXPCNEDN-UHFFFAOYSA-N 0 0 221.662 3.728 10 0 BHAERN Nc1cc(-c2cccc(F)c2)ccc1Cl ZINC000041239148 188323112 /nfs/dbraw/zinc/32/31/12/188323112.db2.gz AZIUFFUTPBCCHI-UHFFFAOYSA-N 0 0 221.662 3.728 10 0 BHAERN Cc1ccccc1-c1ccc2c(c1)C(=O)CC2 ZINC000041240342 179236645 /nfs/dbraw/zinc/23/66/45/179236645.db2.gz CSOVWTYGWJTKLW-UHFFFAOYSA-N 0 0 222.287 3.791 10 0 BHAERN Cc1ccc(-c2ccc3c(c2)C(=O)CC3)cc1 ZINC000041240348 178325095 /nfs/dbraw/zinc/32/50/95/178325095.db2.gz VLKAYDIJRRSTQM-UHFFFAOYSA-N 0 0 222.287 3.791 10 0 BHAERN O=C(CCCc1ccc(Cl)cc1)C1CC1 ZINC000041241774 181912912 /nfs/dbraw/zinc/91/29/12/181912912.db2.gz UTARZVKCNJNWGV-UHFFFAOYSA-N 0 0 222.715 3.642 10 0 BHAERN CCc1ccc(-c2ccc3c(c2)CCN3)cc1 ZINC000041243229 171778611 /nfs/dbraw/zinc/77/86/11/171778611.db2.gz CHIRNISATKILIQ-UHFFFAOYSA-N 0 0 223.319 3.884 10 0 BHAERN Cc1ccc(-c2ccc3c(c2)CCN3)c(C)c1 ZINC000041243238 178325950 /nfs/dbraw/zinc/32/59/50/178325950.db2.gz MOSJJYCAMCEDJG-UHFFFAOYSA-N 0 0 223.319 3.938 10 0 BHAERN Cc1cccc(-c2ccc3c(c2)CCN3)c1C ZINC000041243241 178994155 /nfs/dbraw/zinc/99/41/55/178994155.db2.gz JITVENTZBXZOTR-UHFFFAOYSA-N 0 0 223.319 3.938 10 0 BHAERN COc1ccc(SC(F)F)cc1Cl ZINC000041245002 187945830 /nfs/dbraw/zinc/94/58/30/187945830.db2.gz XZFGMGREXSZTFF-UHFFFAOYSA-N 0 0 224.659 3.663 10 0 BHAERN COc1ccc(Cl)cc1SC(F)F ZINC000041245005 175121726 /nfs/dbraw/zinc/12/17/26/175121726.db2.gz DXSMPFUMSKFQQS-UHFFFAOYSA-N 0 0 224.659 3.663 10 0 BHAERN CC(C)C(=O)CCCc1ccccc1Cl ZINC000041245147 188322639 /nfs/dbraw/zinc/32/26/39/188322639.db2.gz XSWROISCEUSJPC-UHFFFAOYSA-N 0 0 224.731 3.888 10 0 BHAERN O=C1CCc2ccc(-c3cccc(F)c3)cc21 ZINC000041246968 358264702 /nfs/dbraw/zinc/26/47/02/358264702.db2.gz QUUCTPWYBRMQLJ-UHFFFAOYSA-N 0 0 226.250 3.622 10 0 BHAERN CC(C)(C)c1ccc(-c2cncc(N)c2)cc1 ZINC000041247349 188118905 /nfs/dbraw/zinc/11/89/05/188118905.db2.gz PDJKKBKBGOLIMU-UHFFFAOYSA-N 0 0 226.323 3.628 10 0 BHAERN CC(C)(C)c1ccc(-c2ccc(N)cn2)cc1 ZINC000041247352 188118920 /nfs/dbraw/zinc/11/89/20/188118920.db2.gz YYWSVTSMIZAJNY-UHFFFAOYSA-N 0 0 226.323 3.628 10 0 BHAERN Cc1cc([C@@H]2Cc3ccccc3N2)ccc1F ZINC000041248229 178242920 /nfs/dbraw/zinc/24/29/20/178242920.db2.gz OJXGSGHAMFPGAK-HNNXBMFYSA-N 0 0 227.282 3.843 10 0 BHAERN Cc1cc([C@H]2Cc3ccccc3N2)ccc1F ZINC000041248231 178268452 /nfs/dbraw/zinc/26/84/52/178268452.db2.gz OJXGSGHAMFPGAK-OAHLLOKOSA-N 0 0 227.282 3.843 10 0 BHAERN COc1ccc(-c2cc(C)ccc2C)cc1N ZINC000041248407 175031105 /nfs/dbraw/zinc/03/11/05/175031105.db2.gz LFGUSTPKDLWGAY-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1ccc(-c2cc(C)cc(C)c2)cc1N ZINC000041248410 175030812 /nfs/dbraw/zinc/03/08/12/175030812.db2.gz TVCXHQSRBVOHLN-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1ccc(-c2ccc(C)c(C)c2)cc1N ZINC000041248413 175033077 /nfs/dbraw/zinc/03/30/77/175033077.db2.gz TUCMDKMDPUEULZ-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1ccc(-c2ccc(C)cc2C)cc1N ZINC000041248416 175032901 /nfs/dbraw/zinc/03/29/01/175032901.db2.gz SOEXSCMGXNHXMO-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1ccc(-c2cccc(C)c2C)cc1N ZINC000041248419 175034101 /nfs/dbraw/zinc/03/41/01/175034101.db2.gz DXSRRHGOOSARKO-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN CC(C)CC(=O)c1ccc(OC(F)F)cc1 ZINC000041249620 350783958 /nfs/dbraw/zinc/78/39/58/350783958.db2.gz GNXFFCIOEHELDT-UHFFFAOYSA-N 0 0 228.238 3.517 10 0 BHAERN CC(C)(C)C(=O)c1ccc(OC(F)F)cc1 ZINC000041249623 374125446 /nfs/dbraw/zinc/12/54/46/374125446.db2.gz XAQCMNLDIXTTFJ-UHFFFAOYSA-N 0 0 228.238 3.517 10 0 BHAERN Cc1ccc(C)c(COc2ccc(O)cc2)c1 ZINC000041249753 178476292 /nfs/dbraw/zinc/47/62/92/178476292.db2.gz XYHOILPAVLMHCQ-UHFFFAOYSA-N 0 0 228.291 3.588 10 0 BHAERN Cc1ccc(C)c(COc2cccc(O)c2)c1 ZINC000041249756 178476405 /nfs/dbraw/zinc/47/64/05/178476405.db2.gz XJXZBPILHCZHGH-UHFFFAOYSA-N 0 0 228.291 3.588 10 0 BHAERN CCC(=O)CCCc1c(F)cccc1Cl ZINC000041250415 168200310 /nfs/dbraw/zinc/20/03/10/168200310.db2.gz WXCIZKPAYFVLGO-UHFFFAOYSA-N 0 0 228.694 3.781 10 0 BHAERN CCC(=O)[C@@H](C)Cc1c(F)cccc1Cl ZINC000041250428 168251230 /nfs/dbraw/zinc/25/12/30/168251230.db2.gz IZXRBBYFUHCTTE-QMMMGPOBSA-N 0 0 228.694 3.637 10 0 BHAERN CCC(=O)[C@H](C)Cc1c(F)cccc1Cl ZINC000041250431 168252431 /nfs/dbraw/zinc/25/24/31/168252431.db2.gz IZXRBBYFUHCTTE-MRVPVSSYSA-N 0 0 228.694 3.637 10 0 BHAERN S=c1ccc(-c2ccc(Cl)s2)n[nH]1 ZINC000041250683 183314207 /nfs/dbraw/zinc/31/42/07/183314207.db2.gz BVEAPMAFIKRKBF-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN Cc1cccc2c1NC(=O)[C@H]2C1CCCCC1 ZINC000041251681 179219830 /nfs/dbraw/zinc/21/98/30/179219830.db2.gz JSPKRCCJVACLPQ-ZDUSSCGKSA-N 0 0 229.323 3.611 10 0 BHAERN CC(C)CC(=O)c1ccccc1C(F)(F)F ZINC000041252195 374125388 /nfs/dbraw/zinc/12/53/88/374125388.db2.gz ZWYXPSQZOLARBI-UHFFFAOYSA-N 0 0 230.229 3.934 10 0 BHAERN CCCCc1noc(N)c1-c1cccc(C)c1 ZINC000041256226 169030308 /nfs/dbraw/zinc/03/03/08/169030308.db2.gz LNBMYJPXQAZNNS-UHFFFAOYSA-N 0 0 230.311 3.575 10 0 BHAERN CCCCc1noc(N)c1-c1ccc(C)cc1 ZINC000041256230 169030582 /nfs/dbraw/zinc/03/05/82/169030582.db2.gz NLXOLDCEGQWSEW-UHFFFAOYSA-N 0 0 230.311 3.575 10 0 BHAERN O=C(CCCc1cccs1)c1ccccc1 ZINC000041256475 181913923 /nfs/dbraw/zinc/91/39/23/181913923.db2.gz FPXVYZDKQIBWGG-UHFFFAOYSA-N 0 0 230.332 3.954 10 0 BHAERN Cc1cc(C)c(-c2cc[nH]c(=S)n2)c(C)c1 ZINC000041256493 177834601 /nfs/dbraw/zinc/83/46/01/177834601.db2.gz ROBXFJZRPDNQMD-UHFFFAOYSA-N 0 0 230.336 3.731 10 0 BHAERN CC(C)(C)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000041256507 188118949 /nfs/dbraw/zinc/11/89/49/188118949.db2.gz OLPQIYAQVUQDBP-ZDUSSCGKSA-N 0 0 230.351 3.896 10 0 BHAERN OCc1ccc(-c2ccc(Cl)s2)s1 ZINC000041256831 183161832 /nfs/dbraw/zinc/16/18/32/183161832.db2.gz DISOUWLSIYQPLV-UHFFFAOYSA-N 0 0 230.741 3.622 10 0 BHAERN CCc1ccc(-c2ncc(C(C)=O)s2)cc1 ZINC000041257616 171779925 /nfs/dbraw/zinc/77/99/25/171779925.db2.gz PPTUMQJHXALAGH-UHFFFAOYSA-N 0 0 231.320 3.575 10 0 BHAERN CC(C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000041258546 187428955 /nfs/dbraw/zinc/42/89/55/187428955.db2.gz OPBCFBBCFLRPIF-LLVKDONJSA-N 0 0 232.245 3.785 10 0 BHAERN CC(C)(C)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000041258568 384184712 /nfs/dbraw/zinc/18/47/12/384184712.db2.gz CEARQOWSYUBEOP-JTQLQIEISA-N 0 0 232.245 3.785 10 0 BHAERN C[C@@H](O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000041260183 175770703 /nfs/dbraw/zinc/77/07/03/175770703.db2.gz NUEKUMCUAPGPPF-JGVFFNPUSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@@H](O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000041260185 374127542 /nfs/dbraw/zinc/12/75/42/374127542.db2.gz NUEKUMCUAPGPPF-HTQZYQBOSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@H](O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000041260187 177003023 /nfs/dbraw/zinc/00/30/23/177003023.db2.gz NUEKUMCUAPGPPF-YUMQZZPRSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@H](Cc1ccc(Cl)cc1Cl)[C@H](C)O ZINC000041260189 177010186 /nfs/dbraw/zinc/01/01/86/177010186.db2.gz NUEKUMCUAPGPPF-SFYZADRCSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@@H](O)[C@@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000041260195 374126838 /nfs/dbraw/zinc/12/68/38/374126838.db2.gz DNQUTJUMOPOJKR-JGVFFNPUSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@@H](O)[C@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000041260197 374127071 /nfs/dbraw/zinc/12/70/71/374127071.db2.gz DNQUTJUMOPOJKR-HTQZYQBOSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@H](O)[C@@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000041260199 177003190 /nfs/dbraw/zinc/00/31/90/177003190.db2.gz DNQUTJUMOPOJKR-YUMQZZPRSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@H](Cc1ccc(Cl)c(Cl)c1)[C@H](C)O ZINC000041260201 177010355 /nfs/dbraw/zinc/01/03/55/177010355.db2.gz DNQUTJUMOPOJKR-SFYZADRCSA-N 0 0 233.138 3.553 10 0 BHAERN CC(C)[C@H](CO)c1ccc(Cl)c(Cl)c1 ZINC000041260209 188293186 /nfs/dbraw/zinc/29/31/86/188293186.db2.gz WIVRQYDNCAALNE-VIFPVBQESA-N 0 0 233.138 3.725 10 0 BHAERN CC[C@@H](C)c1ccc(-c2csc(=O)[nH]2)cc1 ZINC000041261231 170803870 /nfs/dbraw/zinc/80/38/70/170803870.db2.gz SMEYUPQQQDKWHN-SECBINFHSA-N 0 0 233.336 3.617 10 0 BHAERN CC[C@H](C)c1ccc(-c2csc(=O)[nH]2)cc1 ZINC000041261233 171409148 /nfs/dbraw/zinc/40/91/48/171409148.db2.gz SMEYUPQQQDKWHN-VIFPVBQESA-N 0 0 233.336 3.617 10 0 BHAERN COc1ccc(-c2ccccc2Cl)cc1N ZINC000041262132 175035306 /nfs/dbraw/zinc/03/53/06/175035306.db2.gz USCGOQQKDKRTSF-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN COc1ccc(-c2cccc(Cl)c2)cc1N ZINC000041262134 175034350 /nfs/dbraw/zinc/03/43/50/175034350.db2.gz TWXGHDOOMTUOQW-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN COc1ccc(-c2ccc(Cl)cc2)cc1N ZINC000041262136 175033213 /nfs/dbraw/zinc/03/32/13/175033213.db2.gz PAABHNAKHOQAKU-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN COc1ccc(CCCCC(=O)C(C)C)cc1 ZINC000041263280 188475785 /nfs/dbraw/zinc/47/57/85/188475785.db2.gz KOUIXMSNZINPOO-UHFFFAOYSA-N 0 0 234.339 3.633 10 0 BHAERN Cc1ccc(-c2cccc(Br)c2)[nH]1 ZINC000041268685 178326419 /nfs/dbraw/zinc/32/64/19/178326419.db2.gz GZTMULWZDRURKL-UHFFFAOYSA-N 0 0 236.112 3.753 10 0 BHAERN Cc1ccc(-c2ccc(Br)cc2)[nH]1 ZINC000041268689 178322609 /nfs/dbraw/zinc/32/26/09/178322609.db2.gz UMNFRHPUHAJIFZ-UHFFFAOYSA-N 0 0 236.112 3.753 10 0 BHAERN O[C@H](c1cccc(Cl)c1)c1ccccc1F ZINC000041272055 183229662 /nfs/dbraw/zinc/22/96/62/183229662.db2.gz HTKRILRBLVKFDX-CYBMUJFWSA-N 0 0 236.673 3.561 10 0 BHAERN O[C@@H](c1cccc(Cl)c1)c1ccccc1F ZINC000041272058 183185471 /nfs/dbraw/zinc/18/54/71/183185471.db2.gz HTKRILRBLVKFDX-ZDUSSCGKSA-N 0 0 236.673 3.561 10 0 BHAERN O[C@@H](c1ccccc1F)c1ccccc1Cl ZINC000041272061 183186211 /nfs/dbraw/zinc/18/62/11/183186211.db2.gz MKLRJUQPRZEEKB-CYBMUJFWSA-N 0 0 236.673 3.561 10 0 BHAERN O[C@H](c1ccccc1F)c1ccccc1Cl ZINC000041272064 183229771 /nfs/dbraw/zinc/22/97/71/183229771.db2.gz MKLRJUQPRZEEKB-ZDUSSCGKSA-N 0 0 236.673 3.561 10 0 BHAERN COc1ccccc1Cn1ccc2ccccc21 ZINC000041278625 175334515 /nfs/dbraw/zinc/33/45/15/175334515.db2.gz MSDBVTFIYMUVLS-UHFFFAOYSA-N 0 0 237.302 3.698 10 0 BHAERN COc1cccc(Cn2ccc3ccccc32)c1 ZINC000041278627 175273744 /nfs/dbraw/zinc/27/37/44/175273744.db2.gz HOJYYEVBDCCPFC-UHFFFAOYSA-N 0 0 237.302 3.698 10 0 BHAERN OC[C@H](c1ccccc1Cl)C1CCCCC1 ZINC000041281127 183144734 /nfs/dbraw/zinc/14/47/34/183144734.db2.gz PRRCQONBVJERLJ-ZDUSSCGKSA-N 0 0 238.758 3.996 10 0 BHAERN OC[C@@H](c1ccccc1Cl)C1CCCCC1 ZINC000041281130 183114681 /nfs/dbraw/zinc/11/46/81/183114681.db2.gz PRRCQONBVJERLJ-CYBMUJFWSA-N 0 0 238.758 3.996 10 0 BHAERN OC[C@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000041281133 183144893 /nfs/dbraw/zinc/14/48/93/183144893.db2.gz VFGIMSPOMJFLRN-AWEZNQCLSA-N 0 0 238.758 3.996 10 0 BHAERN OC[C@@H](c1cccc(Cl)c1)C1CCCCC1 ZINC000041281136 183114236 /nfs/dbraw/zinc/11/42/36/183114236.db2.gz VFGIMSPOMJFLRN-CQSZACIVSA-N 0 0 238.758 3.996 10 0 BHAERN OC[C@H](c1ccc(Cl)cc1)C1CCCCC1 ZINC000041281139 183144968 /nfs/dbraw/zinc/14/49/68/183144968.db2.gz JIGBAMKVUURPRA-AWEZNQCLSA-N 0 0 238.758 3.996 10 0 BHAERN OC[C@@H](c1ccc(Cl)cc1)C1CCCCC1 ZINC000041281142 183114247 /nfs/dbraw/zinc/11/42/47/183114247.db2.gz JIGBAMKVUURPRA-CQSZACIVSA-N 0 0 238.758 3.996 10 0 BHAERN Nc1cc(-c2ccc(F)c(F)c2)ccc1Cl ZINC000041282660 181674340 /nfs/dbraw/zinc/67/43/40/181674340.db2.gz WXHVTYYYGZHPTJ-UHFFFAOYSA-N 0 0 239.652 3.867 10 0 BHAERN COc1ccc(C)cc1-c1csc(Cl)n1 ZINC000041282781 175072200 /nfs/dbraw/zinc/07/22/00/175072200.db2.gz STKZTIDYSMFJOV-UHFFFAOYSA-N 0 0 239.727 3.781 10 0 BHAERN CCOc1ccc(-c2csc(Cl)n2)cc1 ZINC000041282784 170531922 /nfs/dbraw/zinc/53/19/22/170531922.db2.gz FINUPKWIKOHRQO-UHFFFAOYSA-N 0 0 239.727 3.862 10 0 BHAERN COc1ccc(NCC2CCCC2)cc1Cl ZINC000041282816 175150843 /nfs/dbraw/zinc/15/08/43/175150843.db2.gz QXHJAOFZAIOFCV-UHFFFAOYSA-N 0 0 239.746 3.951 10 0 BHAERN COc1ccc(Cl)cc1NCC1CCCC1 ZINC000041282818 187265174 /nfs/dbraw/zinc/26/51/74/187265174.db2.gz VUFSIMNODMHMBH-UHFFFAOYSA-N 0 0 239.746 3.951 10 0 BHAERN Brc1ccc(-c2cccs2)cn1 ZINC000041283165 166096161 /nfs/dbraw/zinc/09/61/61/166096161.db2.gz SJOYZBHPUGTHKU-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN O=C(CCCc1c(F)cccc1Cl)C1CC1 ZINC000041284053 181912883 /nfs/dbraw/zinc/91/28/83/181912883.db2.gz XRXYTBXOIMFQIR-UHFFFAOYSA-N 0 0 240.705 3.781 10 0 BHAERN CCC(=O)[C@@H](C)Cc1cc(Cl)ccc1OC ZINC000041284134 168251172 /nfs/dbraw/zinc/25/11/72/168251172.db2.gz SKCSTFOBWKZWCR-VIFPVBQESA-N 0 0 240.730 3.506 10 0 BHAERN CCC(=O)[C@H](C)Cc1cc(Cl)ccc1OC ZINC000041284137 168251957 /nfs/dbraw/zinc/25/19/57/168251957.db2.gz SKCSTFOBWKZWCR-SECBINFHSA-N 0 0 240.730 3.506 10 0 BHAERN COc1ccc(Cl)cc1C(C)(C)CC(C)=O ZINC000041284202 175120401 /nfs/dbraw/zinc/12/04/01/175120401.db2.gz UXXNMMUZVKZIEZ-UHFFFAOYSA-N 0 0 240.730 3.605 10 0 BHAERN CC(=O)CCCOc1cc(C)c(Cl)c(C)c1 ZINC000041284277 187977711 /nfs/dbraw/zinc/97/77/11/187977711.db2.gz UGIJQVMQPINHSW-UHFFFAOYSA-N 0 0 240.730 3.705 10 0 BHAERN C[C@H](O)c1cc(Cl)ccc1OC1CCCC1 ZINC000041284280 177016625 /nfs/dbraw/zinc/01/66/25/177016625.db2.gz DPMXUJGPKBIDPV-VIFPVBQESA-N 0 0 240.730 3.715 10 0 BHAERN C[C@@H](O)c1cc(Cl)ccc1OC1CCCC1 ZINC000041284282 175998758 /nfs/dbraw/zinc/99/87/58/175998758.db2.gz DPMXUJGPKBIDPV-SECBINFHSA-N 0 0 240.730 3.715 10 0 BHAERN C[C@H](O)c1ccc(OC2CCCC2)c(Cl)c1 ZINC000041284292 177016995 /nfs/dbraw/zinc/01/69/95/177016995.db2.gz HQGDJFCHQNOOHN-VIFPVBQESA-N 0 0 240.730 3.715 10 0 BHAERN C[C@@H](O)c1ccc(OC2CCCC2)c(Cl)c1 ZINC000041284295 175999488 /nfs/dbraw/zinc/99/94/88/175999488.db2.gz HQGDJFCHQNOOHN-SECBINFHSA-N 0 0 240.730 3.715 10 0 BHAERN Cc1ccccc1NCCOc1ccccc1C ZINC000041285267 179305194 /nfs/dbraw/zinc/30/51/94/179305194.db2.gz PVLQYEXTWRASQE-UHFFFAOYSA-N 0 0 241.334 3.794 10 0 BHAERN Cc1cccc([C@@H](C)O)c1OCc1ccccc1 ZINC000041286630 179183650 /nfs/dbraw/zinc/18/36/50/179183650.db2.gz SCKWSYIQWBMHOT-CYBMUJFWSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1cccc([C@H](C)O)c1OCc1ccccc1 ZINC000041286633 179197956 /nfs/dbraw/zinc/19/79/56/179197956.db2.gz SCKWSYIQWBMHOT-ZDUSSCGKSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1cc([C@@H](C)O)ccc1OCc1ccccc1 ZINC000041286636 178234750 /nfs/dbraw/zinc/23/47/50/178234750.db2.gz KTDZLLGLQPSJPD-CYBMUJFWSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1cc([C@H](C)O)ccc1OCc1ccccc1 ZINC000041286639 178259639 /nfs/dbraw/zinc/25/96/39/178259639.db2.gz KTDZLLGLQPSJPD-ZDUSSCGKSA-N 0 0 242.318 3.627 10 0 BHAERN Cc1cc(C)c(COc2cccc(O)c2)c(C)c1 ZINC000041286645 177863375 /nfs/dbraw/zinc/86/33/75/177863375.db2.gz JDUCPBVKSOQCBL-UHFFFAOYSA-N 0 0 242.318 3.896 10 0 BHAERN Cc1noc(N)c1-c1ccc(Cl)c(Cl)c1 ZINC000041287869 180492051 /nfs/dbraw/zinc/49/20/51/180492051.db2.gz SBWFHIYYUVLAAV-UHFFFAOYSA-N 0 0 243.093 3.539 10 0 BHAERN O=C1CCC[C@H]1Cc1ccc(Cl)cc1Cl ZINC000041287893 343418209 /nfs/dbraw/zinc/41/82/09/343418209.db2.gz QTQJSGDLEKKNHC-VIFPVBQESA-N 0 0 243.133 3.905 10 0 BHAERN O=C1CCC[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000041287896 374129714 /nfs/dbraw/zinc/12/97/14/374129714.db2.gz QTQJSGDLEKKNHC-SECBINFHSA-N 0 0 243.133 3.905 10 0 BHAERN CCCOc1c(C)cc(C)cc1Br ZINC000041288111 169312727 /nfs/dbraw/zinc/31/27/27/169312727.db2.gz NDGQCTYHRYARGR-UHFFFAOYSA-N 0 0 243.144 3.855 10 0 BHAERN Cc1cc(Br)c(OC(C)C)cc1C ZINC000041288114 323411862 /nfs/dbraw/zinc/41/18/62/323411862.db2.gz SMMJDTKBJKLAFI-UHFFFAOYSA-N 0 0 243.144 3.853 10 0 BHAERN CCCOc1cc(C)c(C)cc1Br ZINC000041288117 169314685 /nfs/dbraw/zinc/31/46/85/169314685.db2.gz HLJFADNZJGCGAB-UHFFFAOYSA-N 0 0 243.144 3.855 10 0 BHAERN COc1ccc(-c2csc(Cl)n2)cc1F ZINC000041289424 175038010 /nfs/dbraw/zinc/03/80/10/175038010.db2.gz SYUVLANEGSBPAQ-UHFFFAOYSA-N 0 0 243.690 3.611 10 0 BHAERN O=C1CCCCN1c1ccc(Cl)c(Cl)c1 ZINC000041289799 323939520 /nfs/dbraw/zinc/93/95/20/323939520.db2.gz QPJOFJUJAGCJMT-UHFFFAOYSA-N 0 0 244.121 3.510 10 0 BHAERN O[C@@H](c1ccccc1C(F)(F)F)C1CCCC1 ZINC000041290121 183185381 /nfs/dbraw/zinc/18/53/81/183185381.db2.gz CRXMNDGGDBZAIQ-GFCCVEGCSA-N 0 0 244.256 3.929 10 0 BHAERN O[C@H](c1ccccc1C(F)(F)F)C1CCCC1 ZINC000041290124 183229374 /nfs/dbraw/zinc/22/93/74/183229374.db2.gz CRXMNDGGDBZAIQ-LBPRGKRZSA-N 0 0 244.256 3.929 10 0 BHAERN CCCCOc1ccc(C(=O)c2ccco2)cc1 ZINC000041290242 168917192 /nfs/dbraw/zinc/91/71/92/168917192.db2.gz BGZGCCNYJFGUSL-UHFFFAOYSA-N 0 0 244.290 3.690 10 0 BHAERN Fc1ccc(-c2ccc3c(c2)CCCN3)cc1F ZINC000041292170 180957439 /nfs/dbraw/zinc/95/74/39/180957439.db2.gz LSJUKXLHKUXHEW-UHFFFAOYSA-N 0 0 245.272 3.990 10 0 BHAERN Cc1ccccc1OCCNc1ccc(F)cc1 ZINC000041295934 179311941 /nfs/dbraw/zinc/31/19/41/179311941.db2.gz KTYXSUSOBYJGAU-UHFFFAOYSA-N 0 0 245.297 3.625 10 0 BHAERN Brc1ccc(-c2nccs2)s1 ZINC000041296849 166097290 /nfs/dbraw/zinc/09/72/90/166097290.db2.gz PSAPJWWJFVLJCW-UHFFFAOYSA-N 0 0 246.154 3.634 10 0 BHAERN CC(C)=CC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000041298283 710796688 /nfs/dbraw/zinc/79/66/88/710796688.db2.gz VUNCWEHXXIQVDT-CYBMUJFWSA-N 0 0 245.366 3.953 10 0 BHAERN CC(C)=CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000041298285 710797117 /nfs/dbraw/zinc/79/71/17/710797117.db2.gz VUNCWEHXXIQVDT-ZDUSSCGKSA-N 0 0 245.366 3.953 10 0 BHAERN Cc1ccccc1C[C@H](O)c1ccccc1Cl ZINC000041298594 179292070 /nfs/dbraw/zinc/29/20/70/179292070.db2.gz POGGLPMNFFZOQG-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccccc1C[C@@H](O)c1ccccc1Cl ZINC000041298596 179289516 /nfs/dbraw/zinc/28/95/16/179289516.db2.gz POGGLPMNFFZOQG-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1cccc(C[C@H](O)c2ccccc2Cl)c1 ZINC000041298597 179105855 /nfs/dbraw/zinc/10/58/55/179105855.db2.gz GPQHQXOEFCMZBZ-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1cccc(C[C@@H](O)c2ccccc2Cl)c1 ZINC000041298599 179104128 /nfs/dbraw/zinc/10/41/28/179104128.db2.gz GPQHQXOEFCMZBZ-OAHLLOKOSA-N 0 0 246.737 3.925 10 0 BHAERN Cc1ccc(C[C@H](O)c2ccccc2Cl)cc1 ZINC000041298600 178652377 /nfs/dbraw/zinc/65/23/77/178652377.db2.gz NGSAZANSYAKRAN-HNNXBMFYSA-N 0 0 246.737 3.925 10 0 BHAERN CC(=O)CCCOc1cccc(Cl)c1Cl ZINC000041298673 187977696 /nfs/dbraw/zinc/97/76/96/187977696.db2.gz WULBJJATEMEHDS-UHFFFAOYSA-N 0 0 247.121 3.741 10 0 BHAERN CC(=O)CCCOc1ccc(Cl)c(Cl)c1 ZINC000041298676 188322649 /nfs/dbraw/zinc/32/26/49/188322649.db2.gz PYJFCCOKFRVENF-UHFFFAOYSA-N 0 0 247.121 3.741 10 0 BHAERN CCOc1ccc(-c2ccc(Cl)c(N)c2)cc1 ZINC000041300155 170531270 /nfs/dbraw/zinc/53/12/70/170531270.db2.gz UTZZYKRBKSZGCX-UHFFFAOYSA-N 0 0 247.725 3.988 10 0 BHAERN Cc1ccccc1-c1ccc(Br)nc1 ZINC000041300275 179235994 /nfs/dbraw/zinc/23/59/94/179235994.db2.gz DVZZZQONYHDHCD-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Cc1ccc(-c2ccc(Br)nc2)cc1 ZINC000041300278 178323262 /nfs/dbraw/zinc/32/32/62/178323262.db2.gz WPQWHOPOBWJPRT-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN COC(=O)[C@@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000041301654 348444221 /nfs/dbraw/zinc/44/42/21/348444221.db2.gz PIOHMRCWAZGRFF-OAHLLOKOSA-N 0 0 248.366 3.798 10 0 BHAERN COC(=O)[C@H](c1ccc(CC(C)C)cc1)C(C)C ZINC000041301657 358283595 /nfs/dbraw/zinc/28/35/95/358283595.db2.gz PIOHMRCWAZGRFF-HNNXBMFYSA-N 0 0 248.366 3.798 10 0 BHAERN Cc1ccc(-c2c(N)n[nH]c2-c2ccccc2)cc1 ZINC000041303526 178318265 /nfs/dbraw/zinc/31/82/65/178318265.db2.gz JRPIFUXBFUUONI-UHFFFAOYSA-N 0 0 249.317 3.634 10 0 BHAERN CCCCc1[nH]nc(N)c1-c1ccccc1Cl ZINC000041305196 188476858 /nfs/dbraw/zinc/47/68/58/188476858.db2.gz PJNQAELWTFGBSX-UHFFFAOYSA-N 0 0 249.745 3.655 10 0 BHAERN CC(=O)Nc1ccc(C)cc1-c1ccccc1 ZINC000041531691 358313139 /nfs/dbraw/zinc/31/31/39/358313139.db2.gz KCJSROIEMGYGTA-UHFFFAOYSA-N 0 0 225.291 3.620 10 0 BHAERN CC(C)c1nc2ccc(Br)cc2o1 ZINC000041568988 167680708 /nfs/dbraw/zinc/68/07/08/167680708.db2.gz QIAJKZSKDCUPJB-UHFFFAOYSA-N 0 0 240.100 3.714 10 0 BHAERN C[C@H](Sc1ccc(N)nc1)c1ccccc1 ZINC000041570356 177029083 /nfs/dbraw/zinc/02/90/83/177029083.db2.gz KLIPIFMDAZUFPR-JTQLQIEISA-N 0 0 230.336 3.517 10 0 BHAERN C[C@@H](Sc1ccc(N)nc1)c1ccccc1 ZINC000041570358 176009368 /nfs/dbraw/zinc/00/93/68/176009368.db2.gz KLIPIFMDAZUFPR-SNVBAGLBSA-N 0 0 230.336 3.517 10 0 BHAERN CCCNc1c(Cl)cccc1Cl ZINC000041571460 169294102 /nfs/dbraw/zinc/29/41/02/169294102.db2.gz QORJLYIGDLBELC-UHFFFAOYSA-N 0 0 204.100 3.815 10 0 BHAERN CC(C)Nc1c(Cl)cccc1Cl ZINC000041571468 167142939 /nfs/dbraw/zinc/14/29/39/167142939.db2.gz WFSAEFXYMMRMIZ-UHFFFAOYSA-N 0 0 204.100 3.814 10 0 BHAERN Cc1ccc(OCCCNc2ccccc2)cc1 ZINC000041579384 188119858 /nfs/dbraw/zinc/11/98/58/188119858.db2.gz JCHWJARWTSVOFC-UHFFFAOYSA-N 0 0 241.334 3.876 10 0 BHAERN CCCCCCNc1nc2ccccc2[nH]1 ZINC000041600060 343422212 /nfs/dbraw/zinc/42/22/12/343422212.db2.gz KDABMIRFDCJRFL-UHFFFAOYSA-N 0 0 217.316 3.555 10 0 BHAERN CCNc1nc2c(ccc(Cl)c2C)s1 ZINC000041651439 170176565 /nfs/dbraw/zinc/17/65/65/170176565.db2.gz WNMWCBFOTUXQGV-UHFFFAOYSA-N 0 0 226.732 3.690 10 0 BHAERN CC(C)Nc1nc2c(cccc2Cl)s1 ZINC000041651549 167149226 /nfs/dbraw/zinc/14/92/26/167149226.db2.gz IZDNILXCWMCEEJ-UHFFFAOYSA-N 0 0 226.732 3.770 10 0 BHAERN CC(C)Nc1nc2ccc(Cl)cc2s1 ZINC000041651567 167150148 /nfs/dbraw/zinc/15/01/48/167150148.db2.gz OTDQBKWXLJJRRH-UHFFFAOYSA-N 0 0 226.732 3.770 10 0 BHAERN Nc1nc(-c2cc(Cl)cc(Cl)c2)cs1 ZINC000041656698 181775786 /nfs/dbraw/zinc/77/57/86/181775786.db2.gz IHSQQPRXSGPBTF-UHFFFAOYSA-N 0 0 245.134 3.699 10 0 BHAERN Oc1ccc(-c2cccc(F)c2)cc1Cl ZINC000041660610 183263924 /nfs/dbraw/zinc/26/39/24/183263924.db2.gz AIXKGSDPBCSSHI-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Cc1ccc(-c2cc(N)ccc2C)cc1C ZINC000041660842 178321614 /nfs/dbraw/zinc/32/16/14/178321614.db2.gz ADOWWDWGOYZMOL-UHFFFAOYSA-N 0 0 211.308 3.861 10 0 BHAERN Oc1ccc(-c2cc(F)ccc2O)cc1Cl ZINC000041661324 183264197 /nfs/dbraw/zinc/26/41/97/183264197.db2.gz BPIZWEHRTPCTNV-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN CC(C)[C@H](O)c1cc(Cl)sc1Cl ZINC000041661987 343422661 /nfs/dbraw/zinc/42/26/61/343422661.db2.gz QXOBUBIEKPERPR-ZETCQYMHSA-N 0 0 225.140 3.744 10 0 BHAERN CC(C)[C@@H](O)c1cc(Cl)sc1Cl ZINC000041661993 343422776 /nfs/dbraw/zinc/42/27/76/343422776.db2.gz QXOBUBIEKPERPR-SSDOTTSWSA-N 0 0 225.140 3.744 10 0 BHAERN Cc1ccc(N)cc1-c1cc(F)cc(F)c1 ZINC000041662094 178704781 /nfs/dbraw/zinc/70/47/81/178704781.db2.gz SBIUXAXGDDFBDK-UHFFFAOYSA-N 0 0 219.234 3.522 10 0 BHAERN Oc1ccc(Cl)cc1-c1cc(F)cc(F)c1 ZINC000041662145 183271789 /nfs/dbraw/zinc/27/17/89/183271789.db2.gz YVJQOWPLDPPKFJ-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1ccc(-c2cc(F)cc(F)c2)cc1Cl ZINC000041662151 183264294 /nfs/dbraw/zinc/26/42/94/183264294.db2.gz LWBFLDSIURFOOZ-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Cc1ccc(N)cc1-c1ccc(F)c(F)c1 ZINC000041662454 641544865 /nfs/dbraw/zinc/54/48/65/641544865.db2.gz ORTOGJXQNAMHAM-UHFFFAOYSA-N 0 0 219.234 3.522 10 0 BHAERN Nc1ccc(-c2ccc(F)c(F)c2)c(Cl)c1 ZINC000041662507 181694192 /nfs/dbraw/zinc/69/41/92/181694192.db2.gz JUKVXKXPLRQSSS-UHFFFAOYSA-N 0 0 239.652 3.867 10 0 BHAERN Oc1ccc(Cl)cc1-c1ccc(F)c(F)c1 ZINC000041662514 183272406 /nfs/dbraw/zinc/27/24/06/183272406.db2.gz FXBCTUQMGCCDTD-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1ccc(-c2ccc(F)c(F)c2)cc1Cl ZINC000041662521 183264312 /nfs/dbraw/zinc/26/43/12/183264312.db2.gz FDAJKMGUPYJFPF-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1ccc(Cl)cc1-c1ccc(F)cc1F ZINC000041662891 183271712 /nfs/dbraw/zinc/27/17/12/183271712.db2.gz YJXJXSWHNQKLFO-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1ccc(-c2ccc(F)cc2F)cc1Cl ZINC000041662897 183264789 /nfs/dbraw/zinc/26/47/89/183264789.db2.gz VFGWEIVKUDISMR-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN COc1ccc(F)cc1-c1cc(C=O)ccc1C ZINC000041663674 175127560 /nfs/dbraw/zinc/12/75/60/175127560.db2.gz XZPNDIVHNNWFKY-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN CCC[C@H](O)c1ccc(Cl)cc1Cl ZINC000041665177 343422805 /nfs/dbraw/zinc/42/28/05/343422805.db2.gz LXAHHYKPKAVVDQ-JTQLQIEISA-N 0 0 219.111 3.827 10 0 BHAERN CCC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000041665184 343422720 /nfs/dbraw/zinc/42/27/20/343422720.db2.gz LXAHHYKPKAVVDQ-SNVBAGLBSA-N 0 0 219.111 3.827 10 0 BHAERN O=c1c(Cl)c[nH]c2c(Cl)c(Cl)ccc12 ZINC000041702171 188119650 /nfs/dbraw/zinc/11/96/50/188119650.db2.gz AHCAAPWETZIDBI-UHFFFAOYSA-N 0 0 248.496 3.901 10 0 BHAERN Cc1ccc2ncc(Cl)c(Cl)c2c1 ZINC000041702252 178982240 /nfs/dbraw/zinc/98/22/40/178982240.db2.gz GQZHWYUBBBXVSI-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Cc1cccc2c(Cl)c(Cl)cnc12 ZINC000041702264 179210903 /nfs/dbraw/zinc/21/09/03/179210903.db2.gz LUQDRDDGXQQFIE-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN COc1cccc2c(Cl)c(Cl)cnc12 ZINC000041702291 175298819 /nfs/dbraw/zinc/29/88/19/175298819.db2.gz BQBUVSBSJXEORO-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN Nc1c(Cl)cnc2cc(Cl)cc(Cl)c12 ZINC000041702372 181668735 /nfs/dbraw/zinc/66/87/35/181668735.db2.gz CWZCQFBZVRCQLL-UHFFFAOYSA-N 0 0 247.512 3.777 10 0 BHAERN Oc1ccc(Oc2ccnc3ccccc32)cc1 ZINC000041721612 358334960 /nfs/dbraw/zinc/33/49/60/358334960.db2.gz RCXGGWDTOSIXGH-UHFFFAOYSA-N 0 0 237.258 3.733 10 0 BHAERN Nc1ccccc1SCC1CCCC1 ZINC000042011344 374237751 /nfs/dbraw/zinc/23/77/51/374237751.db2.gz VKIWERDNOSMIAZ-UHFFFAOYSA-N 0 0 207.342 3.551 10 0 BHAERN Nc1ccc(SCC2CCCC2)cc1 ZINC000042011347 374237903 /nfs/dbraw/zinc/23/79/03/374237903.db2.gz LJLIVKNPRWKRDG-UHFFFAOYSA-N 0 0 207.342 3.551 10 0 BHAERN CCCCC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000042161599 410971267 /nfs/dbraw/zinc/97/12/67/410971267.db2.gz KZKYUECQOYVRHA-LBPRGKRZSA-N 0 0 233.355 3.616 10 0 BHAERN CCCCC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000042161601 168624476 /nfs/dbraw/zinc/62/44/76/168624476.db2.gz KZKYUECQOYVRHA-GFCCVEGCSA-N 0 0 233.355 3.616 10 0 BHAERN CCc1ccc([C@@H](C)NC(=O)CC(C)(C)C)cc1 ZINC000042161730 411467940 /nfs/dbraw/zinc/46/79/40/411467940.db2.gz MKDJEMVVPFUSAM-GFCCVEGCSA-N 0 0 247.382 3.862 10 0 BHAERN CCc1ccc([C@H](C)NC(=O)CC(C)(C)C)cc1 ZINC000042161732 410971460 /nfs/dbraw/zinc/97/14/60/410971460.db2.gz MKDJEMVVPFUSAM-LBPRGKRZSA-N 0 0 247.382 3.862 10 0 BHAERN CCCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000042161904 343430303 /nfs/dbraw/zinc/43/03/03/343430303.db2.gz ZAONOHHAOAGGKT-LBPRGKRZSA-N 0 0 241.334 3.817 10 0 BHAERN CCCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000042161906 343430463 /nfs/dbraw/zinc/43/04/63/343430463.db2.gz ZAONOHHAOAGGKT-GFCCVEGCSA-N 0 0 241.334 3.817 10 0 BHAERN CCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000042161980 168236154 /nfs/dbraw/zinc/23/61/54/168236154.db2.gz IRMQGOGWNMGBSK-ZETCQYMHSA-N 0 0 246.137 3.581 10 0 BHAERN CCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000042161982 168239190 /nfs/dbraw/zinc/23/91/90/168239190.db2.gz IRMQGOGWNMGBSK-SSDOTTSWSA-N 0 0 246.137 3.581 10 0 BHAERN Cc1ccccc1[C@@H](C)NC(=O)CCC(C)C ZINC000042162262 179320399 /nfs/dbraw/zinc/32/03/99/179320399.db2.gz AWQUFBPQLWBHFA-CYBMUJFWSA-N 0 0 233.355 3.608 10 0 BHAERN Cc1ccccc1[C@H](C)NC(=O)CCC(C)C ZINC000042162264 179335620 /nfs/dbraw/zinc/33/56/20/179335620.db2.gz AWQUFBPQLWBHFA-ZDUSSCGKSA-N 0 0 233.355 3.608 10 0 BHAERN Cc1ccccc1[C@H](C)NC(=O)[C@H]1CC=CCC1 ZINC000042162379 179337792 /nfs/dbraw/zinc/33/77/92/179337792.db2.gz JHZNIXIOTJLTCG-KBPBESRZSA-N 0 0 243.350 3.529 10 0 BHAERN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CC=CCC1 ZINC000042162383 179336534 /nfs/dbraw/zinc/33/65/34/179336534.db2.gz JHZNIXIOTJLTCG-UONOGXRCSA-N 0 0 243.350 3.529 10 0 BHAERN Cc1ccccc1[C@@H](C)NC(=O)C1CCCCC1 ZINC000042162425 410972516 /nfs/dbraw/zinc/97/25/16/410972516.db2.gz IRBQDRHREYGGOM-CYBMUJFWSA-N 0 0 245.366 3.753 10 0 BHAERN Cc1ccccc1[C@H](C)NC(=O)C1CCCCC1 ZINC000042162427 410973038 /nfs/dbraw/zinc/97/30/38/410973038.db2.gz IRBQDRHREYGGOM-ZDUSSCGKSA-N 0 0 245.366 3.753 10 0 BHAERN CCCCCC(=O)N[C@@H](C)c1ccccc1C ZINC000042162429 410972099 /nfs/dbraw/zinc/97/20/99/410972099.db2.gz XVIZNJLCBDCQLO-ZDUSSCGKSA-N 0 0 233.355 3.753 10 0 BHAERN CCCCCC(=O)N[C@H](C)c1ccccc1C ZINC000042162431 410972811 /nfs/dbraw/zinc/97/28/11/410972811.db2.gz XVIZNJLCBDCQLO-CYBMUJFWSA-N 0 0 233.355 3.753 10 0 BHAERN Cc1ccccc1[C@@H](C)NC(=O)CC(C)(C)C ZINC000042162440 410972732 /nfs/dbraw/zinc/97/27/32/410972732.db2.gz BNKSHZZSTHORHA-GFCCVEGCSA-N 0 0 233.355 3.608 10 0 BHAERN Cc1ccccc1[C@H](C)NC(=O)CC(C)(C)C ZINC000042162442 410973527 /nfs/dbraw/zinc/97/35/27/410973527.db2.gz BNKSHZZSTHORHA-LBPRGKRZSA-N 0 0 233.355 3.608 10 0 BHAERN CCC[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000042162582 410972163 /nfs/dbraw/zinc/97/21/63/410972163.db2.gz VMOYPFXETFOWPJ-OLZOCXBDSA-N 0 0 233.355 3.608 10 0 BHAERN CCC[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000042162584 410973578 /nfs/dbraw/zinc/97/35/78/410973578.db2.gz VMOYPFXETFOWPJ-STQMWFEESA-N 0 0 233.355 3.608 10 0 BHAERN CCC[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000042162586 410972501 /nfs/dbraw/zinc/97/25/01/410972501.db2.gz VMOYPFXETFOWPJ-CHWSQXEVSA-N 0 0 233.355 3.608 10 0 BHAERN CCC[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000042162588 410972362 /nfs/dbraw/zinc/97/23/62/410972362.db2.gz VMOYPFXETFOWPJ-QWHCGFSZSA-N 0 0 233.355 3.608 10 0 BHAERN CC(C)C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000042162730 343430554 /nfs/dbraw/zinc/43/05/54/343430554.db2.gz LRGKHCQBRAFKEP-GFCCVEGCSA-N 0 0 233.355 3.643 10 0 BHAERN CC(C)C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000042162732 166724131 /nfs/dbraw/zinc/72/41/31/166724131.db2.gz LRGKHCQBRAFKEP-LBPRGKRZSA-N 0 0 233.355 3.643 10 0 BHAERN CCCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000042162734 323245017 /nfs/dbraw/zinc/24/50/17/323245017.db2.gz XNTJNYNKWYTNPQ-LBPRGKRZSA-N 0 0 233.355 3.787 10 0 BHAERN CCCC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000042162736 323244962 /nfs/dbraw/zinc/24/49/62/323244962.db2.gz XNTJNYNKWYTNPQ-GFCCVEGCSA-N 0 0 233.355 3.787 10 0 BHAERN c1cc(-c2ccccc2)n(Cc2ccccc2)n1 ZINC000042188355 358341986 /nfs/dbraw/zinc/34/19/86/358341986.db2.gz PQOFFHYKJNXCNH-UHFFFAOYSA-N 0 0 234.302 3.598 10 0 BHAERN Fc1ccccc1-n1nccc1-c1ccccc1 ZINC000042188357 181010524 /nfs/dbraw/zinc/01/05/24/181010524.db2.gz XGSFOORMJJKYMV-UHFFFAOYSA-N 0 0 238.265 3.678 10 0 BHAERN Cc1cc2ncn(-c3ccccc3)c2cc1C ZINC000042202505 374254830 /nfs/dbraw/zinc/25/48/30/374254830.db2.gz NMIDZOSHHWBEQJ-UHFFFAOYSA-N 0 0 222.291 3.642 10 0 BHAERN C[C@H](Nc1ccccn1)c1ccc(Cl)cc1 ZINC000042205811 352615152 /nfs/dbraw/zinc/61/51/52/352615152.db2.gz OXCTWMBKBLPHHM-JTQLQIEISA-N 0 0 232.714 3.908 10 0 BHAERN C[C@@H](Nc1ccccn1)c1ccc(Cl)cc1 ZINC000042205814 352615127 /nfs/dbraw/zinc/61/51/27/352615127.db2.gz OXCTWMBKBLPHHM-SNVBAGLBSA-N 0 0 232.714 3.908 10 0 BHAERN C[C@H](Nc1nccs1)c1ccc(Cl)cc1 ZINC000042209535 176940032 /nfs/dbraw/zinc/94/00/32/176940032.db2.gz DYOAWKIKBYZBCX-QMMMGPOBSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](c1ccccc1Cl)n1cccc1 ZINC000042228123 398030483 /nfs/dbraw/zinc/03/04/83/398030483.db2.gz IQUUPAVTSXLBRD-JTQLQIEISA-N 0 0 205.688 3.751 10 0 BHAERN C[C@H](c1ccccc1Cl)n1cccc1 ZINC000042228126 374254358 /nfs/dbraw/zinc/25/43/58/374254358.db2.gz IQUUPAVTSXLBRD-SNVBAGLBSA-N 0 0 205.688 3.751 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1nccs1 ZINC000042228483 179340092 /nfs/dbraw/zinc/34/00/92/179340092.db2.gz MXODLDVOARSMBI-JTQLQIEISA-N 0 0 218.325 3.625 10 0 BHAERN Cc1csc(N[C@H](C)c2ccccc2C)n1 ZINC000042238128 179790356 /nfs/dbraw/zinc/79/03/56/179790356.db2.gz RXHOGRRPJMFBFJ-LLVKDONJSA-N 0 0 232.352 3.933 10 0 BHAERN Cc1cc(N[C@H](C)c2ccccc2C)nc(C)n1 ZINC000042238130 178187826 /nfs/dbraw/zinc/18/78/26/178187826.db2.gz FAQRJFZKRFILFH-GFCCVEGCSA-N 0 0 241.338 3.575 10 0 BHAERN Cc1cc(N[C@@H](C)c2ccccc2C)nc(C)n1 ZINC000042238131 178178558 /nfs/dbraw/zinc/17/85/58/178178558.db2.gz FAQRJFZKRFILFH-LBPRGKRZSA-N 0 0 241.338 3.575 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1ccc(Cl)nn1 ZINC000042238191 637091289 /nfs/dbraw/zinc/09/12/89/637091289.db2.gz SUKBNRATATYAJE-SNVBAGLBSA-N 0 0 247.729 3.612 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1ccc(Cl)nn1 ZINC000042238192 637091017 /nfs/dbraw/zinc/09/10/17/637091017.db2.gz SUKBNRATATYAJE-JTQLQIEISA-N 0 0 247.729 3.612 10 0 BHAERN CCC1CCC(NC(=O)c2ccccc2F)CC1 ZINC000042239096 322837396 /nfs/dbraw/zinc/83/73/96/322837396.db2.gz ZLYYXFOYSGHCJU-UHFFFAOYSA-N 0 0 249.329 3.524 10 0 BHAERN CCOc1ccc([C@H](O)c2sccc2C)cc1 ZINC000042268302 170563862 /nfs/dbraw/zinc/56/38/62/170563862.db2.gz KGNPNOOCQPXOCP-ZDUSSCGKSA-N 0 0 248.347 3.537 10 0 BHAERN Cc1ccsc1[C@@H](O)c1ccc2c(c1)CCC2 ZINC000042268439 179554076 /nfs/dbraw/zinc/55/40/76/179554076.db2.gz DUNMFNQMILCERC-AWEZNQCLSA-N 0 0 244.359 3.627 10 0 BHAERN C[C@H](OC1CCC(C)CC1)c1cccc(N)c1 ZINC000042288351 168168394 /nfs/dbraw/zinc/16/83/94/168168394.db2.gz BTGOYCPFKLGFTG-AVERBVTBSA-N 0 0 233.355 3.925 10 0 BHAERN C[C@@H](OC1CCC(C)CC1)c1cccc(N)c1 ZINC000042288352 168167908 /nfs/dbraw/zinc/16/79/08/168167908.db2.gz BTGOYCPFKLGFTG-MQYJIDSJSA-N 0 0 233.355 3.925 10 0 BHAERN C[C@H](O[C@H]1CCCC[C@H]1C)c1cccc(N)c1 ZINC000042288370 177022052 /nfs/dbraw/zinc/02/20/52/177022052.db2.gz ZKMGZPJPQNIPEZ-XUJVJEKNSA-N 0 0 233.355 3.925 10 0 BHAERN C[C@H](O[C@H]1CCCC[C@@H]1C)c1cccc(N)c1 ZINC000042288372 177022036 /nfs/dbraw/zinc/02/20/36/177022036.db2.gz ZKMGZPJPQNIPEZ-HUBLWGQQSA-N 0 0 233.355 3.925 10 0 BHAERN C[C@H](O[C@@H]1CCCC[C@H]1C)c1cccc(N)c1 ZINC000042288373 177021851 /nfs/dbraw/zinc/02/18/51/177021851.db2.gz ZKMGZPJPQNIPEZ-TYNCELHUSA-N 0 0 233.355 3.925 10 0 BHAERN C[C@H](O[C@@H]1CCCC[C@@H]1C)c1cccc(N)c1 ZINC000042288375 177021876 /nfs/dbraw/zinc/02/18/76/177021876.db2.gz ZKMGZPJPQNIPEZ-SLEUVZQESA-N 0 0 233.355 3.925 10 0 BHAERN C[C@H](OC1CCC(C)CC1)c1ccc(N)cc1 ZINC000042288424 168168356 /nfs/dbraw/zinc/16/83/56/168168356.db2.gz DIFCCWAULWAWMF-AVERBVTBSA-N 0 0 233.355 3.925 10 0 BHAERN C[C@@H](OC1CCC(C)CC1)c1ccc(N)cc1 ZINC000042288426 168168330 /nfs/dbraw/zinc/16/83/30/168168330.db2.gz DIFCCWAULWAWMF-MQYJIDSJSA-N 0 0 233.355 3.925 10 0 BHAERN C[C@H](O[C@H]1CCCC[C@H]1C)c1ccc(N)cc1 ZINC000042288444 177021558 /nfs/dbraw/zinc/02/15/58/177021558.db2.gz KOGIFXDGOAFZNG-XUJVJEKNSA-N 0 0 233.355 3.925 10 0 BHAERN C[C@H](O[C@H]1CCCC[C@@H]1C)c1ccc(N)cc1 ZINC000042288446 177021907 /nfs/dbraw/zinc/02/19/07/177021907.db2.gz KOGIFXDGOAFZNG-HUBLWGQQSA-N 0 0 233.355 3.925 10 0 BHAERN C[C@H](O[C@@H]1CCCC[C@H]1C)c1ccc(N)cc1 ZINC000042288448 177021814 /nfs/dbraw/zinc/02/18/14/177021814.db2.gz KOGIFXDGOAFZNG-TYNCELHUSA-N 0 0 233.355 3.925 10 0 BHAERN C[C@H](O[C@@H]1CCCC[C@@H]1C)c1ccc(N)cc1 ZINC000042288450 177021511 /nfs/dbraw/zinc/02/15/11/177021511.db2.gz KOGIFXDGOAFZNG-SLEUVZQESA-N 0 0 233.355 3.925 10 0 BHAERN O=C(c1ccco1)c1ccc(Cl)cc1Cl ZINC000042288527 343433361 /nfs/dbraw/zinc/43/33/61/343433361.db2.gz ITXHNUCMOMONKM-UHFFFAOYSA-N 0 0 241.073 3.817 10 0 BHAERN CCC1CCC(Nc2cncc(Cl)n2)CC1 ZINC000042291602 168522912 /nfs/dbraw/zinc/52/29/12/168522912.db2.gz DOJRRUHBQYAUSZ-UHFFFAOYSA-N 0 0 239.750 3.511 10 0 BHAERN CCCCCc1noc(N)c1-c1ccccc1F ZINC000042325712 168749894 /nfs/dbraw/zinc/74/98/94/168749894.db2.gz ONJJPYUHSGBBSM-UHFFFAOYSA-N 0 0 248.301 3.796 10 0 BHAERN CCn1cc(N[C@H](c2cccs2)C2CC2)cn1 ZINC000042329529 172188308 /nfs/dbraw/zinc/18/83/08/172188308.db2.gz NEOGJNKFEBJGIZ-ZDUSSCGKSA-N 0 0 247.367 3.528 10 0 BHAERN Cc1n[nH]c(C)c1N[C@@H](c1cccs1)C1CC1 ZINC000042329532 179830902 /nfs/dbraw/zinc/83/09/02/179830902.db2.gz KPJDNSBFBPIJOG-CYBMUJFWSA-N 0 0 247.367 3.651 10 0 BHAERN COc1cc(F)ccc1NCC1CCCCC1 ZINC000042337630 174994542 /nfs/dbraw/zinc/99/45/42/174994542.db2.gz YJHYGLPNUJFMEI-UHFFFAOYSA-N 0 0 237.318 3.827 10 0 BHAERN C[C@H](Nc1ccccn1)c1ccc(Cl)s1 ZINC000042338003 344450926 /nfs/dbraw/zinc/45/09/26/344450926.db2.gz YOURSGJJTXXTRY-QMMMGPOBSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](Nc1ccccn1)c1ccc(Cl)s1 ZINC000042338004 344450912 /nfs/dbraw/zinc/45/09/12/344450912.db2.gz YOURSGJJTXXTRY-MRVPVSSYSA-N 0 0 238.743 3.970 10 0 BHAERN CCC1CCC(Nc2nccs2)CC1 ZINC000042338497 643506768 /nfs/dbraw/zinc/50/67/68/643506768.db2.gz UBDYAUWBYIUBLK-UHFFFAOYSA-N 0 0 210.346 3.524 10 0 BHAERN COc1ccc(NCc2ccccc2)cc1C ZINC000042350245 361982605 /nfs/dbraw/zinc/98/26/05/361982605.db2.gz HUNWZGCXTNRKPD-UHFFFAOYSA-N 0 0 227.307 3.616 10 0 BHAERN Cc1ccc([C@H](O)c2ccc(F)cc2)cc1C ZINC000042351951 178916210 /nfs/dbraw/zinc/91/62/10/178916210.db2.gz CDSWNXRKXYKYHN-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc([C@@H](O)c2ccc(F)cc2)cc1C ZINC000042351953 386688746 /nfs/dbraw/zinc/68/87/46/386688746.db2.gz CDSWNXRKXYKYHN-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc(C)c([C@H](O)c2ccc(F)cc2)c1 ZINC000042352026 352627605 /nfs/dbraw/zinc/62/76/05/352627605.db2.gz IHVVBOPXCZURQX-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc(C)c([C@@H](O)c2ccc(F)cc2)c1 ZINC000042352028 386687611 /nfs/dbraw/zinc/68/76/11/386687611.db2.gz IHVVBOPXCZURQX-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN CCC[C@H](O)c1cc(Cl)ccc1Cl ZINC000042352211 343434945 /nfs/dbraw/zinc/43/49/45/343434945.db2.gz UOQSLZPGMORRCL-JTQLQIEISA-N 0 0 219.111 3.827 10 0 BHAERN CCC[C@@H](O)c1cc(Cl)ccc1Cl ZINC000042352213 398014021 /nfs/dbraw/zinc/01/40/21/398014021.db2.gz UOQSLZPGMORRCL-SNVBAGLBSA-N 0 0 219.111 3.827 10 0 BHAERN CCC[C@H](O)c1cc(Cl)sc1Cl ZINC000042352219 398013990 /nfs/dbraw/zinc/01/39/90/398013990.db2.gz FAFIOSORQCAZAX-LURJTMIESA-N 0 0 225.140 3.888 10 0 BHAERN CCC[C@@H](O)c1cc(Cl)sc1Cl ZINC000042352221 398014129 /nfs/dbraw/zinc/01/41/29/398014129.db2.gz FAFIOSORQCAZAX-ZCFIWIBFSA-N 0 0 225.140 3.888 10 0 BHAERN CC1(Nc2ccc(N)c3cccnc23)CCCC1 ZINC000042375818 168064574 /nfs/dbraw/zinc/06/45/74/168064574.db2.gz JZFVMAIJTPZYCV-UHFFFAOYSA-N 0 0 241.338 3.562 10 0 BHAERN O=C1CCC[C@H]1Cc1c(Cl)cccc1Cl ZINC000042397214 361995704 /nfs/dbraw/zinc/99/57/04/361995704.db2.gz LMFPJLSFMIXKDD-QMMMGPOBSA-N 0 0 243.133 3.905 10 0 BHAERN O=C1CCC[C@@H]1Cc1c(Cl)cccc1Cl ZINC000042397218 361996005 /nfs/dbraw/zinc/99/60/05/361996005.db2.gz LMFPJLSFMIXKDD-MRVPVSSYSA-N 0 0 243.133 3.905 10 0 BHAERN Cc1ccccc1-c1nc2c(c(Cl)n1)CCC2 ZINC000042400170 179237654 /nfs/dbraw/zinc/23/76/54/179237654.db2.gz SAZVCABZVWYGIS-UHFFFAOYSA-N 0 0 244.725 3.594 10 0 BHAERN Cc1ccc(-c2nc3c(c(Cl)n2)CCC3)cc1 ZINC000042400177 178336212 /nfs/dbraw/zinc/33/62/12/178336212.db2.gz BHGRLNAAQVHUHS-UHFFFAOYSA-N 0 0 244.725 3.594 10 0 BHAERN Cc1cccc(-c2nc3c(c(Cl)n2)CCC3)c1 ZINC000042400185 178997124 /nfs/dbraw/zinc/99/71/24/178997124.db2.gz QJRLIDRJGPHUKG-UHFFFAOYSA-N 0 0 244.725 3.594 10 0 BHAERN CCc1ccc(C[C@@H]2CCCCC2=O)s1 ZINC000042401339 361996763 /nfs/dbraw/zinc/99/67/63/361996763.db2.gz FSFGWBQICJTONB-JTQLQIEISA-N 0 0 222.353 3.612 10 0 BHAERN CCc1ccc(C[C@H]2CCCCC2=O)s1 ZINC000042401344 361997350 /nfs/dbraw/zinc/99/73/50/361997350.db2.gz FSFGWBQICJTONB-SNVBAGLBSA-N 0 0 222.353 3.612 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1cccc(F)n1 ZINC000042416718 179323096 /nfs/dbraw/zinc/32/30/96/179323096.db2.gz GJSDWVZZUGVFAO-LLVKDONJSA-N 0 0 230.286 3.702 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1cccc(F)n1 ZINC000042416719 179340745 /nfs/dbraw/zinc/34/07/45/179340745.db2.gz GJSDWVZZUGVFAO-NSHDSACASA-N 0 0 230.286 3.702 10 0 BHAERN CCC1CCC(Nc2cccc(F)n2)CC1 ZINC000042417130 352622298 /nfs/dbraw/zinc/62/22/98/352622298.db2.gz XXAOFXVJGZVZTQ-UHFFFAOYSA-N 0 0 222.307 3.601 10 0 BHAERN C[C@@H](O)c1ccc(N(C)C2CCC(C)CC2)cc1 ZINC000042487932 168159314 /nfs/dbraw/zinc/15/93/14/168159314.db2.gz OTWVWHHSDNMXTB-JVWICGRDSA-N 0 0 247.382 3.755 10 0 BHAERN C[C@@H](O)c1ccccc1N(C)C1CCC(C)CC1 ZINC000042487934 168160355 /nfs/dbraw/zinc/16/03/55/168160355.db2.gz KQQWHCZPVFWDFJ-ROKHWSDSSA-N 0 0 247.382 3.755 10 0 BHAERN C[C@@H](O)c1ccc(N(C)CC2CCCCC2)cc1 ZINC000042493681 175999472 /nfs/dbraw/zinc/99/94/72/175999472.db2.gz CDEBXVDQJXVBBA-CYBMUJFWSA-N 0 0 247.382 3.756 10 0 BHAERN C[C@@H](O)c1ccccc1N(C)CC1CCCCC1 ZINC000042493683 176000090 /nfs/dbraw/zinc/00/00/90/176000090.db2.gz RMEPZLJBCXDZEP-CYBMUJFWSA-N 0 0 247.382 3.756 10 0 BHAERN CCC1CCC(N(C)c2ccccc2CO)CC1 ZINC000042516365 168519076 /nfs/dbraw/zinc/51/90/76/168519076.db2.gz PPZDLICFSZJYAP-UHFFFAOYSA-N 0 0 247.382 3.584 10 0 BHAERN CC(C)N(Cc1cccs1)c1cccc(N)c1 ZINC000042517553 188120873 /nfs/dbraw/zinc/12/08/73/188120873.db2.gz DGIFXGGAYGMKSY-UHFFFAOYSA-N 0 0 246.379 3.745 10 0 BHAERN CC(C)N(Cc1cccs1)c1ccccc1N ZINC000042517566 188293942 /nfs/dbraw/zinc/29/39/42/188293942.db2.gz RMJXXGXGWLINAS-UHFFFAOYSA-N 0 0 246.379 3.745 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1ccc(N)c2ncccc12 ZINC000042552525 171367822 /nfs/dbraw/zinc/36/78/22/171367822.db2.gz HVJWNVGRYZFXKC-WDEREUQCSA-N 0 0 243.354 3.664 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1ccc(N)c2ncccc12 ZINC000042552531 171391691 /nfs/dbraw/zinc/39/16/91/171391691.db2.gz HVJWNVGRYZFXKC-QWRGUYRKSA-N 0 0 243.354 3.664 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1ccc(N)c2cccnc12 ZINC000042552537 171367727 /nfs/dbraw/zinc/36/77/27/171367727.db2.gz YSBKNBTUILWEAR-WDEREUQCSA-N 0 0 243.354 3.664 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1ccc(N)c2cccnc12 ZINC000042552542 171390905 /nfs/dbraw/zinc/39/09/05/171390905.db2.gz YSBKNBTUILWEAR-QWRGUYRKSA-N 0 0 243.354 3.664 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1ccc2cc(N)ccc2n1 ZINC000042552560 171367888 /nfs/dbraw/zinc/36/78/88/171367888.db2.gz RWVSMXPNZJSHHC-WDEREUQCSA-N 0 0 243.354 3.664 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1ccc2cc(N)ccc2n1 ZINC000042552566 171391670 /nfs/dbraw/zinc/39/16/70/171391670.db2.gz RWVSMXPNZJSHHC-QWRGUYRKSA-N 0 0 243.354 3.664 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1ccc2scnc2c1N ZINC000042552572 171367905 /nfs/dbraw/zinc/36/79/05/171367905.db2.gz NNLJQDOLGRJMAR-DTWKUNHWSA-N 0 0 249.383 3.725 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1ccc2scnc2c1N ZINC000042552578 171391471 /nfs/dbraw/zinc/39/14/71/171391471.db2.gz NNLJQDOLGRJMAR-IUCAKERBSA-N 0 0 249.383 3.725 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1ccc2ncccc2c1N ZINC000042552643 171367687 /nfs/dbraw/zinc/36/76/87/171367687.db2.gz MQHKAZVCDJVNKN-WDEREUQCSA-N 0 0 243.354 3.664 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1ccc2ncccc2c1N ZINC000042552649 171391289 /nfs/dbraw/zinc/39/12/89/171391289.db2.gz MQHKAZVCDJVNKN-QWRGUYRKSA-N 0 0 243.354 3.664 10 0 BHAERN CCCCCN(c1ccc(N)cc1F)C(C)C ZINC000042556175 168692995 /nfs/dbraw/zinc/69/29/95/168692995.db2.gz BELQPYZJZHZXGG-UHFFFAOYSA-N 0 0 238.350 3.813 10 0 BHAERN CCCCCN(c1cccc(F)c1N)C(C)C ZINC000042556284 168692946 /nfs/dbraw/zinc/69/29/46/168692946.db2.gz XXOXMRRBHKYOAB-UHFFFAOYSA-N 0 0 238.350 3.813 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1cc(C)nc(C(C)C)n1 ZINC000042557048 171368005 /nfs/dbraw/zinc/36/80/05/171368005.db2.gz KGCNBYNLJKREFK-CMPLNLGQSA-N 0 0 235.375 3.755 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1cc(C)nc(C(C)C)n1 ZINC000042557054 171391401 /nfs/dbraw/zinc/39/14/01/171391401.db2.gz KGCNBYNLJKREFK-JQWIXIFHSA-N 0 0 235.375 3.755 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1ncccc1C(F)(F)F ZINC000042557355 171368019 /nfs/dbraw/zinc/36/80/19/171368019.db2.gz JAAZSEZHCFTDQH-DTWKUNHWSA-N 0 0 246.276 3.947 10 0 BHAERN CC[C@@H](C)[C@H](C)Nc1ncccc1C(F)(F)F ZINC000042557358 170792376 /nfs/dbraw/zinc/79/23/76/170792376.db2.gz JAAZSEZHCFTDQH-BDAKNGLRSA-N 0 0 246.276 3.947 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1ncccc1C(F)(F)F ZINC000042557360 171392567 /nfs/dbraw/zinc/39/25/67/171392567.db2.gz JAAZSEZHCFTDQH-IUCAKERBSA-N 0 0 246.276 3.947 10 0 BHAERN CC(=O)c1c(F)cccc1N(CC(C)C)C1CC1 ZINC000042557563 166433884 /nfs/dbraw/zinc/43/38/84/166433884.db2.gz CFCMXNSDCNPGIY-UHFFFAOYSA-N 0 0 249.329 3.653 10 0 BHAERN CCCCCN(c1ccccc1C=O)C(C)C ZINC000042557735 168692678 /nfs/dbraw/zinc/69/26/78/168692678.db2.gz FTHRBSIFOZSOGE-UHFFFAOYSA-N 0 0 233.355 3.904 10 0 BHAERN CCCCC[C@H](C)Nc1c(F)cc(N)cc1F ZINC000042561652 168744420 /nfs/dbraw/zinc/74/44/20/168744420.db2.gz MAMOMDXIXNHGOT-VIFPVBQESA-N 0 0 242.313 3.928 10 0 BHAERN CCCCC[C@H](C)n1c(N)nc2c1cccc2F ZINC000042572387 168744338 /nfs/dbraw/zinc/74/43/38/168744338.db2.gz QRIASOILKCLAES-JTQLQIEISA-N 0 0 249.333 3.899 10 0 BHAERN CC[C@H]1CCCC[C@H]1Nc1ccc(N)cc1C ZINC000042577626 171612937 /nfs/dbraw/zinc/61/29/37/171612937.db2.gz SWKWQTQABSXCEC-SWLSCSKDSA-N 0 0 232.371 3.958 10 0 BHAERN CC[C@H]1CCCC[C@H]1Nc1ccc(C)cc1N ZINC000042577637 171613101 /nfs/dbraw/zinc/61/31/01/171613101.db2.gz UEDWHKJDHYOJFX-GXTWGEPZSA-N 0 0 232.371 3.958 10 0 BHAERN CC[C@H]1CCCC[C@@H]1Nc1cc(N)cc(F)c1 ZINC000042577721 171610482 /nfs/dbraw/zinc/61/04/82/171610482.db2.gz CNXUZDSUYBGMEE-HZMBPMFUSA-N 0 0 236.334 3.789 10 0 BHAERN CC[C@@H]1CCCC[C@H]1Nc1cc(N)cc(F)c1 ZINC000042577724 170971038 /nfs/dbraw/zinc/97/10/38/170971038.db2.gz CNXUZDSUYBGMEE-QMTHXVAHSA-N 0 0 236.334 3.789 10 0 BHAERN CC[C@H]1CCCC[C@H]1Nc1cc(N)cc(F)c1 ZINC000042577727 171613103 /nfs/dbraw/zinc/61/31/03/171613103.db2.gz CNXUZDSUYBGMEE-IINYFYTJSA-N 0 0 236.334 3.789 10 0 BHAERN CCC1CCC(Nc2ccc(F)cc2N)CC1 ZINC000042577941 168522546 /nfs/dbraw/zinc/52/25/46/168522546.db2.gz BGIOPABNELGLEM-UHFFFAOYSA-N 0 0 236.334 3.789 10 0 BHAERN CCC1CCC(Nc2ccc(C)cc2N)CC1 ZINC000042577961 168522801 /nfs/dbraw/zinc/52/28/01/168522801.db2.gz FNWWFEFGBLDCFN-UHFFFAOYSA-N 0 0 232.371 3.958 10 0 BHAERN CC(C)CN(c1ccc(N)cc1Cl)C(C)C ZINC000042578880 166962696 /nfs/dbraw/zinc/96/26/96/166962696.db2.gz HQYAGEUGBCIGNW-UHFFFAOYSA-N 0 0 240.778 3.793 10 0 BHAERN CCC1CCC(Nc2ccc(F)cn2)CC1 ZINC000042581122 322839185 /nfs/dbraw/zinc/83/91/85/322839185.db2.gz BQHJUXNMLATIQZ-UHFFFAOYSA-N 0 0 222.307 3.601 10 0 BHAERN CC[C@@H]1CCCC[C@@H]1n1cc[nH]c1=S ZINC000042581184 362010512 /nfs/dbraw/zinc/01/05/12/362010512.db2.gz UROSMXGRYGPUBR-ZJUUUORDSA-N 0 0 210.346 3.687 10 0 BHAERN CC[C@H]1CCCC[C@@H]1n1cc[nH]c1=S ZINC000042581187 362010374 /nfs/dbraw/zinc/01/03/74/362010374.db2.gz UROSMXGRYGPUBR-UWVGGRQHSA-N 0 0 210.346 3.687 10 0 BHAERN CC[C@@H]1CCCC[C@H]1n1cc[nH]c1=S ZINC000042581190 362010205 /nfs/dbraw/zinc/01/02/05/362010205.db2.gz UROSMXGRYGPUBR-NXEZZACHSA-N 0 0 210.346 3.687 10 0 BHAERN CC[C@H]1CCCC[C@H]1n1cc[nH]c1=S ZINC000042581193 362010532 /nfs/dbraw/zinc/01/05/32/362010532.db2.gz UROSMXGRYGPUBR-VHSXEESVSA-N 0 0 210.346 3.687 10 0 BHAERN CCC1CCC(n2cc[nH]c2=S)CC1 ZINC000042581199 362011128 /nfs/dbraw/zinc/01/11/28/362011128.db2.gz SKLNKQLJAYZVJA-UHFFFAOYSA-N 0 0 210.346 3.687 10 0 BHAERN CC(=O)c1ccccc1N(CC(C)C)C(C)C ZINC000042584525 166481097 /nfs/dbraw/zinc/48/10/97/166481097.db2.gz UARNHIKTNZRBSN-UHFFFAOYSA-N 0 0 233.355 3.760 10 0 BHAERN CC(C)C[C@@H](C)N(C)c1ccc(C=O)cc1F ZINC000042585054 187266309 /nfs/dbraw/zinc/26/63/09/187266309.db2.gz NMYUQHLHJVGNBX-LLVKDONJSA-N 0 0 237.318 3.509 10 0 BHAERN CC(C)C[C@H](C)N(C)c1ccc(C=O)cc1F ZINC000042585057 187603675 /nfs/dbraw/zinc/60/36/75/187603675.db2.gz NMYUQHLHJVGNBX-NSHDSACASA-N 0 0 237.318 3.509 10 0 BHAERN CC(C)C[C@H](C)N(C)c1ccc([C@@H](C)O)cc1 ZINC000042585975 188120867 /nfs/dbraw/zinc/12/08/67/188120867.db2.gz GERBNCNIDMOTPN-QWHCGFSZSA-N 0 0 235.371 3.611 10 0 BHAERN CC(C)C[C@@H](C)N(C)c1ccccc1[C@@H](C)O ZINC000042585984 188120603 /nfs/dbraw/zinc/12/06/03/188120603.db2.gz IBMKHGIXMLSNCM-CHWSQXEVSA-N 0 0 235.371 3.611 10 0 BHAERN CC(C)CN(c1ccccc1[C@@H](C)O)C(C)C ZINC000042586209 166963419 /nfs/dbraw/zinc/96/34/19/166963419.db2.gz XYSSSAMWHUTGNI-CYBMUJFWSA-N 0 0 235.371 3.611 10 0 BHAERN CC(C)CN(c1ccccc1[C@H](C)O)C(C)C ZINC000042586212 166963350 /nfs/dbraw/zinc/96/33/50/166963350.db2.gz XYSSSAMWHUTGNI-ZDUSSCGKSA-N 0 0 235.371 3.611 10 0 BHAERN CC[C@@H](Nc1ccc(N)c2ncccc12)C(C)C ZINC000042586751 170915685 /nfs/dbraw/zinc/91/56/85/170915685.db2.gz IDAZMXVZYLHWOI-CYBMUJFWSA-N 0 0 243.354 3.664 10 0 BHAERN CC[C@H](Nc1nc2ccccc2o1)C(C)C ZINC000042590751 384643043 /nfs/dbraw/zinc/64/30/43/384643043.db2.gz GOEBGEDCOQODMZ-JTQLQIEISA-N 0 0 218.300 3.674 10 0 BHAERN CC[C@@H](Nc1nc2ccccc2o1)C(C)C ZINC000042590754 384641846 /nfs/dbraw/zinc/64/18/46/384641846.db2.gz GOEBGEDCOQODMZ-SNVBAGLBSA-N 0 0 218.300 3.674 10 0 BHAERN CC[C@H](Nc1ccc(Cl)cn1)C(C)C ZINC000042591063 384642981 /nfs/dbraw/zinc/64/29/81/384642981.db2.gz GBXMHBTXQRLPSE-JTQLQIEISA-N 0 0 212.724 3.582 10 0 BHAERN CC[C@@H](Nc1ccc(Cl)cn1)C(C)C ZINC000042591066 322839174 /nfs/dbraw/zinc/83/91/74/322839174.db2.gz GBXMHBTXQRLPSE-SNVBAGLBSA-N 0 0 212.724 3.582 10 0 BHAERN CC[C@H](Nc1ncccc1Cl)C(C)C ZINC000042591086 322839168 /nfs/dbraw/zinc/83/91/68/322839168.db2.gz BGDFYHFCUPJNJH-JTQLQIEISA-N 0 0 212.724 3.582 10 0 BHAERN CC[C@@H](Nc1ncccc1Cl)C(C)C ZINC000042591089 322839138 /nfs/dbraw/zinc/83/91/38/322839138.db2.gz BGDFYHFCUPJNJH-SNVBAGLBSA-N 0 0 212.724 3.582 10 0 BHAERN CC[C@H](Nc1ccc(C(F)(F)F)cn1)C(C)C ZINC000042591140 343000436 /nfs/dbraw/zinc/00/04/36/343000436.db2.gz YTJBZDSEOWZRJV-JTQLQIEISA-N 0 0 246.276 3.947 10 0 BHAERN CC[C@@H](Nc1ccc(C(F)(F)F)cn1)C(C)C ZINC000042591143 343000435 /nfs/dbraw/zinc/00/04/35/343000435.db2.gz YTJBZDSEOWZRJV-SNVBAGLBSA-N 0 0 246.276 3.947 10 0 BHAERN CC[C@H](Nc1ncccc1C(F)(F)F)C(C)C ZINC000042591181 171553112 /nfs/dbraw/zinc/55/31/12/171553112.db2.gz UHUYWJAKPYQPCY-JTQLQIEISA-N 0 0 246.276 3.947 10 0 BHAERN CC[C@H](Nc1ncnc2sccc21)C(C)C ZINC000042591221 358527591 /nfs/dbraw/zinc/52/75/91/358527591.db2.gz KYAGTIOSDSGDDP-JTQLQIEISA-N 0 0 235.356 3.538 10 0 BHAERN CC[C@@H](Nc1ncnc2sccc21)C(C)C ZINC000042591224 358527574 /nfs/dbraw/zinc/52/75/74/358527574.db2.gz KYAGTIOSDSGDDP-SNVBAGLBSA-N 0 0 235.356 3.538 10 0 BHAERN CC[C@H](Nc1ncnc2ccsc21)C(C)C ZINC000042591239 358527289 /nfs/dbraw/zinc/52/72/89/358527289.db2.gz DOKVQJMPPZLLKD-VIFPVBQESA-N 0 0 235.356 3.538 10 0 BHAERN CC[C@@H](Nc1ncnc2ccsc21)C(C)C ZINC000042591241 170918059 /nfs/dbraw/zinc/91/80/59/170918059.db2.gz DOKVQJMPPZLLKD-SECBINFHSA-N 0 0 235.356 3.538 10 0 BHAERN Cc1cc(N[C@H](C)CCCC(C)C)nc(C)n1 ZINC000042591291 178186322 /nfs/dbraw/zinc/18/63/22/178186322.db2.gz USPLZBVDZZPEQS-LLVKDONJSA-N 0 0 235.375 3.720 10 0 BHAERN Cc1cc(C)nc(N[C@@H](C)CCCC(C)C)n1 ZINC000042591359 177945176 /nfs/dbraw/zinc/94/51/76/177945176.db2.gz SQDAXTFYBAAPQM-NSHDSACASA-N 0 0 235.375 3.720 10 0 BHAERN C[C@@H](c1ccc(Cl)s1)n1cc[nH]c1=S ZINC000042591463 362011432 /nfs/dbraw/zinc/01/14/32/362011432.db2.gz DBXOTEMKOBQCCR-LURJTMIESA-N 0 0 244.772 3.870 10 0 BHAERN C[C@H](c1ccc(Cl)s1)n1cc[nH]c1=S ZINC000042591466 362012044 /nfs/dbraw/zinc/01/20/44/362012044.db2.gz DBXOTEMKOBQCCR-ZCFIWIBFSA-N 0 0 244.772 3.870 10 0 BHAERN C[C@@H](c1ccc(Cl)s1)n1cccc1C=O ZINC000042592983 362012707 /nfs/dbraw/zinc/01/27/07/362012707.db2.gz IVKLUVMJCDRCPU-QMMMGPOBSA-N 0 0 239.727 3.625 10 0 BHAERN C[C@H](c1ccc(Cl)s1)n1cccc1C=O ZINC000042592986 362013591 /nfs/dbraw/zinc/01/35/91/362013591.db2.gz IVKLUVMJCDRCPU-MRVPVSSYSA-N 0 0 239.727 3.625 10 0 BHAERN C[C@@H](c1ccc(Cl)s1)n1cccc1 ZINC000042593081 343445030 /nfs/dbraw/zinc/44/50/30/343445030.db2.gz CUZNXSKHBMSFBD-QMMMGPOBSA-N 0 0 211.717 3.812 10 0 BHAERN C[C@H](c1ccc(Cl)s1)n1cccc1 ZINC000042593084 362012653 /nfs/dbraw/zinc/01/26/53/362012653.db2.gz CUZNXSKHBMSFBD-MRVPVSSYSA-N 0 0 211.717 3.812 10 0 BHAERN Cc1cc(N)ccc1N[C@@H](C)Cc1ccsc1 ZINC000042599240 178107355 /nfs/dbraw/zinc/10/73/55/178107355.db2.gz LXFLBSSVJNEDIE-NSHDSACASA-N 0 0 246.379 3.682 10 0 BHAERN Cc1cc(N)ccc1N[C@H](C)Cc1ccsc1 ZINC000042599243 178107144 /nfs/dbraw/zinc/10/71/44/178107144.db2.gz LXFLBSSVJNEDIE-LLVKDONJSA-N 0 0 246.379 3.682 10 0 BHAERN Cc1cc(N[C@@H](C)Cc2ccsc2)ccc1N ZINC000042599285 178178530 /nfs/dbraw/zinc/17/85/30/178178530.db2.gz STRWEQBTPHBVMI-NSHDSACASA-N 0 0 246.379 3.682 10 0 BHAERN Cc1cc(N[C@H](C)Cc2ccsc2)ccc1N ZINC000042599289 178185869 /nfs/dbraw/zinc/18/58/69/178185869.db2.gz STRWEQBTPHBVMI-LLVKDONJSA-N 0 0 246.379 3.682 10 0 BHAERN Cc1ccc([C@@H](C)Nc2cccc(N)c2)s1 ZINC000042599538 178851530 /nfs/dbraw/zinc/85/15/30/178851530.db2.gz TXRLZLWLYXCNJB-SNVBAGLBSA-N 0 0 232.352 3.812 10 0 BHAERN CCCCN(c1ccc(F)cc1N)[C@@H](C)CC ZINC000042602432 168823265 /nfs/dbraw/zinc/82/32/65/168823265.db2.gz LHBAZKHHJJJACU-NSHDSACASA-N 0 0 238.350 3.813 10 0 BHAERN CCCCN(c1cccc(F)c1N)[C@H](C)CC ZINC000042602506 168823314 /nfs/dbraw/zinc/82/33/14/168823314.db2.gz JHGNQQMPJGWPKX-LLVKDONJSA-N 0 0 238.350 3.813 10 0 BHAERN CCCCN(c1ccccc1C=O)[C@H](C)CC ZINC000042608149 168823625 /nfs/dbraw/zinc/82/36/25/168823625.db2.gz NZCHHBYFDSNACX-CYBMUJFWSA-N 0 0 233.355 3.904 10 0 BHAERN CCCCN(c1ccc(C=O)cc1)[C@@H](C)CC ZINC000042608150 168822249 /nfs/dbraw/zinc/82/22/49/168822249.db2.gz RPZGALPOMKHVBJ-ZDUSSCGKSA-N 0 0 233.355 3.904 10 0 BHAERN CCCCN(c1ccc(C=O)cc1)[C@H](C)CC ZINC000042608151 168822733 /nfs/dbraw/zinc/82/27/33/168822733.db2.gz RPZGALPOMKHVBJ-CYBMUJFWSA-N 0 0 233.355 3.904 10 0 BHAERN C[C@@H]1CCCC[C@@H]1N(C)c1ccccc1C=O ZINC000042608194 176078467 /nfs/dbraw/zinc/07/84/67/176078467.db2.gz QAOGWYJVMSTONS-OCCSQVGLSA-N 0 0 231.339 3.514 10 0 BHAERN C[C@H]1CCCC[C@@H]1N(C)c1ccccc1C=O ZINC000042608195 177082097 /nfs/dbraw/zinc/08/20/97/177082097.db2.gz QAOGWYJVMSTONS-JSGCOSHPSA-N 0 0 231.339 3.514 10 0 BHAERN C[C@@H]1CCCC[C@H]1N(C)c1ccccc1C=O ZINC000042608196 176086718 /nfs/dbraw/zinc/08/67/18/176086718.db2.gz QAOGWYJVMSTONS-TZMCWYRMSA-N 0 0 231.339 3.514 10 0 BHAERN C[C@H]1CCCC[C@H]1N(C)c1ccccc1C=O ZINC000042608197 177087008 /nfs/dbraw/zinc/08/70/08/177087008.db2.gz QAOGWYJVMSTONS-GXTWGEPZSA-N 0 0 231.339 3.514 10 0 BHAERN C[C@@H]1CCCC[C@@H]1N(C)c1ccc(C=O)cc1 ZINC000042608198 176078804 /nfs/dbraw/zinc/07/88/04/176078804.db2.gz YFFQYRYPSMJZGD-DOMZBBRYSA-N 0 0 231.339 3.514 10 0 BHAERN C[C@H]1CCCC[C@@H]1N(C)c1ccc(C=O)cc1 ZINC000042608199 177081626 /nfs/dbraw/zinc/08/16/26/177081626.db2.gz YFFQYRYPSMJZGD-WFASDCNBSA-N 0 0 231.339 3.514 10 0 BHAERN C[C@@H]1CCCC[C@H]1N(C)c1ccc(C=O)cc1 ZINC000042608200 176087029 /nfs/dbraw/zinc/08/70/29/176087029.db2.gz YFFQYRYPSMJZGD-IUODEOHRSA-N 0 0 231.339 3.514 10 0 BHAERN C[C@H]1CCCC[C@H]1N(C)c1ccc(C=O)cc1 ZINC000042608201 177087078 /nfs/dbraw/zinc/08/70/78/177087078.db2.gz YFFQYRYPSMJZGD-SWLSCSKDSA-N 0 0 231.339 3.514 10 0 BHAERN C[C@@H]1CCCC[C@@H]1N(C)c1ccc(C=O)cc1F ZINC000042608202 176078936 /nfs/dbraw/zinc/07/89/36/176078936.db2.gz XNKPNNYZFSKLJX-RISCZKNCSA-N 0 0 249.329 3.653 10 0 BHAERN C[C@H]1CCCC[C@@H]1N(C)c1ccc(C=O)cc1F ZINC000042608203 177081616 /nfs/dbraw/zinc/08/16/16/177081616.db2.gz XNKPNNYZFSKLJX-FZMZJTMJSA-N 0 0 249.329 3.653 10 0 BHAERN C[C@@H]1CCCC[C@H]1N(C)c1ccc(C=O)cc1F ZINC000042608204 176086825 /nfs/dbraw/zinc/08/68/25/176086825.db2.gz XNKPNNYZFSKLJX-BXUZGUMPSA-N 0 0 249.329 3.653 10 0 BHAERN C[C@H]1CCCC[C@H]1N(C)c1ccc(C=O)cc1F ZINC000042608205 177086940 /nfs/dbraw/zinc/08/69/40/177086940.db2.gz XNKPNNYZFSKLJX-SMDDNHRTSA-N 0 0 249.329 3.653 10 0 BHAERN C[C@@H]1CCCC[C@@H]1N(C)c1ccc(F)cc1C=O ZINC000042608216 176079334 /nfs/dbraw/zinc/07/93/34/176079334.db2.gz LNENEKKMTWVOGT-RISCZKNCSA-N 0 0 249.329 3.653 10 0 BHAERN C[C@H]1CCCC[C@@H]1N(C)c1ccc(F)cc1C=O ZINC000042608217 177081684 /nfs/dbraw/zinc/08/16/84/177081684.db2.gz LNENEKKMTWVOGT-FZMZJTMJSA-N 0 0 249.329 3.653 10 0 BHAERN C[C@@H]1CCCC[C@H]1N(C)c1ccc(F)cc1C=O ZINC000042608218 176086974 /nfs/dbraw/zinc/08/69/74/176086974.db2.gz LNENEKKMTWVOGT-BXUZGUMPSA-N 0 0 249.329 3.653 10 0 BHAERN C[C@H]1CCCC[C@H]1N(C)c1ccc(F)cc1C=O ZINC000042608219 177087075 /nfs/dbraw/zinc/08/70/75/177087075.db2.gz LNENEKKMTWVOGT-SMDDNHRTSA-N 0 0 249.329 3.653 10 0 BHAERN C[C@@H](O)c1ccc(N(C)[C@H]2CCCC[C@@H]2C)cc1 ZINC000042608612 177081687 /nfs/dbraw/zinc/08/16/87/177081687.db2.gz PFKCUQDXZXTDKR-ZENOOKHLSA-N 0 0 247.382 3.755 10 0 BHAERN C[C@@H](O)c1ccc(N(C)[C@@H]2CCCC[C@@H]2C)cc1 ZINC000042608614 177087560 /nfs/dbraw/zinc/08/75/60/177087560.db2.gz PFKCUQDXZXTDKR-WOSRLPQWSA-N 0 0 247.382 3.755 10 0 BHAERN C[C@@H](O)c1ccccc1N(C)[C@H]1CCCC[C@H]1C ZINC000042608619 176000178 /nfs/dbraw/zinc/00/01/78/176000178.db2.gz JZFBUVCFOXZHBD-NFAWXSAZSA-N 0 0 247.382 3.755 10 0 BHAERN C[C@@H](O)c1ccccc1N(C)[C@H]1CCCC[C@@H]1C ZINC000042608620 177081737 /nfs/dbraw/zinc/08/17/37/177081737.db2.gz JZFBUVCFOXZHBD-GUTXKFCHSA-N 0 0 247.382 3.755 10 0 BHAERN C[C@@H](O)c1ccccc1N(C)[C@@H]1CCCC[C@@H]1C ZINC000042608622 177087292 /nfs/dbraw/zinc/08/72/92/177087292.db2.gz JZFBUVCFOXZHBD-GZBFAFLISA-N 0 0 247.382 3.755 10 0 BHAERN Cc1ccsc1C(=O)C1CCCCC1 ZINC000042728535 374283971 /nfs/dbraw/zinc/28/39/71/374283971.db2.gz BHIWAZLLQKTARA-UHFFFAOYSA-N 0 0 208.326 3.820 10 0 BHAERN Cc1ccsc1C(=O)CC1CCCC1 ZINC000042728545 374283611 /nfs/dbraw/zinc/28/36/11/374283611.db2.gz OMTGYXRYWCOKDQ-UHFFFAOYSA-N 0 0 208.326 3.820 10 0 BHAERN Cc1ccsc1C(=O)c1cccc(C)c1 ZINC000042728560 374283307 /nfs/dbraw/zinc/28/33/07/374283307.db2.gz QMCAVTCJRSKHOQ-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN Cc1ccsc1[C@H](O)C1CCCCC1 ZINC000042731206 374285869 /nfs/dbraw/zinc/28/58/69/374285869.db2.gz FGLVZJZRJMNHNS-LLVKDONJSA-N 0 0 210.342 3.670 10 0 BHAERN Cc1ccsc1[C@@H](O)C1CCCCC1 ZINC000042731209 374285995 /nfs/dbraw/zinc/28/59/95/374285995.db2.gz FGLVZJZRJMNHNS-NSHDSACASA-N 0 0 210.342 3.670 10 0 BHAERN Cc1ccsc1-c1cc(N)ccc1C ZINC000042735960 362021818 /nfs/dbraw/zinc/02/18/18/362021818.db2.gz CXWVARKMCKUWEE-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccsc1-c1ccc(Cl)cc1N ZINC000042735971 362022029 /nfs/dbraw/zinc/02/20/29/362022029.db2.gz MPGFQQYLDJCNLS-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Cc1ccsc1-c1ccc(C)c(N)c1 ZINC000042735974 362021791 /nfs/dbraw/zinc/02/17/91/362021791.db2.gz NZSXDFMOYNJAFB-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccsc1-c1cc(Cl)ccc1N ZINC000042735977 362021984 /nfs/dbraw/zinc/02/19/84/362021984.db2.gz AREWGZZVFIIGGE-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Cc1ccsc1-c1cccc(N)c1C ZINC000042735989 362021529 /nfs/dbraw/zinc/02/15/29/362021529.db2.gz WNCVMGXIBFVBHV-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccsc1-c1ccc(Cl)c(N)c1 ZINC000042736034 362021700 /nfs/dbraw/zinc/02/17/00/362021700.db2.gz GRKJODIBEFMWDO-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN CC(=O)c1ccccc1N(C)[C@@H](C)C(C)(C)C ZINC000042768136 166481346 /nfs/dbraw/zinc/48/13/46/166481346.db2.gz UNZXQNNCBWZXHG-LBPRGKRZSA-N 0 0 233.355 3.760 10 0 BHAERN CC(=O)c1ccccc1N(C)[C@H](C)C(C)(C)C ZINC000042768139 166482368 /nfs/dbraw/zinc/48/23/68/166482368.db2.gz UNZXQNNCBWZXHG-GFCCVEGCSA-N 0 0 233.355 3.760 10 0 BHAERN C[C@H](O)c1ccc(N(C)[C@@H](C)C(C)(C)C)cc1 ZINC000042772270 177017320 /nfs/dbraw/zinc/01/73/20/177017320.db2.gz YJFPXARMQAPOMM-RYUDHWBXSA-N 0 0 235.371 3.611 10 0 BHAERN C[C@H](O)c1ccccc1N(C)[C@@H](C)C(C)(C)C ZINC000042772286 177018041 /nfs/dbraw/zinc/01/80/41/177018041.db2.gz BIIZKVURULWGCB-RYUDHWBXSA-N 0 0 235.371 3.611 10 0 BHAERN C[C@@H]1CCCC[C@@H]1CNc1ccc(F)cc1N ZINC000042859922 176077444 /nfs/dbraw/zinc/07/74/44/176077444.db2.gz KWBGTUFZXSYWHE-GHMZBOCLSA-N 0 0 236.334 3.646 10 0 BHAERN C[C@H]1CCCC[C@@H]1CNc1ccc(F)cc1N ZINC000042859924 177080695 /nfs/dbraw/zinc/08/06/95/177080695.db2.gz KWBGTUFZXSYWHE-WDEREUQCSA-N 0 0 236.334 3.646 10 0 BHAERN C[C@@H]1CCCC[C@H]1CNc1ccc(F)cc1N ZINC000042859926 176085150 /nfs/dbraw/zinc/08/51/50/176085150.db2.gz KWBGTUFZXSYWHE-MNOVXSKESA-N 0 0 236.334 3.646 10 0 BHAERN C[C@H]1CCCC[C@H]1CNc1ccc(F)cc1N ZINC000042859927 177086375 /nfs/dbraw/zinc/08/63/75/177086375.db2.gz KWBGTUFZXSYWHE-QWRGUYRKSA-N 0 0 236.334 3.646 10 0 BHAERN C[C@@H]1CCCC[C@@H]1CNc1ccc(N)cc1F ZINC000042859957 176077901 /nfs/dbraw/zinc/07/79/01/176077901.db2.gz ZPGCUOUQRWQIPA-GHMZBOCLSA-N 0 0 236.334 3.646 10 0 BHAERN C[C@@H]1CCCC[C@H]1CNc1ccc(N)cc1F ZINC000042859961 176085480 /nfs/dbraw/zinc/08/54/80/176085480.db2.gz ZPGCUOUQRWQIPA-MNOVXSKESA-N 0 0 236.334 3.646 10 0 BHAERN Cc1cc(N)ccc1NC[C@@H]1CCCC[C@@H]1C ZINC000042859978 178107032 /nfs/dbraw/zinc/10/70/32/178107032.db2.gz NUUKQIGYNFBRIZ-AAEUAGOBSA-N 0 0 232.371 3.815 10 0 BHAERN Cc1cc(N)ccc1NC[C@H]1CCCC[C@@H]1C ZINC000042859980 178106963 /nfs/dbraw/zinc/10/69/63/178106963.db2.gz NUUKQIGYNFBRIZ-WCQYABFASA-N 0 0 232.371 3.815 10 0 BHAERN Cc1cc(N)ccc1NC[C@@H]1CCCC[C@H]1C ZINC000042859982 178106712 /nfs/dbraw/zinc/10/67/12/178106712.db2.gz NUUKQIGYNFBRIZ-YPMHNXCESA-N 0 0 232.371 3.815 10 0 BHAERN Cc1cc(N)ccc1NC[C@H]1CCCC[C@H]1C ZINC000042859984 178107078 /nfs/dbraw/zinc/10/70/78/178107078.db2.gz NUUKQIGYNFBRIZ-DGCLKSJQSA-N 0 0 232.371 3.815 10 0 BHAERN C[C@@H]1CCCC[C@@H]1CNc1cccc(F)c1N ZINC000042860121 176078189 /nfs/dbraw/zinc/07/81/89/176078189.db2.gz IRJIVOUCMPWERH-GHMZBOCLSA-N 0 0 236.334 3.646 10 0 BHAERN C[C@H]1CCCC[C@@H]1CNc1cccc(F)c1N ZINC000042860123 177080311 /nfs/dbraw/zinc/08/03/11/177080311.db2.gz IRJIVOUCMPWERH-WDEREUQCSA-N 0 0 236.334 3.646 10 0 BHAERN C[C@@H]1CCCC[C@H]1CNc1cccc(F)c1N ZINC000042860125 176085964 /nfs/dbraw/zinc/08/59/64/176085964.db2.gz IRJIVOUCMPWERH-MNOVXSKESA-N 0 0 236.334 3.646 10 0 BHAERN C[C@H]1CCCC[C@H]1CNc1cccc(F)c1N ZINC000042860127 177085900 /nfs/dbraw/zinc/08/59/00/177085900.db2.gz IRJIVOUCMPWERH-QWRGUYRKSA-N 0 0 236.334 3.646 10 0 BHAERN C[C@@H]1CCCC[C@@H]1CNc1cc(N)cc(F)c1 ZINC000042860129 176078005 /nfs/dbraw/zinc/07/80/05/176078005.db2.gz OPEWAFHNXPEANW-GHMZBOCLSA-N 0 0 236.334 3.646 10 0 BHAERN C[C@H]1CCCC[C@@H]1CNc1cc(N)cc(F)c1 ZINC000042860131 177080441 /nfs/dbraw/zinc/08/04/41/177080441.db2.gz OPEWAFHNXPEANW-WDEREUQCSA-N 0 0 236.334 3.646 10 0 BHAERN C[C@@H]1CCCC[C@H]1CNc1cc(N)cc(F)c1 ZINC000042860133 176085300 /nfs/dbraw/zinc/08/53/00/176085300.db2.gz OPEWAFHNXPEANW-MNOVXSKESA-N 0 0 236.334 3.646 10 0 BHAERN C[C@H]1CCCC[C@H]1CNc1cc(N)cc(F)c1 ZINC000042860135 177086144 /nfs/dbraw/zinc/08/61/44/177086144.db2.gz OPEWAFHNXPEANW-QWRGUYRKSA-N 0 0 236.334 3.646 10 0 BHAERN Cc1cc(C=O)c(C)n1C[C@@H]1CCCC[C@@H]1C ZINC000042864119 177951806 /nfs/dbraw/zinc/95/18/06/177951806.db2.gz KPKLJKHFZMYUOO-FZMZJTMJSA-N 0 0 233.355 3.744 10 0 BHAERN Cc1cc(C=O)c(C)n1C[C@H]1CCCC[C@H]1C ZINC000042864128 177951676 /nfs/dbraw/zinc/95/16/76/177951676.db2.gz KPKLJKHFZMYUOO-BXUZGUMPSA-N 0 0 233.355 3.744 10 0 BHAERN O=[N+]([O-])/C=C/c1ccc(SC(F)(F)F)cc1 ZINC000042905127 343458323 /nfs/dbraw/zinc/45/83/23/343458323.db2.gz BGMXZKGFLPOROA-AATRIKPKSA-N 0 0 249.213 3.546 10 0 BHAERN C/C(=C\c1ccc(-c2ccccc2)cc1)[N+](=O)[O-] ZINC000042905477 517306788 /nfs/dbraw/zinc/30/67/88/517306788.db2.gz VPCICVXPWCLXPG-VAWYXSNFSA-N 0 0 239.274 3.991 10 0 BHAERN CC/C(=C\c1cccc2ccccc12)[N+](=O)[O-] ZINC000042905891 167819288 /nfs/dbraw/zinc/81/92/88/167819288.db2.gz BBFTVMLDUNTZNC-JLHYYAGUSA-N 0 0 227.263 3.867 10 0 BHAERN CC/C(=C\c1ccccc1OC(C)C)[N+](=O)[O-] ZINC000042906085 167819247 /nfs/dbraw/zinc/81/92/47/167819247.db2.gz LECISZXXHCJZIQ-FMIVXFBMSA-N 0 0 235.283 3.501 10 0 BHAERN CCCCOc1ccc(/C=C(/CC)[N+](=O)[O-])cc1 ZINC000042906096 168916410 /nfs/dbraw/zinc/91/64/10/168916410.db2.gz NOZFBPQKCRTAQX-QBFSEMIESA-N 0 0 249.310 3.893 10 0 BHAERN CCCOc1ccc(/C=C(/CC)[N+](=O)[O-])cc1 ZINC000042906104 169316302 /nfs/dbraw/zinc/31/63/02/169316302.db2.gz QGPLEIPTHWXPTL-BENRWUELSA-N 0 0 235.283 3.503 10 0 BHAERN Oc1ccc(/C=C/c2cc(F)cc(F)c2)cc1 ZINC000042920133 183265745 /nfs/dbraw/zinc/26/57/45/183265745.db2.gz WPKUVKLNUGQNFZ-OWOJBTEDSA-N 0 0 232.229 3.841 10 0 BHAERN CC(C)(C)Cc1cc2c(nn1)CCCCCC2 ZINC000043177796 358368128 /nfs/dbraw/zinc/36/81/28/358368128.db2.gz BVZBNUJPVJFBIQ-UHFFFAOYSA-N 0 0 232.371 3.724 10 0 BHAERN O=C1CSC(c2ccc(C(F)(F)F)cc2)=N1 ZINC000043179093 183305748 /nfs/dbraw/zinc/30/57/48/183305748.db2.gz NHUYZCQXTFLLAI-UHFFFAOYSA-N 0 0 245.225 3.535 10 0 BHAERN Cc1c2[nH]ccc2c(Br)cc1Cl ZINC000043220682 342791193 /nfs/dbraw/zinc/79/11/93/342791193.db2.gz PQWHJIZXLSZLTC-UHFFFAOYSA-N 0 0 244.519 3.892 10 0 BHAERN Cc1nc2ccccc2n1Cc1cccc(F)c1 ZINC000043255798 180103900 /nfs/dbraw/zinc/10/39/00/180103900.db2.gz ZESAGRMBBBCSRR-UHFFFAOYSA-N 0 0 240.281 3.532 10 0 BHAERN Cc1cccc(CNc2cccnc2Cl)c1C ZINC000043313845 179102912 /nfs/dbraw/zinc/10/29/12/179102912.db2.gz HQTBOJZNDIYRGN-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN COc1ccc(Cl)c(NCCC(C)C)c1 ZINC000043316403 175118497 /nfs/dbraw/zinc/11/84/97/175118497.db2.gz FKMNJPSMSRVTQC-UHFFFAOYSA-N 0 0 227.735 3.807 10 0 BHAERN Cc1c(F)cccc1N[C@@H](C)CC(C)C ZINC000043319472 322839618 /nfs/dbraw/zinc/83/96/18/322839618.db2.gz NJMLTQABXWWPCZ-JTQLQIEISA-N 0 0 209.308 3.981 10 0 BHAERN Cc1c(F)cccc1N[C@H](C)CC(C)C ZINC000043319474 384646223 /nfs/dbraw/zinc/64/62/23/384646223.db2.gz NJMLTQABXWWPCZ-SNVBAGLBSA-N 0 0 209.308 3.981 10 0 BHAERN Cc1cc(Cl)c2ccc(F)c(C)c2n1 ZINC000043321834 178062621 /nfs/dbraw/zinc/06/26/21/178062621.db2.gz MDSKYZDXYMQICT-UHFFFAOYSA-N 0 0 209.651 3.644 10 0 BHAERN O[C@@H](c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000043367983 343057507 /nfs/dbraw/zinc/05/75/07/343057507.db2.gz FVZBLVDDXUDKQX-ZETCQYMHSA-N 0 0 245.027 3.589 10 0 BHAERN O[C@H](c1cc(Cl)cc(Cl)c1)C(F)(F)F ZINC000043367984 343057415 /nfs/dbraw/zinc/05/74/15/343057415.db2.gz FVZBLVDDXUDKQX-SSDOTTSWSA-N 0 0 245.027 3.589 10 0 BHAERN CC(C)Cc1c(N)onc1C1CCCCC1 ZINC000043375945 188295763 /nfs/dbraw/zinc/29/57/63/188295763.db2.gz KGHGWOMRSLEGOP-UHFFFAOYSA-N 0 0 222.332 3.503 10 0 BHAERN Cc1cc(C)cc(CNc2cccc(O)c2)c1 ZINC000043392700 177901612 /nfs/dbraw/zinc/90/16/12/177901612.db2.gz OFFAQWUARZQJRJ-UHFFFAOYSA-N 0 0 227.307 3.621 10 0 BHAERN Cc1cc(C)cc(CNc2cccnc2Cl)c1 ZINC000043392906 177902385 /nfs/dbraw/zinc/90/23/85/177902385.db2.gz VSRMRLKYJGWQCQ-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN Cc1cccc(C(=O)Cc2cc(F)ccc2F)c1 ZINC000043459373 358376756 /nfs/dbraw/zinc/37/67/56/358376756.db2.gz BPQZKEYSESNATR-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN Nc1ccc2c(c1)Cc1cc(C(F)(F)F)ccc1-2 ZINC000043463412 343077463 /nfs/dbraw/zinc/07/74/63/343077463.db2.gz ROWDOGYOQITYBB-UHFFFAOYSA-N 0 0 249.235 3.859 10 0 BHAERN FC(F)(F)c1cc(-c2cccc(Cl)c2)n[nH]1 ZINC000043463626 358376679 /nfs/dbraw/zinc/37/66/79/358376679.db2.gz TWUOPOKOMYCMSV-UHFFFAOYSA-N 0 0 246.619 3.749 10 0 BHAERN CC(C)(C)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000043463646 188121242 /nfs/dbraw/zinc/12/12/42/188121242.db2.gz CYMDYOTYZGUNSG-SSDOTTSWSA-N 0 0 246.276 3.580 10 0 BHAERN CC(C)(C)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000043463647 384830304 /nfs/dbraw/zinc/83/03/04/384830304.db2.gz CYMDYOTYZGUNSG-ZETCQYMHSA-N 0 0 246.276 3.580 10 0 BHAERN CC(C)[C@@H](C)NC(=O)Nc1ccccc1Cl ZINC000043465633 167376709 /nfs/dbraw/zinc/37/67/09/167376709.db2.gz DECXWIKZOMKUMB-SECBINFHSA-N 0 0 240.734 3.506 10 0 BHAERN CC(C)[C@H](C)NC(=O)Nc1ccccc1Cl ZINC000043465634 187267455 /nfs/dbraw/zinc/26/74/55/187267455.db2.gz DECXWIKZOMKUMB-VIFPVBQESA-N 0 0 240.734 3.506 10 0 BHAERN Nc1ccc(-c2ccc(Cl)s2)c(F)c1 ZINC000043474380 343087242 /nfs/dbraw/zinc/08/72/42/343087242.db2.gz HXZXKJKUQMKWLU-UHFFFAOYSA-N 0 0 227.691 3.790 10 0 BHAERN O=Cc1ccc(OC2CCCCC2)c(Cl)c1 ZINC000043489064 358376718 /nfs/dbraw/zinc/37/67/18/358376718.db2.gz ZIDFHJRXDALDKC-UHFFFAOYSA-N 0 0 238.714 3.864 10 0 BHAERN CC(=O)c1ccccc1C1CCCCC1 ZINC000043501988 342795791 /nfs/dbraw/zinc/79/57/91/342795791.db2.gz VFHHFAUHMBYDTH-UHFFFAOYSA-N 0 0 202.297 3.937 10 0 BHAERN CC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000043502073 259412180 /nfs/dbraw/zinc/41/21/80/259412180.db2.gz MYLDWXYQFICXKK-AKJUYKBHSA-N 0 0 206.329 3.572 10 0 BHAERN CC(=O)c1cccc(Oc2ccc(F)cc2)c1 ZINC000043502111 343098008 /nfs/dbraw/zinc/09/80/08/343098008.db2.gz HGDKWIYWJBWOAK-UHFFFAOYSA-N 0 0 230.238 3.821 10 0 BHAERN CC(=O)c1ccc(-c2ccccc2)c(C)c1 ZINC000043502118 343097982 /nfs/dbraw/zinc/09/79/82/343097982.db2.gz AYMZGPJUPSMXIN-UHFFFAOYSA-N 0 0 210.276 3.865 10 0 BHAERN CCOC(OCC)c1ccc(F)c(Cl)c1 ZINC000043502654 343098337 /nfs/dbraw/zinc/09/83/37/343098337.db2.gz IFCAPIYOLAYQBS-UHFFFAOYSA-N 0 0 232.682 3.551 10 0 BHAERN CCOC(OCC)c1cc(F)cc(Cl)c1 ZINC000043502656 343098526 /nfs/dbraw/zinc/09/85/26/343098526.db2.gz MOOVJAMTPLETIW-UHFFFAOYSA-N 0 0 232.682 3.551 10 0 BHAERN CCOC(OCC)c1ccc(Cl)c(F)c1 ZINC000043502658 343098490 /nfs/dbraw/zinc/09/84/90/343098490.db2.gz CDRSVQJERYCMLO-UHFFFAOYSA-N 0 0 232.682 3.551 10 0 BHAERN CCOC(Cc1ccc(C)c(Cl)c1)OCC ZINC000043502669 364739089 /nfs/dbraw/zinc/73/90/89/364739089.db2.gz FZTDRFDZKORQNO-UHFFFAOYSA-N 0 0 242.746 3.590 10 0 BHAERN CCOC(OCC)c1cccc(Cl)c1C ZINC000043502671 343098379 /nfs/dbraw/zinc/09/83/79/343098379.db2.gz QJJIFOFLDFFYMV-UHFFFAOYSA-N 0 0 228.719 3.720 10 0 BHAERN CCOC(OCC)c1ccc(C)c(Cl)c1 ZINC000043502672 343098342 /nfs/dbraw/zinc/09/83/42/343098342.db2.gz LZXVQUVXODPQAY-UHFFFAOYSA-N 0 0 228.719 3.720 10 0 BHAERN CCOC(OCC)c1cc(C)cc(Cl)c1 ZINC000043502674 343098428 /nfs/dbraw/zinc/09/84/28/343098428.db2.gz KSWCLNIZCLVPSO-UHFFFAOYSA-N 0 0 228.719 3.720 10 0 BHAERN CCOC(OCC)c1ccc(Cl)cc1C ZINC000043502676 343098344 /nfs/dbraw/zinc/09/83/44/343098344.db2.gz AGLSOUPFNFJZJL-UHFFFAOYSA-N 0 0 228.719 3.720 10 0 BHAERN CCOC(OCC)c1ccc(Cl)c(C)c1 ZINC000043502678 344523615 /nfs/dbraw/zinc/52/36/15/344523615.db2.gz TWAPMASSMKHOOP-UHFFFAOYSA-N 0 0 228.719 3.720 10 0 BHAERN CCOC(OCC)c1cc(Cl)ccc1C ZINC000043502680 343098287 /nfs/dbraw/zinc/09/82/87/343098287.db2.gz UCESBDUETWCTPH-UHFFFAOYSA-N 0 0 228.719 3.720 10 0 BHAERN CCOC(CCc1ccccc1Cl)OCC ZINC000043502683 343098496 /nfs/dbraw/zinc/09/84/96/343098496.db2.gz PQQHVVLOCCJNOI-UHFFFAOYSA-N 0 0 242.746 3.672 10 0 BHAERN CCOC(CCc1cccc(Cl)c1)OCC ZINC000043502685 343098446 /nfs/dbraw/zinc/09/84/46/343098446.db2.gz ZPUGACTYUSZPBK-UHFFFAOYSA-N 0 0 242.746 3.672 10 0 BHAERN CCOC(CCc1ccc(Cl)cc1)OCC ZINC000043502687 343098321 /nfs/dbraw/zinc/09/83/21/343098321.db2.gz ZYYGWGMWNXIQKF-UHFFFAOYSA-N 0 0 242.746 3.672 10 0 BHAERN CCOC(OCC)C1CCCCCCC1 ZINC000043502813 343098529 /nfs/dbraw/zinc/09/85/29/343098529.db2.gz BVLFDLZLAUHZDF-UHFFFAOYSA-N 0 0 214.349 3.746 10 0 BHAERN CCOC(OCC)c1c(CC)cccc1CC ZINC000043502837 364742873 /nfs/dbraw/zinc/74/28/73/364742873.db2.gz ZLBDXKSFZQOOHK-UHFFFAOYSA-N 0 0 236.355 3.883 10 0 BHAERN CCOC(OCC)c1cc(CC)cc(CC)c1 ZINC000043502839 343098387 /nfs/dbraw/zinc/09/83/87/343098387.db2.gz WJQVGDCGOTWHFX-UHFFFAOYSA-N 0 0 236.355 3.883 10 0 BHAERN CCOC(OCC)c1cc(C)c(F)c(C)c1 ZINC000043502928 343476506 /nfs/dbraw/zinc/47/65/06/343476506.db2.gz NNMPPRPBQUFYMQ-UHFFFAOYSA-N 0 0 226.291 3.514 10 0 BHAERN CCOC(OCC)C(C)(C)CCC(C)C ZINC000043502930 343098822 /nfs/dbraw/zinc/09/88/22/343098822.db2.gz KAYUDVXRRSFGSC-UHFFFAOYSA-N 0 0 216.365 3.848 10 0 BHAERN CCOC(CC(C)(C)c1ccccc1)OCC ZINC000043502940 343098907 /nfs/dbraw/zinc/09/89/07/343098907.db2.gz IGMGOHDKSAZPBC-UHFFFAOYSA-N 0 0 236.355 3.753 10 0 BHAERN CCCC[C@@H](CC)CC(OCC)OCC ZINC000043502986 343098871 /nfs/dbraw/zinc/09/88/71/343098871.db2.gz YRMCKYMOODRFAU-GFCCVEGCSA-N 0 0 216.365 3.992 10 0 BHAERN CCCC[C@H](CC)CC(OCC)OCC ZINC000043502988 343098913 /nfs/dbraw/zinc/09/89/13/343098913.db2.gz YRMCKYMOODRFAU-LBPRGKRZSA-N 0 0 216.365 3.992 10 0 BHAERN CCOC(OCC)c1ccc(SCC)cc1 ZINC000043502993 343099058 /nfs/dbraw/zinc/09/90/58/343099058.db2.gz RHXXXCYWMBJAPQ-UHFFFAOYSA-N 0 0 240.368 3.870 10 0 BHAERN CCCCC[C@@H](C)C(OCC)OCC ZINC000043503051 343098854 /nfs/dbraw/zinc/09/88/54/343098854.db2.gz JWNOYXUQYOUAIR-LLVKDONJSA-N 0 0 202.338 3.602 10 0 BHAERN CCCCC[C@H](C)C(OCC)OCC ZINC000043503053 343098836 /nfs/dbraw/zinc/09/88/36/343098836.db2.gz JWNOYXUQYOUAIR-NSHDSACASA-N 0 0 202.338 3.602 10 0 BHAERN CCOC(OCC)c1ccc(CC(C)C)cc1 ZINC000043503069 364743031 /nfs/dbraw/zinc/74/30/31/364743031.db2.gz CKJBELKUWLQBAX-UHFFFAOYSA-N 0 0 236.355 3.957 10 0 BHAERN CCOC(OCC)c1cccc(OC(C)C)c1 ZINC000043503071 364743259 /nfs/dbraw/zinc/74/32/59/364743259.db2.gz OMFFRMYZZUPSEL-UHFFFAOYSA-N 0 0 238.327 3.545 10 0 BHAERN CCOC(OCC)c1ccccc1C(C)C ZINC000043503073 343098957 /nfs/dbraw/zinc/09/89/57/343098957.db2.gz INRODAWZTRKLOS-UHFFFAOYSA-N 0 0 222.328 3.882 10 0 BHAERN CCOC(OCC)c1cccc(C(C)C)c1 ZINC000043503075 364742879 /nfs/dbraw/zinc/74/28/79/364742879.db2.gz QXNYBYQPXKWUDH-UHFFFAOYSA-N 0 0 222.328 3.882 10 0 BHAERN CCCCC[C@@H](C)CC(OCC)OCC ZINC000043503145 343098900 /nfs/dbraw/zinc/09/89/00/343098900.db2.gz JBHKPMUANHDQDS-GFCCVEGCSA-N 0 0 216.365 3.992 10 0 BHAERN CCCCC[C@H](C)CC(OCC)OCC ZINC000043503147 343098905 /nfs/dbraw/zinc/09/89/05/343098905.db2.gz JBHKPMUANHDQDS-LBPRGKRZSA-N 0 0 216.365 3.992 10 0 BHAERN CCCCC(C)(C)C(OCC)OCC ZINC000043503149 344523989 /nfs/dbraw/zinc/52/39/89/344523989.db2.gz KDRPYCMFPNJURI-UHFFFAOYSA-N 0 0 202.338 3.602 10 0 BHAERN CCC[C@@](C)(CC)C(OCC)OCC ZINC000043503151 343098823 /nfs/dbraw/zinc/09/88/23/343098823.db2.gz PIWHDOQGZSYZIB-GFCCVEGCSA-N 0 0 202.338 3.602 10 0 BHAERN CCC[C@](C)(CC)C(OCC)OCC ZINC000043503153 343098996 /nfs/dbraw/zinc/09/89/96/343098996.db2.gz PIWHDOQGZSYZIB-LBPRGKRZSA-N 0 0 202.338 3.602 10 0 BHAERN CCOC(C[C@@H](C)c1ccccc1)OCC ZINC000043503181 343099015 /nfs/dbraw/zinc/09/90/15/343099015.db2.gz QOOVKEXMPVZVQB-GFCCVEGCSA-N 0 0 222.328 3.579 10 0 BHAERN CCOC(C[C@H](C)c1ccccc1)OCC ZINC000043503183 343098993 /nfs/dbraw/zinc/09/89/93/343098993.db2.gz QOOVKEXMPVZVQB-LBPRGKRZSA-N 0 0 222.328 3.579 10 0 BHAERN CCOC(OCC)c1ccc2nc(C)ccc2c1 ZINC000043503214 364743217 /nfs/dbraw/zinc/74/32/17/364743217.db2.gz KUDZTYPBJUQIDM-UHFFFAOYSA-N 0 0 245.322 3.615 10 0 BHAERN CCOC(OCC)c1cccc2ccccc21 ZINC000043503236 368332556 /nfs/dbraw/zinc/33/25/56/368332556.db2.gz HQSSWWSXESJDTH-UHFFFAOYSA-N 0 0 230.307 3.911 10 0 BHAERN CCOC(OCC)c1ccc2ccccc2c1 ZINC000043503238 364743101 /nfs/dbraw/zinc/74/31/01/364743101.db2.gz BEBGEFYNZDEWLP-UHFFFAOYSA-N 0 0 230.307 3.911 10 0 BHAERN CCOC(Cc1cccc2ccccc21)OCC ZINC000043503240 343099285 /nfs/dbraw/zinc/09/92/85/343099285.db2.gz NCPFASHJFPXPLQ-UHFFFAOYSA-N 0 0 244.334 3.781 10 0 BHAERN CCOC(Cc1ccc2ccccc2c1)OCC ZINC000043503243 343099267 /nfs/dbraw/zinc/09/92/67/343099267.db2.gz SVLQCSDQMAARKG-UHFFFAOYSA-N 0 0 244.334 3.781 10 0 BHAERN CCCCCC[C@@H](C)C(OCC)OCC ZINC000043503255 344523908 /nfs/dbraw/zinc/52/39/08/344523908.db2.gz DPSGCOMHEPNQMX-GFCCVEGCSA-N 0 0 216.365 3.992 10 0 BHAERN CCCCCC[C@H](C)C(OCC)OCC ZINC000043503258 343099454 /nfs/dbraw/zinc/09/94/54/343099454.db2.gz DPSGCOMHEPNQMX-LBPRGKRZSA-N 0 0 216.365 3.992 10 0 BHAERN CCCCC[C@@H](CC)C(OCC)OCC ZINC000043503259 343099378 /nfs/dbraw/zinc/09/93/78/343099378.db2.gz OOJPZSIEKGDDLP-GFCCVEGCSA-N 0 0 216.365 3.992 10 0 BHAERN CCCCC[C@H](CC)C(OCC)OCC ZINC000043503261 343099584 /nfs/dbraw/zinc/09/95/84/343099584.db2.gz OOJPZSIEKGDDLP-LBPRGKRZSA-N 0 0 216.365 3.992 10 0 BHAERN CCCC[C@@H](CCC)C(OCC)OCC ZINC000043503263 343099357 /nfs/dbraw/zinc/09/93/57/343099357.db2.gz UNEFMNFPDQDEIH-GFCCVEGCSA-N 0 0 216.365 3.992 10 0 BHAERN CCCC[C@H](CCC)C(OCC)OCC ZINC000043503265 343099276 /nfs/dbraw/zinc/09/92/76/343099276.db2.gz UNEFMNFPDQDEIH-LBPRGKRZSA-N 0 0 216.365 3.992 10 0 BHAERN CCOC(CCCCc1ccccc1)OCC ZINC000043503288 343099463 /nfs/dbraw/zinc/09/94/63/343099463.db2.gz UQEAFNWBDANKNI-UHFFFAOYSA-N 0 0 236.355 3.799 10 0 BHAERN CCCOc1ccc(C(OCC)OCC)cc1 ZINC000043503298 343099279 /nfs/dbraw/zinc/09/92/79/343099279.db2.gz NIQGBXCZZSURHK-UHFFFAOYSA-N 0 0 238.327 3.547 10 0 BHAERN CCOC(OCC)c1c(C)c(C)cc(C)c1C ZINC000043503352 343098081 /nfs/dbraw/zinc/09/80/81/343098081.db2.gz CEGIJJQOZGKRQH-UHFFFAOYSA-N 0 0 236.355 3.992 10 0 BHAERN CCOC(Cc1c(C)cc(C)cc1C)OCC ZINC000043503375 364742883 /nfs/dbraw/zinc/74/28/83/364742883.db2.gz ZRNAKHIVHATHHS-UHFFFAOYSA-N 0 0 236.355 3.553 10 0 BHAERN CCOC(OCC)c1cc(C)c(C)cc1C ZINC000043503381 343098011 /nfs/dbraw/zinc/09/80/11/343098011.db2.gz PPLWXUXOVYNQDG-UHFFFAOYSA-N 0 0 222.328 3.683 10 0 BHAERN CCOC(=O)c1ccccc1C1CCCCC1 ZINC000043503399 364742939 /nfs/dbraw/zinc/74/29/39/364742939.db2.gz VZKKNMIDRLSSDW-UHFFFAOYSA-N 0 0 232.323 3.911 10 0 BHAERN CCOC(=O)c1ccc(C2CCCCC2)cc1 ZINC000043503401 343098059 /nfs/dbraw/zinc/09/80/59/343098059.db2.gz RPHUBPFJBAIQJT-UHFFFAOYSA-N 0 0 232.323 3.911 10 0 BHAERN CCOC(=O)CC[C@@H](C)CCCC(C)C ZINC000043503528 344523774 /nfs/dbraw/zinc/52/37/74/344523774.db2.gz KFFHUJITLUMWNN-LBPRGKRZSA-N 0 0 214.349 3.792 10 0 BHAERN CCOC(=O)CC[C@H](C)CCCC(C)C ZINC000043503530 343100506 /nfs/dbraw/zinc/10/05/06/343100506.db2.gz KFFHUJITLUMWNN-GFCCVEGCSA-N 0 0 214.349 3.792 10 0 BHAERN CCCC[C@@H](CC)CCC(=O)OCC ZINC000043503546 343100296 /nfs/dbraw/zinc/10/02/96/343100296.db2.gz FRTQRKOOPHTYNM-LLVKDONJSA-N 0 0 200.322 3.546 10 0 BHAERN CCCC[C@H](CC)CCC(=O)OCC ZINC000043503548 343100498 /nfs/dbraw/zinc/10/04/98/343100498.db2.gz FRTQRKOOPHTYNM-NSHDSACASA-N 0 0 200.322 3.546 10 0 BHAERN CCOC(=O)c1ccc(-c2ccccc2)c(F)c1 ZINC000043503560 343100342 /nfs/dbraw/zinc/10/03/42/343100342.db2.gz BLBMMAQUEAJAAB-UHFFFAOYSA-N 0 0 244.265 3.669 10 0 BHAERN CCCCCCc1ccc(C(=O)OCC)cc1 ZINC000043503588 364743373 /nfs/dbraw/zinc/74/33/73/364743373.db2.gz GQRZXKALRVNWOI-UHFFFAOYSA-N 0 0 234.339 3.986 10 0 BHAERN CCOC(=O)c1ccc(-c2ccccc2)c(C)c1 ZINC000043503612 343100254 /nfs/dbraw/zinc/10/02/54/343100254.db2.gz ZWFXZZKQDIHAMI-UHFFFAOYSA-N 0 0 240.302 3.839 10 0 BHAERN CCOC(=O)c1cccc(-c2ccccc2)c1C ZINC000043503614 343100269 /nfs/dbraw/zinc/10/02/69/343100269.db2.gz QSLKPAYRVNKCFK-UHFFFAOYSA-N 0 0 240.302 3.839 10 0 BHAERN CCCC[C@@H](CC)CC(=O)C(OCC)OCC ZINC000043504001 343101079 /nfs/dbraw/zinc/10/10/79/343101079.db2.gz RISLEJVVBHKFPF-GFCCVEGCSA-N 0 0 244.375 3.561 10 0 BHAERN CCCC[C@H](CC)CC(=O)C(OCC)OCC ZINC000043504002 343101086 /nfs/dbraw/zinc/10/10/86/343101086.db2.gz RISLEJVVBHKFPF-LBPRGKRZSA-N 0 0 244.375 3.561 10 0 BHAERN CCCCC[C@@H](C)CC(=O)C(OCC)OCC ZINC000043504094 343100436 /nfs/dbraw/zinc/10/04/36/343100436.db2.gz KWWBKEOAYVZPEB-GFCCVEGCSA-N 0 0 244.375 3.561 10 0 BHAERN CCCCC[C@H](C)CC(=O)C(OCC)OCC ZINC000043504096 343100462 /nfs/dbraw/zinc/10/04/62/343100462.db2.gz KWWBKEOAYVZPEB-LBPRGKRZSA-N 0 0 244.375 3.561 10 0 BHAERN CCCCCC[C@@H](C)C(=O)C(OCC)OCC ZINC000043504169 343101125 /nfs/dbraw/zinc/10/11/25/343101125.db2.gz GFEWSNFIVHOVJQ-GFCCVEGCSA-N 0 0 244.375 3.561 10 0 BHAERN CCCCCC[C@H](C)C(=O)C(OCC)OCC ZINC000043504170 343101169 /nfs/dbraw/zinc/10/11/69/343101169.db2.gz GFEWSNFIVHOVJQ-LBPRGKRZSA-N 0 0 244.375 3.561 10 0 BHAERN CCCCC[C@@H](CC)C(=O)C(OCC)OCC ZINC000043504172 343101351 /nfs/dbraw/zinc/10/13/51/343101351.db2.gz QRUMIILRSIERRF-GFCCVEGCSA-N 0 0 244.375 3.561 10 0 BHAERN CCCCC[C@H](CC)C(=O)C(OCC)OCC ZINC000043504174 343101166 /nfs/dbraw/zinc/10/11/66/343101166.db2.gz QRUMIILRSIERRF-LBPRGKRZSA-N 0 0 244.375 3.561 10 0 BHAERN CCCC[C@@H](CCC)C(=O)C(OCC)OCC ZINC000043504175 343101103 /nfs/dbraw/zinc/10/11/03/343101103.db2.gz CGRSIVMSBFBOBO-GFCCVEGCSA-N 0 0 244.375 3.561 10 0 BHAERN CCCC[C@H](CCC)C(=O)C(OCC)OCC ZINC000043504177 364745354 /nfs/dbraw/zinc/74/53/54/364745354.db2.gz CGRSIVMSBFBOBO-LBPRGKRZSA-N 0 0 244.375 3.561 10 0 BHAERN COCC(=O)c1ccccc1C1CCCCC1 ZINC000043504762 343101716 /nfs/dbraw/zinc/10/17/16/343101716.db2.gz NUCTVUGIDWUPSE-UHFFFAOYSA-N 0 0 232.323 3.563 10 0 BHAERN COCC(=O)c1ccc(C2CCCCC2)cc1 ZINC000043504763 343101467 /nfs/dbraw/zinc/10/14/67/343101467.db2.gz PSGWSNIKYIZCTO-UHFFFAOYSA-N 0 0 232.323 3.563 10 0 BHAERN CC(C)(C)Oc1ccc(C(=O)C(F)(F)F)cc1 ZINC000043505029 166686305 /nfs/dbraw/zinc/68/63/05/166686305.db2.gz DIYZRVWJHAAYNU-UHFFFAOYSA-N 0 0 246.228 3.609 10 0 BHAERN CCC(=O)CCc1ccc(C(F)(F)F)cc1 ZINC000043512108 343115075 /nfs/dbraw/zinc/11/50/75/343115075.db2.gz QZZAVKWKZCYKPP-UHFFFAOYSA-N 0 0 230.229 3.617 10 0 BHAERN CC(C)C(=O)CCc1ccc(C(F)(F)F)cc1 ZINC000043512109 166701655 /nfs/dbraw/zinc/70/16/55/166701655.db2.gz KEGCCOUFBXGTDJ-UHFFFAOYSA-N 0 0 244.256 3.863 10 0 BHAERN Clc1ccccc1Oc1nccnc1Cl ZINC000043536791 343132513 /nfs/dbraw/zinc/13/25/13/343132513.db2.gz ZYOOJIUOPSAPGB-UHFFFAOYSA-N 0 0 241.077 3.576 10 0 BHAERN Clc1ccc(Oc2nccnc2Cl)cc1 ZINC000043536792 343132510 /nfs/dbraw/zinc/13/25/10/343132510.db2.gz RWADGKSMEMHBGQ-UHFFFAOYSA-N 0 0 241.077 3.576 10 0 BHAERN Clc1cccc(Oc2nccnc2Cl)c1 ZINC000043536811 343132625 /nfs/dbraw/zinc/13/26/25/343132625.db2.gz YKZQXOQMFIVULE-UHFFFAOYSA-N 0 0 241.077 3.576 10 0 BHAERN Clc1ccc(Nc2cncc(Cl)n2)cc1 ZINC000043537393 343132845 /nfs/dbraw/zinc/13/28/45/343132845.db2.gz LJUFYYYALGYQPK-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN Clc1ccc(Nc2nccnc2Cl)cc1 ZINC000043537395 343132796 /nfs/dbraw/zinc/13/27/96/343132796.db2.gz GLUWIEQFILFYBH-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN Clc1cncc(Nc2ccccc2Cl)n1 ZINC000043537415 343132431 /nfs/dbraw/zinc/13/24/31/343132431.db2.gz AKMFWTRUWHTMKT-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN Clc1ccccc1Nc1nccnc1Cl ZINC000043537416 343132745 /nfs/dbraw/zinc/13/27/45/343132745.db2.gz YLCKDHQDHHSLLS-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN Clc1nccnc1NC1CCCCCCC1 ZINC000043537587 343132992 /nfs/dbraw/zinc/13/29/92/343132992.db2.gz AEGUYNCIZPFTLK-UHFFFAOYSA-N 0 0 239.750 3.655 10 0 BHAERN Cc1ccccc1Sc1nccnc1Cl ZINC000043538484 343131966 /nfs/dbraw/zinc/13/19/66/343131966.db2.gz ZWAASWAIDWFBCX-UHFFFAOYSA-N 0 0 236.727 3.590 10 0 BHAERN Cc1cccc(Sc2nccnc2Cl)c1 ZINC000043538491 343132055 /nfs/dbraw/zinc/13/20/55/343132055.db2.gz DPWWJPHNXOWHMK-UHFFFAOYSA-N 0 0 236.727 3.590 10 0 BHAERN CC(=O)c1sc(Cc2ccccc2C)nc1C ZINC000043560412 166492746 /nfs/dbraw/zinc/49/27/46/166492746.db2.gz RLZGQNJVWKOJRO-UHFFFAOYSA-N 0 0 245.347 3.553 10 0 BHAERN CC(C)C[C@H](O)c1ccccc1Br ZINC000043560642 343158235 /nfs/dbraw/zinc/15/82/35/343158235.db2.gz NLFINCOPEXUKDG-NSHDSACASA-N 0 0 243.144 3.529 10 0 BHAERN CC(C)C[C@@H](O)c1ccccc1Br ZINC000043560643 343158230 /nfs/dbraw/zinc/15/82/30/343158230.db2.gz NLFINCOPEXUKDG-LLVKDONJSA-N 0 0 243.144 3.529 10 0 BHAERN CC(C)(C)c1ccc(Oc2cc(N)ccn2)cc1 ZINC000043569389 343172521 /nfs/dbraw/zinc/17/25/21/343172521.db2.gz PYPGWCDKARRBOL-UHFFFAOYSA-N 0 0 242.322 3.754 10 0 BHAERN Cc1ccc(-c2ccc(N)c(C)c2)s1 ZINC000043570197 343179528 /nfs/dbraw/zinc/17/95/28/343179528.db2.gz XHNLWOVGVPHTLC-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1cc(-c2ccc(Cl)s2)ccc1N ZINC000043570198 343179532 /nfs/dbraw/zinc/17/95/32/343179532.db2.gz LFQGIIOWIPWLQG-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN CCCSc1ccc(N)cc1Br ZINC000043597875 343242058 /nfs/dbraw/zinc/24/20/58/343242058.db2.gz MJZWZYHNYHUKOK-UHFFFAOYSA-N 0 0 246.173 3.533 10 0 BHAERN CC(C)Sc1ccc(N)cc1Br ZINC000043597910 343242317 /nfs/dbraw/zinc/24/23/17/343242317.db2.gz RBRUKSSJAMTRKS-UHFFFAOYSA-N 0 0 246.173 3.532 10 0 BHAERN O=C(c1ccco1)c1cccc(Cl)c1Cl ZINC000043606599 343263725 /nfs/dbraw/zinc/26/37/25/343263725.db2.gz VMGCYYMBCKPFRV-UHFFFAOYSA-N 0 0 241.073 3.817 10 0 BHAERN Cc1ccc(C(=O)CC2CCCCC2)o1 ZINC000043609233 343272124 /nfs/dbraw/zinc/27/21/24/343272124.db2.gz GWDHAOBRCQJNBD-UHFFFAOYSA-N 0 0 206.285 3.741 10 0 BHAERN CCN[C@H](c1ccc(C)o1)c1ccccc1Cl ZINC000043610636 170163070 /nfs/dbraw/zinc/16/30/70/170163070.db2.gz APFNSZPDUWGWKM-AWEZNQCLSA-N 0 0 249.741 3.940 10 0 BHAERN CCN[C@@H](c1ccc(C)o1)c1ccccc1Cl ZINC000043610637 170147616 /nfs/dbraw/zinc/14/76/16/170147616.db2.gz APFNSZPDUWGWKM-CQSZACIVSA-N 0 0 249.741 3.940 10 0 BHAERN CC[C@@H]1CCC(=O)[C@H](Cc2cccs2)C1 ZINC000043653514 343696542 /nfs/dbraw/zinc/69/65/42/343696542.db2.gz DTVNBTSRZIYGKU-MNOVXSKESA-N 0 0 222.353 3.686 10 0 BHAERN CC[C@H]1CCC(=O)[C@H](Cc2cccs2)C1 ZINC000043653515 343696697 /nfs/dbraw/zinc/69/66/97/343696697.db2.gz DTVNBTSRZIYGKU-QWRGUYRKSA-N 0 0 222.353 3.686 10 0 BHAERN CC[C@@H]1CCC(=O)[C@@H](Cc2cccs2)C1 ZINC000043653516 343479437 /nfs/dbraw/zinc/47/94/37/343479437.db2.gz DTVNBTSRZIYGKU-GHMZBOCLSA-N 0 0 222.353 3.686 10 0 BHAERN CC[C@H]1CCC(=O)[C@@H](Cc2cccs2)C1 ZINC000043653517 343696562 /nfs/dbraw/zinc/69/65/62/343696562.db2.gz DTVNBTSRZIYGKU-WDEREUQCSA-N 0 0 222.353 3.686 10 0 BHAERN CC[C@@H]1CCC(=O)[C@H](Cc2ccsc2)C1 ZINC000043653624 343696650 /nfs/dbraw/zinc/69/66/50/343696650.db2.gz VKHILGZETVPKOS-PWSUYJOCSA-N 0 0 222.353 3.686 10 0 BHAERN CC[C@H]1CCC(=O)[C@H](Cc2ccsc2)C1 ZINC000043653625 343696827 /nfs/dbraw/zinc/69/68/27/343696827.db2.gz VKHILGZETVPKOS-JQWIXIFHSA-N 0 0 222.353 3.686 10 0 BHAERN CC[C@@H]1CCC(=O)[C@@H](Cc2ccsc2)C1 ZINC000043653626 343696662 /nfs/dbraw/zinc/69/66/62/343696662.db2.gz VKHILGZETVPKOS-ZYHUDNBSSA-N 0 0 222.353 3.686 10 0 BHAERN CC[C@H]1CCC(=O)[C@@H](Cc2ccsc2)C1 ZINC000043653627 343696688 /nfs/dbraw/zinc/69/66/88/343696688.db2.gz VKHILGZETVPKOS-CMPLNLGQSA-N 0 0 222.353 3.686 10 0 BHAERN Cc1cccc(CC[C@H](O)c2ccccc2)c1 ZINC000043656527 179061195 /nfs/dbraw/zinc/06/11/95/179061195.db2.gz KMKXKPRNKXMPMT-INIZCTEOSA-N 0 0 226.319 3.661 10 0 BHAERN Cc1cccc(CC[C@@H](O)c2ccccc2)c1 ZINC000043656529 179061542 /nfs/dbraw/zinc/06/15/42/179061542.db2.gz KMKXKPRNKXMPMT-MRXNPFEDSA-N 0 0 226.319 3.661 10 0 BHAERN CC[C@@H](Cc1ccc(C(C)C)cc1)[C@@H](C)O ZINC000043657116 170855320 /nfs/dbraw/zinc/85/53/20/170855320.db2.gz CRSUYSOKTOZGLV-OCCSQVGLSA-N 0 0 220.356 3.760 10 0 BHAERN CC[C@H](Cc1ccc(C(C)C)cc1)[C@@H](C)O ZINC000043657117 171469027 /nfs/dbraw/zinc/46/90/27/171469027.db2.gz CRSUYSOKTOZGLV-TZMCWYRMSA-N 0 0 220.356 3.760 10 0 BHAERN O[C@@H]1CCCC[C@H]1Cc1cccc2ccccc21 ZINC000043658143 183191014 /nfs/dbraw/zinc/19/10/14/183191014.db2.gz KPYQVGIEODOWRZ-DOTOQJQBSA-N 0 0 240.346 3.933 10 0 BHAERN O[C@@H]1CCCC[C@@H]1Cc1cccc2ccccc21 ZINC000043658144 183188446 /nfs/dbraw/zinc/18/84/46/183188446.db2.gz KPYQVGIEODOWRZ-NVXWUHKLSA-N 0 0 240.346 3.933 10 0 BHAERN C[C@@H](O)[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000043658568 398069926 /nfs/dbraw/zinc/06/99/26/398069926.db2.gz SOOGWTOLNHQUEU-JGVFFNPUSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@@H](O)[C@H](C)Cc1c(Cl)cccc1Cl ZINC000043658570 398069986 /nfs/dbraw/zinc/06/99/86/398069986.db2.gz SOOGWTOLNHQUEU-HTQZYQBOSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@H](O)[C@@H](C)Cc1c(Cl)cccc1Cl ZINC000043658572 398070073 /nfs/dbraw/zinc/07/00/73/398070073.db2.gz SOOGWTOLNHQUEU-YUMQZZPRSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@H](Cc1c(Cl)cccc1Cl)[C@H](C)O ZINC000043658573 398070163 /nfs/dbraw/zinc/07/01/63/398070163.db2.gz SOOGWTOLNHQUEU-SFYZADRCSA-N 0 0 233.138 3.553 10 0 BHAERN O[C@H]1CCCCC[C@H]1Cc1ccc(Cl)s1 ZINC000043658893 183231576 /nfs/dbraw/zinc/23/15/76/183231576.db2.gz UKUDYQXRCXGZPH-ONGXEEELSA-N 0 0 244.787 3.885 10 0 BHAERN O[C@H]1CCCCC[C@@H]1Cc1ccc(Cl)s1 ZINC000043658894 183231556 /nfs/dbraw/zinc/23/15/56/183231556.db2.gz UKUDYQXRCXGZPH-KOLCDFICSA-N 0 0 244.787 3.885 10 0 BHAERN O[C@@H]1CCCCC[C@H]1Cc1ccc(Cl)s1 ZINC000043658895 183187698 /nfs/dbraw/zinc/18/76/98/183187698.db2.gz UKUDYQXRCXGZPH-GXSJLCMTSA-N 0 0 244.787 3.885 10 0 BHAERN O[C@@H]1CCCCC[C@@H]1Cc1ccc(Cl)s1 ZINC000043658896 183186403 /nfs/dbraw/zinc/18/64/03/183186403.db2.gz UKUDYQXRCXGZPH-MWLCHTKSSA-N 0 0 244.787 3.885 10 0 BHAERN Cc1cc(C)cc(C[C@@H]2CCCCC[C@H]2O)c1 ZINC000043659006 188295890 /nfs/dbraw/zinc/29/58/90/188295890.db2.gz YPXZAADYRZPLTE-JKSUJKDBSA-N 0 0 232.367 3.787 10 0 BHAERN Cc1cc(C)cc(C[C@H]2CCCCC[C@H]2O)c1 ZINC000043659007 177902837 /nfs/dbraw/zinc/90/28/37/177902837.db2.gz YPXZAADYRZPLTE-HZPDHXFCSA-N 0 0 232.367 3.787 10 0 BHAERN CCCCCC[C@H]1Cc2ccccc2[C@H]1O ZINC000043659132 168679848 /nfs/dbraw/zinc/67/98/48/168679848.db2.gz ZEOFFEXQOCYZTK-ZFWWWQNUSA-N 0 0 218.340 3.863 10 0 BHAERN CC[C@@H]1CC[C@H](O)[C@H](CCOc2ccccc2)C1 ZINC000043660885 171057376 /nfs/dbraw/zinc/05/73/76/171057376.db2.gz YRXXDSJVUWBICB-FMKPAKJESA-N 0 0 248.366 3.643 10 0 BHAERN CCC(C)(C)C1CCC(n2nc(C)cc2N)CC1 ZINC000043664107 168270431 /nfs/dbraw/zinc/27/04/31/168270431.db2.gz CQDVHFCKXQTJFM-UHFFFAOYSA-N 0 0 249.402 3.941 10 0 BHAERN CC(C)(C)OCc1ccc(Br)s1 ZINC000043679675 343698798 /nfs/dbraw/zinc/69/87/98/343698798.db2.gz UCDCWABVZVHFBM-UHFFFAOYSA-N 0 0 249.173 3.826 10 0 BHAERN CC(C)(C)OCc1sccc1Br ZINC000043679680 343698758 /nfs/dbraw/zinc/69/87/58/343698758.db2.gz DVXHGEWSNTWCGS-UHFFFAOYSA-N 0 0 249.173 3.826 10 0 BHAERN CC(C)(C)OCc1cc(Br)cs1 ZINC000043687609 343481011 /nfs/dbraw/zinc/48/10/11/343481011.db2.gz FSADZNWIAGLOSV-UHFFFAOYSA-N 0 0 249.173 3.826 10 0 BHAERN CCOC(=O)c1cc(-c2ccccc2)cs1 ZINC000043861797 170291127 /nfs/dbraw/zinc/29/11/27/170291127.db2.gz GXFJAQMPHAMNAF-UHFFFAOYSA-N 0 0 232.304 3.592 10 0 BHAERN CCOC(CC/C=C(\C)CC)OCC ZINC000043875649 344290803 /nfs/dbraw/zinc/29/08/03/344290803.db2.gz MKLMMTQACCNYRK-PKNBQFBNSA-N 0 0 200.322 3.522 10 0 BHAERN Brc1cccc(C2CCCCC2)n1 ZINC000044116798 166101957 /nfs/dbraw/zinc/10/19/57/166101957.db2.gz JKFSCIIMZPOGKG-UHFFFAOYSA-N 0 0 240.144 3.892 10 0 BHAERN Brc1cnc(C2CCCCC2)s1 ZINC000044117230 166105166 /nfs/dbraw/zinc/10/51/66/166105166.db2.gz IEPZESPMXKLXCT-UHFFFAOYSA-N 0 0 246.173 3.953 10 0 BHAERN Brc1cnc(-c2cccs2)s1 ZINC000044117241 166105060 /nfs/dbraw/zinc/10/50/60/166105060.db2.gz BZXYJYOVGBANHH-UHFFFAOYSA-N 0 0 246.154 3.634 10 0 BHAERN Brc1ccnc(C2CCCCC2)c1 ZINC000044118310 166103172 /nfs/dbraw/zinc/10/31/72/166103172.db2.gz RQVCVEGQZNTGAY-UHFFFAOYSA-N 0 0 240.144 3.892 10 0 BHAERN Cc1ccccc1-c1cc(Br)ccn1 ZINC000044118329 179235349 /nfs/dbraw/zinc/23/53/49/179235349.db2.gz YEFCJSMKAZPFOH-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Cc1ccc(-c2cc(Br)ccn2)cc1 ZINC000044118351 178317509 /nfs/dbraw/zinc/31/75/09/178317509.db2.gz PRJQTPVITNKPPP-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Brc1ccnc(-c2ccsc2)c1 ZINC000044118360 166103390 /nfs/dbraw/zinc/10/33/90/166103390.db2.gz WUHVXVUSPATAKB-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1cccc(C2CCCC2)n1 ZINC000044118475 166101840 /nfs/dbraw/zinc/10/18/40/166101840.db2.gz RQINYFYGGDEZDI-UHFFFAOYSA-N 0 0 226.117 3.502 10 0 BHAERN Brc1ccnc(C2CCCC2)c1 ZINC000044118681 166102567 /nfs/dbraw/zinc/10/25/67/166102567.db2.gz IQRSFIDJNCRIDW-UHFFFAOYSA-N 0 0 226.117 3.502 10 0 BHAERN Brc1csc(C2CCCC2)n1 ZINC000044118827 166105868 /nfs/dbraw/zinc/10/58/68/166105868.db2.gz NAVSUCXSPRURND-UHFFFAOYSA-N 0 0 232.146 3.563 10 0 BHAERN Brc1csc(-c2cccs2)n1 ZINC000044118842 166105668 /nfs/dbraw/zinc/10/56/68/166105668.db2.gz VTZFPVFWSPFGGO-UHFFFAOYSA-N 0 0 246.154 3.634 10 0 BHAERN Brc1csc(C2CCCCC2)n1 ZINC000044118849 166106561 /nfs/dbraw/zinc/10/65/61/166106561.db2.gz TZGCLXUFECTCLI-UHFFFAOYSA-N 0 0 246.173 3.953 10 0 BHAERN Brc1ccnc(-c2cccs2)c1 ZINC000044118864 166103229 /nfs/dbraw/zinc/10/32/29/166103229.db2.gz XMQJCEGXBGVQBG-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1cc(-c2cccs2)ccn1 ZINC000044118898 166096103 /nfs/dbraw/zinc/09/61/03/166096103.db2.gz DZYRYIZEUPRISM-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Cc1ccccc1-c1cccc(Br)n1 ZINC000044118950 179236829 /nfs/dbraw/zinc/23/68/29/179236829.db2.gz PBYQNKFZBBHIMS-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Brc1csc(-c2ccsc2)n1 ZINC000044118977 166106965 /nfs/dbraw/zinc/10/69/65/166106965.db2.gz FZRDRDKAFUJNQP-UHFFFAOYSA-N 0 0 246.154 3.634 10 0 BHAERN Brc1cnc(C2CCCC2)s1 ZINC000044119590 166104413 /nfs/dbraw/zinc/10/44/13/166104413.db2.gz NDCRQFIIZKHOLL-UHFFFAOYSA-N 0 0 232.146 3.563 10 0 BHAERN O=C1CSC(c2cccc(C(F)(F)F)c2)=N1 ZINC000044119683 183305785 /nfs/dbraw/zinc/30/57/85/183305785.db2.gz HVQKKQONDGTYPA-UHFFFAOYSA-N 0 0 245.225 3.535 10 0 BHAERN Brc1cnc(-c2ccsc2)s1 ZINC000044119794 166104283 /nfs/dbraw/zinc/10/42/83/166104283.db2.gz XGBJKDPGQARSTL-UHFFFAOYSA-N 0 0 246.154 3.634 10 0 BHAERN O=C1CSC(c2ccccc2C(F)(F)F)=N1 ZINC000044119833 183305495 /nfs/dbraw/zinc/30/54/95/183305495.db2.gz KVVJAEXMJLGWBQ-UHFFFAOYSA-N 0 0 245.225 3.535 10 0 BHAERN Brc1cc(C2CCCC2)ccn1 ZINC000044120336 166095733 /nfs/dbraw/zinc/09/57/33/166095733.db2.gz SIRPSJGHLUVNCQ-UHFFFAOYSA-N 0 0 226.117 3.502 10 0 BHAERN Brc1cc(C2CCCCC2)ccn1 ZINC000044120348 166096094 /nfs/dbraw/zinc/09/60/94/166096094.db2.gz XNXDENKAJHLURH-UHFFFAOYSA-N 0 0 240.144 3.892 10 0 BHAERN Cc1ccccc1-c1ccnc(Br)c1 ZINC000044120359 179236785 /nfs/dbraw/zinc/23/67/85/179236785.db2.gz HCXJDBUQSREINY-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Cc1ccc(-c2ccnc(Br)c2)cc1 ZINC000044120382 178327496 /nfs/dbraw/zinc/32/74/96/178327496.db2.gz BIBUKDIQNQELIX-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Brc1cc(-c2ccsc2)ccn1 ZINC000044120399 166096200 /nfs/dbraw/zinc/09/62/00/166096200.db2.gz STIIBDPSIFEXHB-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN O=C1CN=C(c2cccc(C(F)(F)F)c2)S1 ZINC000044120467 183304636 /nfs/dbraw/zinc/30/46/36/183304636.db2.gz YYXLIPXRIBYCKV-UHFFFAOYSA-N 0 0 245.225 3.535 10 0 BHAERN O=C1CN=C(c2ccc(C(F)(F)F)cc2)S1 ZINC000044120477 183304943 /nfs/dbraw/zinc/30/49/43/183304943.db2.gz ILQVTDPXGPAHBY-UHFFFAOYSA-N 0 0 245.225 3.535 10 0 BHAERN Brc1ccc(C2CCCC2)cn1 ZINC000044120579 166098424 /nfs/dbraw/zinc/09/84/24/166098424.db2.gz CHISVRWMEARCQU-UHFFFAOYSA-N 0 0 226.117 3.502 10 0 BHAERN Brc1ccc(C2CCCCC2)cn1 ZINC000044120588 166097435 /nfs/dbraw/zinc/09/74/35/166097435.db2.gz SLXPWNQQVKEYOK-UHFFFAOYSA-N 0 0 240.144 3.892 10 0 BHAERN Brc1cc(-c2nccs2)cs1 ZINC000044120624 166096271 /nfs/dbraw/zinc/09/62/71/166096271.db2.gz BZOBUDOAXWCBHN-UHFFFAOYSA-N 0 0 246.154 3.634 10 0 BHAERN CC(C)c1ccc(Br)s1 ZINC000044120824 188296739 /nfs/dbraw/zinc/29/67/39/188296739.db2.gz GXPIJGRYTRTFGK-UHFFFAOYSA-N 0 0 205.120 3.634 10 0 BHAERN Brc1ccc(-c2ccccc2)o1 ZINC000044120867 166096151 /nfs/dbraw/zinc/09/61/51/166096151.db2.gz XPWBNJSCJKKCEQ-UHFFFAOYSA-N 0 0 223.069 3.709 10 0 BHAERN Brc1cc(-c2ccccc2)co1 ZINC000044120878 166096448 /nfs/dbraw/zinc/09/64/48/166096448.db2.gz CGRIZIHELQUPCC-UHFFFAOYSA-N 0 0 223.069 3.709 10 0 BHAERN Fc1ccccc1-c1coc(Br)c1 ZINC000044120924 181009148 /nfs/dbraw/zinc/00/91/48/181009148.db2.gz GKBQFLKFOWMHBQ-UHFFFAOYSA-N 0 0 241.059 3.848 10 0 BHAERN Fc1ccccc1-c1ccc(Br)o1 ZINC000044120991 181008891 /nfs/dbraw/zinc/00/88/91/181008891.db2.gz SJZCFHFZFSNOLJ-UHFFFAOYSA-N 0 0 241.059 3.848 10 0 BHAERN Brc1cc(C2CCCC2)co1 ZINC000044121046 166096566 /nfs/dbraw/zinc/09/65/66/166096566.db2.gz QNNWHPMYFKVLJR-UHFFFAOYSA-N 0 0 215.090 3.700 10 0 BHAERN Fc1cccc(-c2coc(Br)c2)c1 ZINC000044121067 180993480 /nfs/dbraw/zinc/99/34/80/180993480.db2.gz TUEVVFNFMFHCOB-UHFFFAOYSA-N 0 0 241.059 3.848 10 0 BHAERN Fc1ccc(-c2coc(Br)c2)cc1 ZINC000044121072 180958459 /nfs/dbraw/zinc/95/84/59/180958459.db2.gz AFQNLCVLOLKUJN-UHFFFAOYSA-N 0 0 241.059 3.848 10 0 BHAERN Brc1ccc(-c2ccsc2)cn1 ZINC000044121186 166098369 /nfs/dbraw/zinc/09/83/69/166098369.db2.gz ZUVBXISEJWMUST-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1ccc(C2=CCCCC2)cn1 ZINC000044121191 166097484 /nfs/dbraw/zinc/09/74/84/166097484.db2.gz XKTJTISNYFRURJ-UHFFFAOYSA-N 0 0 238.128 3.802 10 0 BHAERN Brc1ccc(C2CCCC2)nc1 ZINC000044121429 166098410 /nfs/dbraw/zinc/09/84/10/166098410.db2.gz YIRYEEZFMBLTBA-UHFFFAOYSA-N 0 0 226.117 3.502 10 0 BHAERN Brc1ccc(C2CCCCC2)nc1 ZINC000044121443 166097831 /nfs/dbraw/zinc/09/78/31/166097831.db2.gz YQQWUQJRZYSHDG-UHFFFAOYSA-N 0 0 240.144 3.892 10 0 BHAERN Brc1ccc(-c2ccsc2)nc1 ZINC000044121458 166098536 /nfs/dbraw/zinc/09/85/36/166098536.db2.gz JHVCKUZCXHNVEM-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1ccc(C2=CCCCC2)nc1 ZINC000044121497 166097161 /nfs/dbraw/zinc/09/71/61/166097161.db2.gz QRRYHFFMYKAAAC-UHFFFAOYSA-N 0 0 238.128 3.802 10 0 BHAERN Brc1cnc(C2=CCCCC2)s1 ZINC000044121568 166104336 /nfs/dbraw/zinc/10/43/36/166104336.db2.gz GATFYXAHKIQKTP-UHFFFAOYSA-N 0 0 244.157 3.863 10 0 BHAERN O=C1CN=C(c2ccccc2C(F)(F)F)S1 ZINC000044121608 183305521 /nfs/dbraw/zinc/30/55/21/183305521.db2.gz GDRBHUJQEFVPOO-UHFFFAOYSA-N 0 0 245.225 3.535 10 0 BHAERN CC(C)(C)c1ccc(-c2ncc(N)s2)cc1 ZINC000044121632 187293024 /nfs/dbraw/zinc/29/30/24/187293024.db2.gz XKVAZIBYXBLIBF-UHFFFAOYSA-N 0 0 232.352 3.690 10 0 BHAERN Brc1cc(C2CCC2)cs1 ZINC000044121799 166096083 /nfs/dbraw/zinc/09/60/83/166096083.db2.gz FBHJQAVWMWHQCW-UHFFFAOYSA-N 0 0 217.131 3.778 10 0 BHAERN Brc1ccc(C2CCC2)s1 ZINC000044121809 166097391 /nfs/dbraw/zinc/09/73/91/166097391.db2.gz QQGFLOXNYVLDQF-UHFFFAOYSA-N 0 0 217.131 3.778 10 0 BHAERN Brc1ncc(C2CCCC2)s1 ZINC000044121853 190996956 /nfs/dbraw/zinc/99/69/56/190996956.db2.gz HQWWSZBICQGAGI-UHFFFAOYSA-N 0 0 232.146 3.563 10 0 BHAERN Brc1nc(C2CCCC2)cs1 ZINC000044121858 352172299 /nfs/dbraw/zinc/17/22/99/352172299.db2.gz FZLOWTAQDGXDBK-UHFFFAOYSA-N 0 0 232.146 3.563 10 0 BHAERN Cc1cc2c(Cl)ncnc2cc1C(F)(F)F ZINC000044139448 178277852 /nfs/dbraw/zinc/27/78/52/178277852.db2.gz DZWRZIJRHGZOKG-UHFFFAOYSA-N 0 0 246.619 3.610 10 0 BHAERN Cc1c2[nH]ccc2c(Cl)cc1Br ZINC000044185078 352202795 /nfs/dbraw/zinc/20/27/95/352202795.db2.gz UDABGGJZBJEILG-UHFFFAOYSA-N 0 0 244.519 3.892 10 0 BHAERN Cc1c2[nH]ccc2c(Cl)cc1Cl ZINC000044185086 352202291 /nfs/dbraw/zinc/20/22/91/352202291.db2.gz PWKQQNZFHDWTQG-UHFFFAOYSA-N 0 0 200.068 3.783 10 0 BHAERN C[C@@H](Oc1ccccc1-c1ccccc1)[C@H](C)O ZINC000044194232 177005606 /nfs/dbraw/zinc/00/56/06/177005606.db2.gz QTAUQLCXAVMJPF-QWHCGFSZSA-N 0 0 242.318 3.502 10 0 BHAERN C[C@H](O)[C@H](C)Oc1ccccc1-c1ccccc1 ZINC000044194238 177012312 /nfs/dbraw/zinc/01/23/12/177012312.db2.gz QTAUQLCXAVMJPF-STQMWFEESA-N 0 0 242.318 3.502 10 0 BHAERN C[C@@H](O)[C@H](C)Oc1ccccc1-c1ccccc1 ZINC000044194241 177024335 /nfs/dbraw/zinc/02/43/35/177024335.db2.gz QTAUQLCXAVMJPF-OLZOCXBDSA-N 0 0 242.318 3.502 10 0 BHAERN CCC(C)(C)c1ccc(O[C@H](C)[C@@H](C)O)cc1 ZINC000044197902 322840308 /nfs/dbraw/zinc/84/03/08/322840308.db2.gz JKAIQAQFUPYBHP-VXGBXAGGSA-N 0 0 236.355 3.522 10 0 BHAERN CCC(C)(C)c1ccc(O[C@H](C)[C@H](C)O)cc1 ZINC000044197907 322840406 /nfs/dbraw/zinc/84/04/06/322840406.db2.gz JKAIQAQFUPYBHP-NWDGAFQWSA-N 0 0 236.355 3.522 10 0 BHAERN CCOC(=O)c1ccc(-c2cccs2)s1 ZINC000044200333 358404477 /nfs/dbraw/zinc/40/44/77/358404477.db2.gz GSPKXTGREJHFCP-UHFFFAOYSA-N 0 0 238.333 3.653 10 0 BHAERN CCOC(=O)c1c2ccccc2[nH]c1C(C)(C)C ZINC000044200893 170287239 /nfs/dbraw/zinc/28/72/39/170287239.db2.gz QUCGJYYLOPIALB-UHFFFAOYSA-N 0 0 245.322 3.642 10 0 BHAERN CCOC(=O)c1ccc(-c2cccc(C)c2)cc1 ZINC000044201027 368332416 /nfs/dbraw/zinc/33/24/16/368332416.db2.gz PMDMAVBTMSRHGM-UHFFFAOYSA-N 0 0 240.302 3.839 10 0 BHAERN CCOC(=O)c1cccc(-c2cccc(C)c2)c1 ZINC000044201030 368332502 /nfs/dbraw/zinc/33/25/02/368332502.db2.gz HLISJSXDKSBIED-UHFFFAOYSA-N 0 0 240.302 3.839 10 0 BHAERN CCOC(=O)c1ccccc1-c1cccc(C)c1 ZINC000044201033 368332594 /nfs/dbraw/zinc/33/25/94/368332594.db2.gz KXVDBDOCYVJPTG-UHFFFAOYSA-N 0 0 240.302 3.839 10 0 BHAERN CCOC(=O)c1ccc(-c2cccc(F)c2)cc1 ZINC000044201065 344982459 /nfs/dbraw/zinc/98/24/59/344982459.db2.gz VIFNDLPOKWAYCY-UHFFFAOYSA-N 0 0 244.265 3.669 10 0 BHAERN CC(C)C(=O)Cc1c(Cl)cccc1Cl ZINC000044266301 345000891 /nfs/dbraw/zinc/00/08/91/345000891.db2.gz YDMFPZMJIZXBGI-UHFFFAOYSA-N 0 0 231.122 3.761 10 0 BHAERN CC(C)[C@H](O)Cc1c(Cl)cccc1Cl ZINC000044266618 345000888 /nfs/dbraw/zinc/00/08/88/345000888.db2.gz CPESXTAVTBBGOF-LLVKDONJSA-N 0 0 233.138 3.553 10 0 BHAERN CC(C)[C@@H](O)Cc1c(Cl)cccc1Cl ZINC000044266624 345000941 /nfs/dbraw/zinc/00/09/41/345000941.db2.gz CPESXTAVTBBGOF-NSHDSACASA-N 0 0 233.138 3.553 10 0 BHAERN CC(C)[C@@H](C)Nc1cccc(C(F)(F)F)n1 ZINC000044271315 167387757 /nfs/dbraw/zinc/38/77/57/167387757.db2.gz AUMUVOOBGXNYEB-MRVPVSSYSA-N 0 0 232.249 3.557 10 0 BHAERN CC(C)[C@H](C)Nc1cccc(C(F)(F)F)n1 ZINC000044271317 352651430 /nfs/dbraw/zinc/65/14/30/352651430.db2.gz AUMUVOOBGXNYEB-QMMMGPOBSA-N 0 0 232.249 3.557 10 0 BHAERN CC[C@H](Nc1cccc(C(F)(F)F)n1)C(C)C ZINC000044271682 384651960 /nfs/dbraw/zinc/65/19/60/384651960.db2.gz DRFMQCOMWXCMOQ-VIFPVBQESA-N 0 0 246.276 3.947 10 0 BHAERN CC[C@@H](Nc1cccc(C(F)(F)F)n1)C(C)C ZINC000044271684 322840418 /nfs/dbraw/zinc/84/04/18/322840418.db2.gz DRFMQCOMWXCMOQ-SECBINFHSA-N 0 0 246.276 3.947 10 0 BHAERN COc1ccc(-c2cccc(Cl)c2)cc1C=O ZINC000044367201 358407467 /nfs/dbraw/zinc/40/74/67/358407467.db2.gz JYXMCUVTZSAKEH-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN CC(C)(C)c1cc(CCO)cc(C(C)(C)C)c1 ZINC000044380047 187606089 /nfs/dbraw/zinc/60/60/89/187606089.db2.gz BHZUDPUPBDUULY-UHFFFAOYSA-N 0 0 234.383 3.816 10 0 BHAERN CC1(C)CCC(C)(C)c2cc(CCO)ccc21 ZINC000044381023 347207915 /nfs/dbraw/zinc/20/79/15/347207915.db2.gz IXQRKUWTKPMZEJ-UHFFFAOYSA-N 0 0 232.367 3.570 10 0 BHAERN OCCCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000044396007 183064946 /nfs/dbraw/zinc/06/49/46/183064946.db2.gz DCXUKSMOJPDVKS-UHFFFAOYSA-N 0 0 246.737 3.932 10 0 BHAERN CC12CCC(NC(=O)c3ccccc3)(CC1)CC2 ZINC000044460228 368331774 /nfs/dbraw/zinc/33/17/74/368331774.db2.gz LYWIZWZGTVWZQJ-UHFFFAOYSA-N 0 0 243.350 3.529 10 0 BHAERN CC[C@@H]1CCC(=O)[C@H](Cc2cccc(F)c2)C1 ZINC000044468816 187267899 /nfs/dbraw/zinc/26/78/99/187267899.db2.gz ZLSVGSOWYLJZPO-YPMHNXCESA-N 0 0 234.314 3.764 10 0 BHAERN CC[C@H]1CCC(=O)[C@H](Cc2cccc(F)c2)C1 ZINC000044468819 188123731 /nfs/dbraw/zinc/12/37/31/188123731.db2.gz ZLSVGSOWYLJZPO-AAEUAGOBSA-N 0 0 234.314 3.764 10 0 BHAERN CC[C@H]1CCC(=O)[C@@H](Cc2cccc(F)c2)C1 ZINC000044468824 188123848 /nfs/dbraw/zinc/12/38/48/188123848.db2.gz ZLSVGSOWYLJZPO-WCQYABFASA-N 0 0 234.314 3.764 10 0 BHAERN CC[C@@H]1C[C@H](c2ccccc2)CCC1=O ZINC000044468996 345084909 /nfs/dbraw/zinc/08/49/09/345084909.db2.gz IQAYYENGBXTTMB-DGCLKSJQSA-N 0 0 202.297 3.549 10 0 BHAERN CC[C@H]1C[C@H](c2ccccc2)CCC1=O ZINC000044468999 345085153 /nfs/dbraw/zinc/08/51/53/345085153.db2.gz IQAYYENGBXTTMB-WCQYABFASA-N 0 0 202.297 3.549 10 0 BHAERN CC[C@@H]1C[C@@H](c2ccccc2)CCC1=O ZINC000044469002 345085340 /nfs/dbraw/zinc/08/53/40/345085340.db2.gz IQAYYENGBXTTMB-YPMHNXCESA-N 0 0 202.297 3.549 10 0 BHAERN CC[C@H]1C[C@@H](c2ccccc2)CCC1=O ZINC000044469005 345084880 /nfs/dbraw/zinc/08/48/80/345084880.db2.gz IQAYYENGBXTTMB-AAEUAGOBSA-N 0 0 202.297 3.549 10 0 BHAERN CCOCC[C@H]1C[C@@H](c2ccccc2)CCC1=O ZINC000044469026 170427863 /nfs/dbraw/zinc/42/78/63/170427863.db2.gz FFLSZMKVOADOMZ-GJZGRUSLSA-N 0 0 246.350 3.566 10 0 BHAERN CC(C)C[C@H]1CCCc2ccccc2[C@@H]1O ZINC000044470053 188296661 /nfs/dbraw/zinc/29/66/61/188296661.db2.gz DAHFFFFRAIIHTG-UKRRQHHQSA-N 0 0 218.340 3.719 10 0 BHAERN CC(C)C[C@H]1CCCc2ccccc2[C@H]1O ZINC000044470060 187267960 /nfs/dbraw/zinc/26/79/60/187267960.db2.gz DAHFFFFRAIIHTG-HIFRSBDPSA-N 0 0 218.340 3.719 10 0 BHAERN CC[C@@H]1CC[C@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000044470167 171057751 /nfs/dbraw/zinc/05/77/51/171057751.db2.gz DPHQJNWLIHUOOX-ZLDLUXBVSA-N 0 0 236.330 3.555 10 0 BHAERN CC[C@@H]1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 ZINC000044470173 171041560 /nfs/dbraw/zinc/04/15/60/171041560.db2.gz DPHQJNWLIHUOOX-OSAQELSMSA-N 0 0 236.330 3.555 10 0 BHAERN Clc1ccc(Cl)c(NC2CCC2)c1 ZINC000044479866 345092496 /nfs/dbraw/zinc/09/24/96/345092496.db2.gz KOYUXFLPOOLYHX-UHFFFAOYSA-N 0 0 216.111 3.958 10 0 BHAERN Cc1ccc(NC2CCC2)c(Br)c1 ZINC000044479879 343502593 /nfs/dbraw/zinc/50/25/93/343502593.db2.gz ALBVIYNMEWDBAG-UHFFFAOYSA-N 0 0 240.144 3.722 10 0 BHAERN COc1cc(Cl)c(C)cc1NC1CCC1 ZINC000044479910 343502575 /nfs/dbraw/zinc/50/25/75/343502575.db2.gz YJMDHJCTEUQYBR-UHFFFAOYSA-N 0 0 225.719 3.621 10 0 BHAERN FC(F)(F)c1cccc(NC2CCC2)c1 ZINC000044479918 384333024 /nfs/dbraw/zinc/33/30/24/384333024.db2.gz QTZIGTZSNMLJMH-UHFFFAOYSA-N 0 0 215.218 3.670 10 0 BHAERN CC(C)(C)c1ccc(NC2CCC2)cc1 ZINC000044479922 187950815 /nfs/dbraw/zinc/95/08/15/187950815.db2.gz XLYSKLZWYMRJMO-UHFFFAOYSA-N 0 0 203.329 3.949 10 0 BHAERN Clc1ccc(NC2CCC2)c(Cl)c1 ZINC000044479928 345092471 /nfs/dbraw/zinc/09/24/71/345092471.db2.gz VSGRYLBPFOGHEX-UHFFFAOYSA-N 0 0 216.111 3.958 10 0 BHAERN Cc1cc(Br)ccc1NC1CCC1 ZINC000044479930 343502665 /nfs/dbraw/zinc/50/26/65/343502665.db2.gz PLOHMIBLBLUHBI-UHFFFAOYSA-N 0 0 240.144 3.722 10 0 BHAERN c1cc2c(c(NC3CCC3)c1)CCCC2 ZINC000044479943 183365655 /nfs/dbraw/zinc/36/56/55/183365655.db2.gz PKHKMFTYVVXZMC-UHFFFAOYSA-N 0 0 201.313 3.530 10 0 BHAERN Fc1cc(Br)ccc1NC1CCC1 ZINC000044479972 345092348 /nfs/dbraw/zinc/09/23/48/345092348.db2.gz MOTXYJMKEKSDIT-UHFFFAOYSA-N 0 0 244.107 3.553 10 0 BHAERN Cc1cc(NC2CCC2)ccc1Br ZINC000044479974 178154657 /nfs/dbraw/zinc/15/46/57/178154657.db2.gz QSPJVRQFHUIYMH-UHFFFAOYSA-N 0 0 240.144 3.722 10 0 BHAERN FC(F)(F)c1ccc(NC2CCC2)cc1 ZINC000044479984 384332602 /nfs/dbraw/zinc/33/26/02/384332602.db2.gz YQZSOEPAQWDTJZ-UHFFFAOYSA-N 0 0 215.218 3.670 10 0 BHAERN Clc1cc(Cl)cc(NC2CCC2)c1 ZINC000044479997 180575599 /nfs/dbraw/zinc/57/55/99/180575599.db2.gz YOHZDPPHUXTBLT-UHFFFAOYSA-N 0 0 216.111 3.958 10 0 BHAERN Clc1ccc(NC2CCC2)cc1Cl ZINC000044480023 345092289 /nfs/dbraw/zinc/09/22/89/345092289.db2.gz ZQUAEYAHVFRNDS-UHFFFAOYSA-N 0 0 216.111 3.958 10 0 BHAERN Clc1cccc(NC2CCC2)c1Cl ZINC000044480540 345094420 /nfs/dbraw/zinc/09/44/20/345094420.db2.gz IFHNFFPOPKHVRA-UHFFFAOYSA-N 0 0 216.111 3.958 10 0 BHAERN Fc1ccc(NC2CCC2)c(Br)c1 ZINC000044480546 345094252 /nfs/dbraw/zinc/09/42/52/345094252.db2.gz QHMLOSYQHZUAEO-UHFFFAOYSA-N 0 0 244.107 3.553 10 0 BHAERN Fc1ccc(Br)cc1NC1CCC1 ZINC000044480675 345095293 /nfs/dbraw/zinc/09/52/93/345095293.db2.gz CNIKYRGMEIKFNM-UHFFFAOYSA-N 0 0 244.107 3.553 10 0 BHAERN Cc1ccc(Br)cc1NC1CCC1 ZINC000044481489 178362257 /nfs/dbraw/zinc/36/22/57/178362257.db2.gz DGQCMACNNXDJEE-UHFFFAOYSA-N 0 0 240.144 3.722 10 0 BHAERN CCOC(OCC)c1c(C)cc(C)cc1C ZINC000044491535 345096846 /nfs/dbraw/zinc/09/68/46/345096846.db2.gz UCSREMDOIDTXAY-UHFFFAOYSA-N 0 0 222.328 3.683 10 0 BHAERN Fc1cccc(Nc2cccc(F)c2)c1 ZINC000044564014 181002894 /nfs/dbraw/zinc/00/28/94/181002894.db2.gz ZRAGUXFMSHTKHM-UHFFFAOYSA-N 0 0 205.207 3.708 10 0 BHAERN Cc1ccc2c(c1)O[C@H](c1ccccc1)CC2=O ZINC000044602600 581091274 /nfs/dbraw/zinc/09/12/74/581091274.db2.gz FNOKOVWLKVWYRY-HNNXBMFYSA-N 0 0 238.286 3.702 10 0 in-vivo BHAERN O[C@H]1C[C@@H](c2ccccc2)Sc2ccccc21 ZINC000044603715 183247437 /nfs/dbraw/zinc/24/74/37/183247437.db2.gz RCARQLFXTUCHCC-ZFWWWQNUSA-N 0 0 242.343 3.957 10 0 BHAERN Clc1nccc2oc3ccccc3c21 ZINC000044628680 358392018 /nfs/dbraw/zinc/39/20/18/358392018.db2.gz CJUBTISJWGFEAM-UHFFFAOYSA-N 0 0 203.628 3.634 10 0 BHAERN c1ccc([C@H]2C[C@H]2Nc2nc3ccccc3[nH]2)cc1 ZINC000044677659 183432874 /nfs/dbraw/zinc/43/28/74/183432874.db2.gz RAYNPVIZRSWIGV-IUODEOHRSA-N 0 0 249.317 3.531 10 0 BHAERN C/C=C\C(=O)OCC[C@@H](C)CCC=C(C)C ZINC000044710064 187268117 /nfs/dbraw/zinc/26/81/17/187268117.db2.gz MYGZJMACIRJNPL-VGVVRCBHSA-N 0 0 224.344 3.878 10 0 BHAERN CCC(=O)c1ccc(SC(C)C)cc1 ZINC000044710313 168257726 /nfs/dbraw/zinc/25/77/26/168257726.db2.gz VCQWZCYOFXBZGB-UHFFFAOYSA-N 0 0 208.326 3.780 10 0 BHAERN FC(F)(F)c1cc(Cl)cc2scnc21 ZINC000044713313 352384304 /nfs/dbraw/zinc/38/43/04/352384304.db2.gz KIGOXKFMQRSWIY-UHFFFAOYSA-N 0 0 237.633 3.969 10 0 BHAERN Cc1cc([C@@H](C)Nc2nccs2)c(C)o1 ZINC000044730919 178234110 /nfs/dbraw/zinc/23/41/10/178234110.db2.gz GFDPYLNPEKKEBM-MRVPVSSYSA-N 0 0 222.313 3.526 10 0 BHAERN Cc1cc([C@H](C)Nc2nccs2)c(C)o1 ZINC000044730920 178259751 /nfs/dbraw/zinc/25/97/51/178259751.db2.gz GFDPYLNPEKKEBM-QMMMGPOBSA-N 0 0 222.313 3.526 10 0 BHAERN Cc1cc([C@@H](C)Nc2cccc(F)n2)c(C)o1 ZINC000044731772 178234378 /nfs/dbraw/zinc/23/43/78/178234378.db2.gz GLUUUZMARJSMHV-SECBINFHSA-N 0 0 234.274 3.604 10 0 BHAERN Cc1cc([C@H](C)Nc2cccc(F)n2)c(C)o1 ZINC000044731773 178259324 /nfs/dbraw/zinc/25/93/24/178259324.db2.gz GLUUUZMARJSMHV-VIFPVBQESA-N 0 0 234.274 3.604 10 0 BHAERN CCc1ccc(NC(=O)Oc2ccccc2)cc1 ZINC000044803038 171818937 /nfs/dbraw/zinc/81/89/37/171818937.db2.gz CPVHWPCANOWEFY-UHFFFAOYSA-N 0 0 241.290 3.860 10 0 BHAERN Cc1c(C=O)cccc1Oc1ccccc1 ZINC000044830761 187268565 /nfs/dbraw/zinc/26/85/65/187268565.db2.gz NINLPPPVJUZETK-UHFFFAOYSA-N 0 0 212.248 3.600 10 0 BHAERN COCC[C@H](C)Nc1ccccc1C(C)C ZINC000045017546 322843874 /nfs/dbraw/zinc/84/38/74/322843874.db2.gz NPLGUEIJFMOHMZ-LBPRGKRZSA-N 0 0 221.344 3.647 10 0 BHAERN COCC[C@@H](C)Nc1ccccc1C(C)C ZINC000045017548 322844013 /nfs/dbraw/zinc/84/40/13/322844013.db2.gz NPLGUEIJFMOHMZ-GFCCVEGCSA-N 0 0 221.344 3.647 10 0 BHAERN COCC[C@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000045017593 384664343 /nfs/dbraw/zinc/66/43/43/384664343.db2.gz ZIJVFMCDPJHMFO-VIFPVBQESA-N 0 0 247.260 3.542 10 0 BHAERN COCC[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000045017595 322843979 /nfs/dbraw/zinc/84/39/79/322843979.db2.gz ZIJVFMCDPJHMFO-SECBINFHSA-N 0 0 247.260 3.542 10 0 BHAERN CCn1cc(-c2cc[nH]c2)c2ccccc21 ZINC000045165731 172149015 /nfs/dbraw/zinc/14/90/15/172149015.db2.gz JJGAILFXWXOGIJ-UHFFFAOYSA-N 0 0 210.280 3.656 10 0 BHAERN Cc1nc(Br)sc1C(C)(C)C ZINC000045205535 411144537 /nfs/dbraw/zinc/14/45/37/411144537.db2.gz UNSWKQMITZBYSX-UHFFFAOYSA-N 0 0 234.162 3.512 10 0 BHAERN CCCC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000045235288 323838691 /nfs/dbraw/zinc/83/86/91/323838691.db2.gz SPTCSEKFFFRMLT-LBPRGKRZSA-N 0 0 247.382 3.961 10 0 BHAERN CCCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000045235290 387971018 /nfs/dbraw/zinc/97/10/18/387971018.db2.gz SPTCSEKFFFRMLT-GFCCVEGCSA-N 0 0 247.382 3.961 10 0 BHAERN Cc1ccc(Cl)c2nc(Cl)sc21 ZINC000045235714 178661514 /nfs/dbraw/zinc/66/15/14/178661514.db2.gz LELHGIDYEICASF-UHFFFAOYSA-N 0 0 218.108 3.912 10 0 BHAERN Cc1ccc2sc(C(F)(F)F)nc2c1 ZINC000045235758 343526229 /nfs/dbraw/zinc/52/62/29/343526229.db2.gz UEXQSVDIRDGSHR-UHFFFAOYSA-N 0 0 217.215 3.624 10 0 BHAERN Fc1ccc2nc(-c3ccco3)sc2c1 ZINC000045235964 343526362 /nfs/dbraw/zinc/52/63/62/343526362.db2.gz FUGFTNNWHUIFEJ-UHFFFAOYSA-N 0 0 219.240 3.695 10 0 BHAERN C[C@@H](F)Sc1nc2ccccc2s1 ZINC000045235997 343526242 /nfs/dbraw/zinc/52/62/42/343526242.db2.gz WMULAASIZYWFJR-LURJTMIESA-N 0 0 213.302 3.704 10 0 BHAERN C[C@H](F)Sc1nc2ccccc2s1 ZINC000045235999 343526023 /nfs/dbraw/zinc/52/60/23/343526023.db2.gz WMULAASIZYWFJR-ZCFIWIBFSA-N 0 0 213.302 3.704 10 0 BHAERN Clc1cccc2nc(C3CC3)sc21 ZINC000045236139 343526394 /nfs/dbraw/zinc/52/63/94/343526394.db2.gz GRAZNSGGFYHOHK-UHFFFAOYSA-N 0 0 209.701 3.827 10 0 BHAERN C=CSc1ccc2sc(C)nc2c1 ZINC000045236228 188297531 /nfs/dbraw/zinc/29/75/31/188297531.db2.gz MPPUSQZFIRTRGL-UHFFFAOYSA-N 0 0 207.323 3.840 10 0 BHAERN Cc1ccc2sc(C(C)(C)C)nc2c1 ZINC000045236241 343526366 /nfs/dbraw/zinc/52/63/66/343526366.db2.gz KASMIUAEGYEKBK-UHFFFAOYSA-N 0 0 205.326 3.902 10 0 BHAERN FC(F)(Cl)c1nc2ccccc2s1 ZINC000045236432 180877430 /nfs/dbraw/zinc/87/74/30/180877430.db2.gz VHSLOVYELUNGOA-UHFFFAOYSA-N 0 0 219.643 3.584 10 0 BHAERN CC(C)(Cl)c1nc2ccccc2s1 ZINC000045236458 384384435 /nfs/dbraw/zinc/38/44/35/384384435.db2.gz VGYAHMGVLVXWGB-UHFFFAOYSA-N 0 0 211.717 3.770 10 0 BHAERN CC(C)(C)OCc1nc2ccccc2s1 ZINC000045236483 322912176 /nfs/dbraw/zinc/91/21/76/322912176.db2.gz WTSMWMZLOKRYNJ-UHFFFAOYSA-N 0 0 221.325 3.611 10 0 BHAERN CCCCCc1nc2ccc(O)cc2s1 ZINC000045236554 343526759 /nfs/dbraw/zinc/52/67/59/343526759.db2.gz MCPCAFPDQAXXIO-UHFFFAOYSA-N 0 0 221.325 3.735 10 0 BHAERN COc1ccc2nc(CC(C)C)sc2c1 ZINC000045236555 175228853 /nfs/dbraw/zinc/22/88/53/175228853.db2.gz LBYZGAXAMHYTJX-UHFFFAOYSA-N 0 0 221.325 3.503 10 0 BHAERN COc1ccc2nc(C(C)(C)C)sc2c1 ZINC000045236557 175227240 /nfs/dbraw/zinc/22/72/40/175227240.db2.gz NAWDYLRDWHZLPA-UHFFFAOYSA-N 0 0 221.325 3.602 10 0 BHAERN CCCc1cccc2sc(Cl)nc21 ZINC000045236562 343526752 /nfs/dbraw/zinc/52/67/52/343526752.db2.gz QDQVWTYVFYTZTD-UHFFFAOYSA-N 0 0 211.717 3.902 10 0 BHAERN CCC=C=CN1CSc2ccccc21 ZINC000045236693 343526781 /nfs/dbraw/zinc/52/67/81/343526781.db2.gz YFMBMLUISHHWRY-UHFFFAOYSA-N 0 0 203.310 3.635 10 0 BHAERN CC(C)/C=C/c1nc2ccccc2s1 ZINC000045236868 187269129 /nfs/dbraw/zinc/26/91/29/187269129.db2.gz ZEZVADBKZJSLJX-BQYQJAHWSA-N 0 0 203.310 3.966 10 0 BHAERN Cc1cc2sc(Cl)nc2cc1Cl ZINC000045236894 178309531 /nfs/dbraw/zinc/30/95/31/178309531.db2.gz SSSAVIDRGVJMEB-UHFFFAOYSA-N 0 0 218.108 3.912 10 0 BHAERN CCC/C=C/Oc1nc2ccccc2s1 ZINC000045236968 187269448 /nfs/dbraw/zinc/26/94/48/187269448.db2.gz VOQQJAZSKURMJK-RMKNXTFCSA-N 0 0 219.309 3.989 10 0 BHAERN CC(C)=CCc1nc2ccccc2s1 ZINC000045237033 187951864 /nfs/dbraw/zinc/95/18/64/187951864.db2.gz NIXUNXASGTZXIG-UHFFFAOYSA-N 0 0 203.310 3.805 10 0 BHAERN Cc1nc2ccc(C(C)(C)C)cc2s1 ZINC000045237072 180089620 /nfs/dbraw/zinc/08/96/20/180089620.db2.gz QXSHQAKXSYPOPQ-UHFFFAOYSA-N 0 0 205.326 3.902 10 0 BHAERN CCSCCc1nc2ccccc2s1 ZINC000045237085 170643996 /nfs/dbraw/zinc/64/39/96/170643996.db2.gz JSONGKFMGCLGFV-UHFFFAOYSA-N 0 0 223.366 3.592 10 0 BHAERN Cc1nc2c(s1)c(Cl)ccc2Cl ZINC000045237134 180064523 /nfs/dbraw/zinc/06/45/23/180064523.db2.gz VWJOZPVACNMCMB-UHFFFAOYSA-N 0 0 218.108 3.912 10 0 BHAERN CC(C)=CCOc1nc2ccccc2s1 ZINC000045237239 384382756 /nfs/dbraw/zinc/38/27/56/384382756.db2.gz HBKHIUZDVVFBKM-UHFFFAOYSA-N 0 0 219.309 3.641 10 0 BHAERN c1cc(-c2nc3ccccc3s2)co1 ZINC000045237289 183462722 /nfs/dbraw/zinc/46/27/22/183462722.db2.gz GTWBSRSFWXKFPH-UHFFFAOYSA-N 0 0 201.250 3.556 10 0 BHAERN C1=C(c2nc3ccccc3s2)CCC1 ZINC000045237399 384384012 /nfs/dbraw/zinc/38/40/12/384384012.db2.gz NVRNLDLCMNJVJO-UHFFFAOYSA-N 0 0 201.294 3.864 10 0 BHAERN CNc1nc2ccc(C(C)(C)C)cc2s1 ZINC000045237465 173488094 /nfs/dbraw/zinc/48/80/94/173488094.db2.gz ASGWOUWCCQXADF-UHFFFAOYSA-N 0 0 220.341 3.636 10 0 BHAERN C/C(Cl)=C\c1nc2ccccc2s1 ZINC000045237479 187607571 /nfs/dbraw/zinc/60/75/71/187607571.db2.gz BSPIZXPLZZSJNP-VOTSOKGWSA-N 0 0 209.701 3.896 10 0 BHAERN CCC(C)(C)c1nc2ccc(N)cc2s1 ZINC000045237520 168307337 /nfs/dbraw/zinc/30/73/37/168307337.db2.gz GJMVETUYLODSDA-UHFFFAOYSA-N 0 0 220.341 3.566 10 0 BHAERN CCC(CC)c1nc2ccc(N)cc2s1 ZINC000045237522 384383642 /nfs/dbraw/zinc/38/36/42/384383642.db2.gz DIVDJIVPWITSMM-UHFFFAOYSA-N 0 0 220.341 3.782 10 0 BHAERN CCCCCc1nc2ccc(N)cc2s1 ZINC000045237531 168749957 /nfs/dbraw/zinc/74/99/57/168749957.db2.gz LQDLRRXXJFRBPE-UHFFFAOYSA-N 0 0 220.341 3.611 10 0 BHAERN Clc1ccc2nc(C3CC3)sc2c1 ZINC000045237638 343526853 /nfs/dbraw/zinc/52/68/53/343526853.db2.gz UYUSKDWKLPIIKT-UHFFFAOYSA-N 0 0 209.701 3.827 10 0 BHAERN C/C=C\CSc1nc2ccccc2s1 ZINC000045237681 343526849 /nfs/dbraw/zinc/52/68/49/343526849.db2.gz XUMHHDLGNBREGC-IHWYPQMZSA-N 0 0 221.350 3.965 10 0 BHAERN c1ccc2sc(C3CCCC3)nc2c1 ZINC000045237746 384383884 /nfs/dbraw/zinc/38/38/84/384383884.db2.gz AJVKUDDCRQQPBY-UHFFFAOYSA-N 0 0 203.310 3.954 10 0 BHAERN c1nc2ccc3c(c2s1)SC=CC=N3 ZINC000045237960 343527077 /nfs/dbraw/zinc/52/70/77/343527077.db2.gz MZZNPIUTPZQQHP-UHFFFAOYSA-N 0 0 218.306 3.618 10 0 BHAERN C/C(F)=C(/F)c1nc2ccccc2s1 ZINC000045238007 187778749 /nfs/dbraw/zinc/77/87/49/187778749.db2.gz XKDWGZURRVDLTF-TWGQIWQCSA-N 0 0 211.236 3.924 10 0 BHAERN CC(C)(C)Cc1nc2ccccc2s1 ZINC000045238014 384384156 /nfs/dbraw/zinc/38/41/56/384384156.db2.gz SSVYWUJFTDTFEW-UHFFFAOYSA-N 0 0 205.326 3.885 10 0 BHAERN CCc1nc2ccc(SC)cc2s1 ZINC000045238018 172011628 /nfs/dbraw/zinc/01/16/28/172011628.db2.gz GQZGOQTWAKMAPA-UHFFFAOYSA-N 0 0 209.339 3.581 10 0 BHAERN CSc1nc2c(cccc2Cl)s1 ZINC000045238160 343527108 /nfs/dbraw/zinc/52/71/08/343527108.db2.gz IRHWNQCWGHIQEE-UHFFFAOYSA-N 0 0 215.730 3.672 10 0 BHAERN C/C=C\C=C\c1nc2ccccc2s1 ZINC000045238204 343527223 /nfs/dbraw/zinc/52/72/23/343527223.db2.gz BFWCCPXKLYHMMP-SEEXIRIMSA-N 0 0 201.294 3.886 10 0 BHAERN Cc1cccc2sc(-c3ccco3)nc21 ZINC000045238206 179234435 /nfs/dbraw/zinc/23/44/35/179234435.db2.gz SMXTXZKNCUTREC-UHFFFAOYSA-N 0 0 215.277 3.865 10 0 BHAERN Cc1ccc2nc(-c3ccco3)sc2c1 ZINC000045238208 343527066 /nfs/dbraw/zinc/52/70/66/343527066.db2.gz YUNHSYGZUPHMMG-UHFFFAOYSA-N 0 0 215.277 3.865 10 0 BHAERN CC(C)CNc1ccc(O)c2ccccc12 ZINC000045288081 167017572 /nfs/dbraw/zinc/01/75/72/167017572.db2.gz CVCVCGFWHZQVHE-UHFFFAOYSA-N 0 0 215.296 3.613 10 0 BHAERN Clc1cnc2[nH]cc(-c3ccccc3)c2c1 ZINC000045318871 352593915 /nfs/dbraw/zinc/59/39/15/352593915.db2.gz BEGKFGVLOHUTSZ-UHFFFAOYSA-N 0 0 228.682 3.883 10 0 BHAERN FC(F)(F)COc1cc2ccccc2s1 ZINC000045354527 180884957 /nfs/dbraw/zinc/88/49/57/180884957.db2.gz ZCLCVVOOMVLZIO-UHFFFAOYSA-N 0 0 232.226 3.842 10 0 BHAERN S=c1[nH]ccc2c1ccn2Cc1ccccc1 ZINC000045795891 183314544 /nfs/dbraw/zinc/31/45/44/183314544.db2.gz LRDRHGVAACMLOO-UHFFFAOYSA-N 0 0 240.331 3.747 10 0 BHAERN CC/C=C/c1ccc(OCC)c(OC)c1 ZINC000045805716 384407934 /nfs/dbraw/zinc/40/79/34/384407934.db2.gz LKXLYHYPRIGJCE-VOTSOKGWSA-N 0 0 206.285 3.517 10 0 BHAERN CCOC1=CC[C@H](CCc2ccccc2)C1 ZINC000045805966 170320854 /nfs/dbraw/zinc/32/08/54/170320854.db2.gz CRMASSDATGASGA-AWEZNQCLSA-N 0 0 216.324 3.950 10 0 BHAERN CCOC1=CC[C@@H](CCc2ccccc2)C1 ZINC000045805970 170320797 /nfs/dbraw/zinc/32/07/97/170320797.db2.gz CRMASSDATGASGA-CQSZACIVSA-N 0 0 216.324 3.950 10 0 BHAERN CCOC1=CCC[C@@H]1CCc1ccccc1 ZINC000045805973 170320936 /nfs/dbraw/zinc/32/09/36/170320936.db2.gz OCVRMERVZZPVSL-CQSZACIVSA-N 0 0 216.324 3.950 10 0 BHAERN CCOC1=CCC[C@H]1CCc1ccccc1 ZINC000045805977 170320654 /nfs/dbraw/zinc/32/06/54/170320654.db2.gz OCVRMERVZZPVSL-AWEZNQCLSA-N 0 0 216.324 3.950 10 0 BHAERN CCc1cc2c3ccccc3[nH]c2c(C)n1 ZINC000045806215 343534993 /nfs/dbraw/zinc/53/49/93/343534993.db2.gz ZUDVCBXDHGAKBX-UHFFFAOYSA-N 0 0 210.280 3.587 10 0 BHAERN CCc1ccc(-c2cnc3[nH]ccc3c2)cc1 ZINC000045806364 171778760 /nfs/dbraw/zinc/77/87/60/171778760.db2.gz KGUUPFCQXWNMAK-UHFFFAOYSA-N 0 0 222.291 3.792 10 0 BHAERN CC(=S)N(C)c1cccc2ccccc21 ZINC000045817727 188297322 /nfs/dbraw/zinc/29/73/22/188297322.db2.gz RSSUIBBBLAEAOV-UHFFFAOYSA-N 0 0 215.321 3.623 10 0 BHAERN Cc1ccc(Sc2ccccc2C=O)cc1 ZINC000045895561 178830861 /nfs/dbraw/zinc/83/08/61/178830861.db2.gz CGRJMMFIUBEQQO-UHFFFAOYSA-N 0 0 228.316 3.959 10 0 BHAERN CCOC(=O)c1cnc2ccc(C(C)C)cc2c1 ZINC000045921521 170302369 /nfs/dbraw/zinc/30/23/69/170302369.db2.gz ANDZXYVOXQZZDO-UHFFFAOYSA-N 0 0 243.306 3.535 10 0 BHAERN Cc1c(Cl)ccc2c(=S)cc[nH]c12 ZINC000045928694 177597266 /nfs/dbraw/zinc/59/72/66/177597266.db2.gz GAQDHACLEMUHNX-UHFFFAOYSA-N 0 0 209.701 3.859 10 0 BHAERN CC(C)(C)OC(=O)Nc1cc2ccccc2[nH]1 ZINC000045949751 359746043 /nfs/dbraw/zinc/74/60/43/359746043.db2.gz KSBPWHKOKZZKKY-UHFFFAOYSA-N 0 0 232.283 3.515 10 0 BHAERN Cc1ccc(-c2nc(C)c(C)c(=S)[nH]2)cc1 ZINC000045956097 178333419 /nfs/dbraw/zinc/33/34/19/178333419.db2.gz GQDQIGUWEGMTIZ-UHFFFAOYSA-N 0 0 230.336 3.731 10 0 BHAERN CC(C)c1cc(=S)[nH]c(-c2ccccc2F)n1 ZINC000045956134 167578464 /nfs/dbraw/zinc/57/84/64/167578464.db2.gz SRPVEHUOHOXDRK-UHFFFAOYSA-N 0 0 248.326 3.695 10 0 BHAERN CC(C)c1cc(=S)[nH]c(-c2ccc(F)cc2)n1 ZINC000045956301 167577825 /nfs/dbraw/zinc/57/78/25/167577825.db2.gz HQAQOAKSYLBBED-UHFFFAOYSA-N 0 0 248.326 3.695 10 0 BHAERN C[C@H](NC(=O)C(C)(C)C)c1ccc(Cl)s1 ZINC000046294136 176786212 /nfs/dbraw/zinc/78/62/12/176786212.db2.gz UHEKCLRBGIWOOP-ZETCQYMHSA-N 0 0 245.775 3.625 10 0 BHAERN C[C@@H](NC(=O)C(C)(C)C)c1ccc(Cl)s1 ZINC000046294137 383831015 /nfs/dbraw/zinc/83/10/15/383831015.db2.gz UHEKCLRBGIWOOP-SSDOTTSWSA-N 0 0 245.775 3.625 10 0 BHAERN Cc1ccc2c(Nc3ccccc3)cc(C)nc2n1 ZINC000047162315 178941982 /nfs/dbraw/zinc/94/19/82/178941982.db2.gz OMGLCOONYUYPBE-UHFFFAOYSA-N 0 0 249.317 3.990 10 0 BHAERN FC(F)c1cccc(OC(F)(F)F)c1 ZINC000047203468 180910612 /nfs/dbraw/zinc/91/06/12/180910612.db2.gz AWIGHSPVJBYMEK-UHFFFAOYSA-N 0 0 212.117 3.523 10 0 BHAERN Fc1cccc(-c2cc(Cl)cnc2F)c1 ZINC000047203723 632948349 /nfs/dbraw/zinc/94/83/49/632948349.db2.gz AEJDCIGVRIOEIW-UHFFFAOYSA-N 0 0 225.625 3.680 10 0 BHAERN Fc1ccc(-c2cc(Cl)cnc2F)cc1 ZINC000047203725 632949093 /nfs/dbraw/zinc/94/90/93/632949093.db2.gz PZOCATLSKIUXCR-UHFFFAOYSA-N 0 0 225.625 3.680 10 0 BHAERN Fc1ccccc1-c1ncccc1Cl ZINC000047203882 181009045 /nfs/dbraw/zinc/00/90/45/181009045.db2.gz SLQUZZXWLZCYSX-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1ccc(-c2ncccc2Cl)cc1 ZINC000047203886 180959551 /nfs/dbraw/zinc/95/95/51/180959551.db2.gz XUWFWHJZZONRCE-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1ccccc1-c1ccc(Cl)cn1 ZINC000047203887 181009672 /nfs/dbraw/zinc/00/96/72/181009672.db2.gz YJYWNZMYLRJKFJ-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1ccccc1-c1cccc(Cl)n1 ZINC000047203893 181009491 /nfs/dbraw/zinc/00/94/91/181009491.db2.gz ORYMVILLVSDPNF-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1ccc(-c2cccc(Cl)n2)cc1 ZINC000047203897 180957370 /nfs/dbraw/zinc/95/73/70/180957370.db2.gz WREPYUIBTYEMRR-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1ccccc1-c1cnccc1Cl ZINC000047203899 181008941 /nfs/dbraw/zinc/00/89/41/181008941.db2.gz RHGVDAVYCRJZOY-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1ccccc1-c1cncc(Cl)c1 ZINC000047203905 181008871 /nfs/dbraw/zinc/00/88/71/181008871.db2.gz QXQPCUIOVNOGMD-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1ccccc1-c1ccnc(Cl)c1 ZINC000047203910 181009160 /nfs/dbraw/zinc/00/91/60/181009160.db2.gz QUPUFCSIWJPRKI-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1ccccc1-c1ccncc1Cl ZINC000047203913 181008816 /nfs/dbraw/zinc/00/88/16/181008816.db2.gz LQSHNHBUQMROSS-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN COc1cccc(-c2cccc(F)c2)c1F ZINC000047204071 643179111 /nfs/dbraw/zinc/17/91/11/643179111.db2.gz KZAYUMSWHZIXNN-UHFFFAOYSA-N 0 0 220.218 3.640 10 0 BHAERN COc1cccc(-c2ccc(F)cc2)c1F ZINC000047204072 643179598 /nfs/dbraw/zinc/17/95/98/643179598.db2.gz DZXLRIDZEKVOHE-UHFFFAOYSA-N 0 0 220.218 3.640 10 0 BHAERN COc1ccc(F)c(-c2cccc(F)c2)c1 ZINC000047204074 342901478 /nfs/dbraw/zinc/90/14/78/342901478.db2.gz VMMBKVQEXWTTLD-UHFFFAOYSA-N 0 0 220.218 3.640 10 0 BHAERN COc1ccc(-c2ccc(F)cc2)cc1F ZINC000047204080 641635862 /nfs/dbraw/zinc/63/58/62/641635862.db2.gz PZNGJBIQZDVDJC-UHFFFAOYSA-N 0 0 220.218 3.640 10 0 BHAERN COc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000047204082 641635695 /nfs/dbraw/zinc/63/56/95/641635695.db2.gz JUQFKGANZUOEPU-UHFFFAOYSA-N 0 0 220.218 3.640 10 0 BHAERN COc1ccc(-c2ccc(F)cc2)c(F)c1 ZINC000047204083 641636115 /nfs/dbraw/zinc/63/61/15/641636115.db2.gz XPKWWJVQTYOFHE-UHFFFAOYSA-N 0 0 220.218 3.640 10 0 BHAERN Fc1ccccc1-c1cccc2cc[nH]c21 ZINC000047204647 181008975 /nfs/dbraw/zinc/00/89/75/181008975.db2.gz DARFBTQKWHRTHQ-UHFFFAOYSA-N 0 0 211.239 3.974 10 0 BHAERN Fc1cccc(-c2cccc3cc[nH]c32)c1 ZINC000047204648 641635137 /nfs/dbraw/zinc/63/51/37/641635137.db2.gz HSQNQRNDNDIYBO-UHFFFAOYSA-N 0 0 211.239 3.974 10 0 BHAERN O=Cc1c[nH]c2cc(-c3ccccc3F)ccc12 ZINC000047204664 386532456 /nfs/dbraw/zinc/53/24/56/386532456.db2.gz RAGROCACFFXSCY-UHFFFAOYSA-N 0 0 239.249 3.787 10 0 BHAERN O=Cc1c[nH]c2c1cccc2-c1ccccc1F ZINC000047204667 386532546 /nfs/dbraw/zinc/53/25/46/386532546.db2.gz HVTOHJJIPAMWPJ-UHFFFAOYSA-N 0 0 239.249 3.787 10 0 BHAERN O=C1CCc2cc(-c3ccccc3F)ccc21 ZINC000047206386 342901541 /nfs/dbraw/zinc/90/15/41/342901541.db2.gz BRNOLHNSSFRVEC-UHFFFAOYSA-N 0 0 226.250 3.622 10 0 BHAERN O=C1CCc2cc(-c3cccc(F)c3)ccc21 ZINC000047206388 342901412 /nfs/dbraw/zinc/90/14/12/342901412.db2.gz KECHCCYKIGCTDK-UHFFFAOYSA-N 0 0 226.250 3.622 10 0 BHAERN Oc1ccc(-c2ccccc2F)cc1Cl ZINC000047206808 183264836 /nfs/dbraw/zinc/26/48/36/183264836.db2.gz VAPPHRAUOINSEG-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Oc1cc(-c2cccc(F)c2)ccc1Cl ZINC000047206812 183254296 /nfs/dbraw/zinc/25/42/96/183254296.db2.gz GOQWZRUBRNEYLI-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Oc1cc(-c2ccc(F)cc2)ccc1Cl ZINC000047206814 183254094 /nfs/dbraw/zinc/25/40/94/183254094.db2.gz TZGZGBPFJVRLEQ-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Nc1cc(-c2ccccc2)cc(C(F)(F)F)c1 ZINC000047207294 641637794 /nfs/dbraw/zinc/63/77/94/641637794.db2.gz YEWWIUNSWYTEFC-UHFFFAOYSA-N 0 0 237.224 3.955 10 0 BHAERN Fc1cnc(Cl)c(-c2ccccc2)c1 ZINC000047207310 181016890 /nfs/dbraw/zinc/01/68/90/181016890.db2.gz TXWLGCVSPXBBFM-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN Fc1cnc(-c2ccccc2)c(Cl)c1 ZINC000047207314 181017136 /nfs/dbraw/zinc/01/71/36/181017136.db2.gz OHKUBDXVOMAEFH-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN O=Cc1cc(-c2ccccc2)ccc1Cl ZINC000047207320 641637206 /nfs/dbraw/zinc/63/72/06/641637206.db2.gz XDPUBYOQMNZLGG-UHFFFAOYSA-N 0 0 216.667 3.820 10 0 BHAERN Cc1ccnc(Cl)c1-c1ccccc1 ZINC000047207356 343559227 /nfs/dbraw/zinc/55/92/27/343559227.db2.gz OUNUAFCYJBCRDJ-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cc(Cl)ncc1-c1ccccc1 ZINC000047207358 178072409 /nfs/dbraw/zinc/07/24/09/178072409.db2.gz HGGBRNDIABCGNR-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cnc(Cl)c(-c2ccccc2)c1 ZINC000047207360 179617148 /nfs/dbraw/zinc/61/71/48/179617148.db2.gz PHDMGAMYDVOOOR-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1nc(Cl)ccc1-c1ccccc1 ZINC000047207362 179990235 /nfs/dbraw/zinc/99/02/35/179990235.db2.gz MWDJKVUBLOZOTK-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccnc(-c2ccccc2)c1Cl ZINC000047207364 179415934 /nfs/dbraw/zinc/41/59/34/179415934.db2.gz VDEVWLOHSMMUSC-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cnc(-c2ccccc2)c(Cl)c1 ZINC000047207366 188297637 /nfs/dbraw/zinc/29/76/37/188297637.db2.gz JIHDJVLBNUGKHB-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cc(Cl)cnc1-c1ccccc1 ZINC000047207370 178070599 /nfs/dbraw/zinc/07/05/99/178070599.db2.gz JAMAPKYGLLKMRF-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cc(-c2ccccc2)ncc1Cl ZINC000047207372 177685748 /nfs/dbraw/zinc/68/57/48/177685748.db2.gz HJBMLZKQIMOORZ-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN COc1cccc(-c2ccccc2)c1F ZINC000047207631 641635641 /nfs/dbraw/zinc/63/56/41/641635641.db2.gz VARNVZNSCHNTJI-UHFFFAOYSA-N 0 0 202.228 3.501 10 0 BHAERN COc1ccc(-c2ccccc2)c(F)c1 ZINC000047207633 641635778 /nfs/dbraw/zinc/63/57/78/641635778.db2.gz RXYOAIUFEXPFRD-UHFFFAOYSA-N 0 0 202.228 3.501 10 0 BHAERN FC(F)(F)c1cccc(-c2cccnc2)c1 ZINC000047212484 384443333 /nfs/dbraw/zinc/44/33/33/384443333.db2.gz WWTZXDQKDIXVBU-UHFFFAOYSA-N 0 0 223.197 3.767 10 0 BHAERN Cc1cccc(Cl)c1-c1cccnc1 ZINC000047216707 179108342 /nfs/dbraw/zinc/10/83/42/179108342.db2.gz SNSJFTJZAXXLIT-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cccc(Cl)c1-c1ccncc1 ZINC000047216709 179107597 /nfs/dbraw/zinc/10/75/97/179107597.db2.gz WOOKDVFFCDLRCX-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccc(Cl)cc1-c1ccncc1 ZINC000047216712 178661264 /nfs/dbraw/zinc/66/12/64/178661264.db2.gz ODFGAJCNDSRLFT-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cc(Cl)ccc1-c1cccnc1 ZINC000047216714 187607441 /nfs/dbraw/zinc/60/74/41/187607441.db2.gz AXWODZOIVKWDHK-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cc(Cl)ccc1-c1ccncc1 ZINC000047216716 178064781 /nfs/dbraw/zinc/06/47/81/178064781.db2.gz UWPZWMFEGINAQW-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1c(Cl)cccc1-c1ccncc1 ZINC000047216718 343559173 /nfs/dbraw/zinc/55/91/73/343559173.db2.gz AQGAHHDWEJZXKG-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccc(Cl)c(-c2cccnc2)c1 ZINC000047216724 187434656 /nfs/dbraw/zinc/43/46/56/187434656.db2.gz OFBKYZFCAFPVPA-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccc(Cl)c(-c2ccncc2)c1 ZINC000047216726 188480646 /nfs/dbraw/zinc/48/06/46/188480646.db2.gz NFMDETMLMXFXRV-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cc(Cl)cc(-c2cccnc2)c1 ZINC000047216728 178064018 /nfs/dbraw/zinc/06/40/18/178064018.db2.gz BGPSZUDNFKFAFT-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cc(Cl)cc(-c2ccncc2)c1 ZINC000047216730 178063637 /nfs/dbraw/zinc/06/36/37/178063637.db2.gz POFGXNQOEPNFNZ-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccc(-c2cccnc2)cc1Cl ZINC000047216732 178327494 /nfs/dbraw/zinc/32/74/94/178327494.db2.gz PZROYSIXPXHYLD-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccc(-c2ccncc2)cc1Cl ZINC000047216734 178327917 /nfs/dbraw/zinc/32/79/17/178327917.db2.gz RRWPGPSMUKCGLI-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccc(-c2cccnc2)c(Cl)c1 ZINC000047216736 178327292 /nfs/dbraw/zinc/32/72/92/178327292.db2.gz ZQMUPPUYOSIBFB-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccc(-c2ccncc2)c(Cl)c1 ZINC000047216738 178328133 /nfs/dbraw/zinc/32/81/33/178328133.db2.gz RPFNXPJOFGWPEL-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cc(-c2ccncc2)ccc1Cl ZINC000047216742 177687633 /nfs/dbraw/zinc/68/76/33/177687633.db2.gz GGRMSGBQDPOBKV-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Fc1ccc(C(F)(F)F)c(-c2ccncc2)c1 ZINC000047216772 355367723 /nfs/dbraw/zinc/36/77/23/355367723.db2.gz ULHUAVIZGLUFCX-UHFFFAOYSA-N 0 0 241.187 3.907 10 0 BHAERN Fc1ccc(-c2ccncc2)c(C(F)(F)F)c1 ZINC000047216775 342830126 /nfs/dbraw/zinc/83/01/26/342830126.db2.gz NANCNTPXPCTWEP-UHFFFAOYSA-N 0 0 241.187 3.907 10 0 BHAERN Fc1cccc(-c2ccncc2)c1C(F)(F)F ZINC000047216778 342830313 /nfs/dbraw/zinc/83/03/13/342830313.db2.gz HKXUWKFKQYXXAT-UHFFFAOYSA-N 0 0 241.187 3.907 10 0 BHAERN Fc1cc(C(F)(F)F)ccc1-c1cccnc1 ZINC000047216794 643580499 /nfs/dbraw/zinc/58/04/99/643580499.db2.gz FUIAUEKXBAYMPU-UHFFFAOYSA-N 0 0 241.187 3.907 10 0 BHAERN Fc1cc(C(F)(F)F)ccc1-c1ccncc1 ZINC000047216795 643579344 /nfs/dbraw/zinc/57/93/44/643579344.db2.gz VBQSOERCXLGOHO-UHFFFAOYSA-N 0 0 241.187 3.907 10 0 BHAERN Fc1ccc(-c2cccnc2)cc1C(F)(F)F ZINC000047216797 387151921 /nfs/dbraw/zinc/15/19/21/387151921.db2.gz BJSQHGIIJFJWRK-UHFFFAOYSA-N 0 0 241.187 3.907 10 0 BHAERN FC(F)(F)Oc1ccccc1-c1cccnc1 ZINC000047216946 342902307 /nfs/dbraw/zinc/90/23/07/342902307.db2.gz WOJCTQPFHWKYKQ-UHFFFAOYSA-N 0 0 239.196 3.647 10 0 BHAERN CC(=O)[C@H](C)Oc1ccc(Cl)c2ccccc12 ZINC000047822330 188124778 /nfs/dbraw/zinc/12/47/78/188124778.db2.gz ZUQQVSSRGYLATI-JTQLQIEISA-N 0 0 248.709 3.850 10 0 BHAERN CC(=O)[C@@H](C)Oc1ccc(Cl)c2ccccc12 ZINC000047822333 188124844 /nfs/dbraw/zinc/12/48/44/188124844.db2.gz ZUQQVSSRGYLATI-SNVBAGLBSA-N 0 0 248.709 3.850 10 0 BHAERN CC(C)(C)[C@@H]1CCc2nc(Cl)sc2C1 ZINC000047845020 384468493 /nfs/dbraw/zinc/46/84/93/384468493.db2.gz SXFBHLVLKQXWSN-SSDOTTSWSA-N 0 0 229.776 3.948 10 0 BHAERN CC(C)(C)[C@H]1CCc2nc(Cl)sc2C1 ZINC000047845021 343566841 /nfs/dbraw/zinc/56/68/41/343566841.db2.gz SXFBHLVLKQXWSN-ZETCQYMHSA-N 0 0 229.776 3.948 10 0 BHAERN CCC[C@@H]1CCc2nc(Cl)sc2C1 ZINC000047845030 384468514 /nfs/dbraw/zinc/46/85/14/384468514.db2.gz CMJHNAHFDDKOEZ-SSDOTTSWSA-N 0 0 215.749 3.702 10 0 BHAERN CCC[C@H]1CCc2nc(Cl)sc2C1 ZINC000047845031 343567078 /nfs/dbraw/zinc/56/70/78/343567078.db2.gz CMJHNAHFDDKOEZ-ZETCQYMHSA-N 0 0 215.749 3.702 10 0 BHAERN c1ccc(N[C@H]2CCCc3ccccc32)nc1 ZINC000047915254 384470346 /nfs/dbraw/zinc/47/03/46/384470346.db2.gz ZBIBOAZQUKPJSN-AWEZNQCLSA-N 0 0 224.307 3.571 10 0 BHAERN c1ccc(N[C@@H]2CCCc3ccccc32)nc1 ZINC000047915256 384470589 /nfs/dbraw/zinc/47/05/89/384470589.db2.gz ZBIBOAZQUKPJSN-CQSZACIVSA-N 0 0 224.307 3.571 10 0 BHAERN Cc1ccccc1CNc1nncc2ccccc21 ZINC000047948241 179285734 /nfs/dbraw/zinc/28/57/34/179285734.db2.gz CJECCYVOKOIGMR-UHFFFAOYSA-N 0 0 249.317 3.550 10 0 BHAERN CC[C@@H](C)OCC(=O)c1ccc(C(C)C)cc1 ZINC000048265144 170765178 /nfs/dbraw/zinc/76/51/78/170765178.db2.gz KXKHWFOGMKPMEE-GFCCVEGCSA-N 0 0 234.339 3.808 10 0 BHAERN CC[C@H](C)OCC(=O)c1ccc(C(C)C)cc1 ZINC000048265146 171355022 /nfs/dbraw/zinc/35/50/22/171355022.db2.gz KXKHWFOGMKPMEE-LBPRGKRZSA-N 0 0 234.339 3.808 10 0 BHAERN CC[C@H](C)OCC(=O)c1cc(C)c(C)cc1C ZINC000048265279 171355436 /nfs/dbraw/zinc/35/54/36/171355436.db2.gz IUCMNQSUSMAECJ-ZDUSSCGKSA-N 0 0 234.339 3.610 10 0 BHAERN CC[C@H](C)OCC(=O)c1c(C)cc(C)cc1C ZINC000048265282 171355227 /nfs/dbraw/zinc/35/52/27/171355227.db2.gz NMRAAIHWDYUVJM-ZDUSSCGKSA-N 0 0 234.339 3.610 10 0 BHAERN Cc1ccccc1CNc1ccc(Cl)cc1N ZINC000048265833 179285743 /nfs/dbraw/zinc/28/57/43/179285743.db2.gz AUAOBIJBYNCTFY-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1ccccc1CNc1ccc(N)cc1Cl ZINC000048265836 179285358 /nfs/dbraw/zinc/28/53/58/179285358.db2.gz IPZMKAUEGDEDLW-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1ccccc1CNc1c(N)cccc1Cl ZINC000048265841 179284785 /nfs/dbraw/zinc/28/47/85/179284785.db2.gz QSTQBFYSTMIIKM-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1cccc(CNc2c(N)cccc2Cl)c1 ZINC000048266172 179102102 /nfs/dbraw/zinc/10/21/02/179102102.db2.gz OQAHHDHIAQQJPC-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN c1csc(N[C@H]2CCCc3ccccc32)n1 ZINC000048322039 643596227 /nfs/dbraw/zinc/59/62/27/643596227.db2.gz QKAMOMAEDZFDNK-LBPRGKRZSA-N 0 0 230.336 3.633 10 0 BHAERN Fc1ccccc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000048330443 180955953 /nfs/dbraw/zinc/95/59/53/180955953.db2.gz STOITCFFTREHJV-UHFFFAOYSA-N 0 0 248.207 3.647 10 0 BHAERN Cc1ccccc1-c1nc2cc(F)c(F)cc2[nH]1 ZINC000048330460 179238322 /nfs/dbraw/zinc/23/83/22/179238322.db2.gz ZULUQHYYLJURDA-UHFFFAOYSA-N 0 0 244.244 3.817 10 0 BHAERN Cc1occc1-c1nc2cc(C)c(C)cc2[nH]1 ZINC000048356730 178300708 /nfs/dbraw/zinc/30/07/08/178300708.db2.gz XIBHPOWDFTVQPJ-UHFFFAOYSA-N 0 0 226.279 3.748 10 0 BHAERN Cc1ccc([C@H](O)CCc2ccccc2)cc1C ZINC000048452640 178913274 /nfs/dbraw/zinc/91/32/74/178913274.db2.gz YPWIDNDJERJVIY-QGZVFWFLSA-N 0 0 240.346 3.970 10 0 BHAERN CC(C)C[C@H]([NH2+]Cc1ccc[nH]1)c1ccccc1 ZINC000048463045 188297948 /nfs/dbraw/zinc/29/79/48/188297948.db2.gz HMUZODRISMDJKO-INIZCTEOSA-N 0 0 242.366 3.892 10 0 BHAERN Cc1cc(C)c(NC(=O)N[C@@H](C)C(C)C)c(C)c1 ZINC000048468810 187269225 /nfs/dbraw/zinc/26/92/25/187269225.db2.gz MVMKHMAJXJVYRX-ZDUSSCGKSA-N 0 0 248.370 3.778 10 0 BHAERN Cc1cc(C)c(NC(=O)N[C@H](C)C(C)C)c(C)c1 ZINC000048468811 384492259 /nfs/dbraw/zinc/49/22/59/384492259.db2.gz MVMKHMAJXJVYRX-CYBMUJFWSA-N 0 0 248.370 3.778 10 0 BHAERN CC(C)c1ccc(NC(=O)N[C@@H](C)C(C)C)cc1 ZINC000048469607 411200724 /nfs/dbraw/zinc/20/07/24/411200724.db2.gz RURARKWHGMGUSP-LBPRGKRZSA-N 0 0 248.370 3.976 10 0 BHAERN CC(C)c1ccc(NC(=O)N[C@H](C)C(C)C)cc1 ZINC000048469608 411200428 /nfs/dbraw/zinc/20/04/28/411200428.db2.gz RURARKWHGMGUSP-GFCCVEGCSA-N 0 0 248.370 3.976 10 0 BHAERN CC(C)c1cccc(NC(=O)N[C@@H](C)C(C)C)c1 ZINC000048475449 487919226 /nfs/dbraw/zinc/91/92/26/487919226.db2.gz RYVQHLQESZQWMT-LBPRGKRZSA-N 0 0 248.370 3.976 10 0 BHAERN CC(C)c1cccc(NC(=O)N[C@H](C)C(C)C)c1 ZINC000048475452 487919254 /nfs/dbraw/zinc/91/92/54/487919254.db2.gz RYVQHLQESZQWMT-GFCCVEGCSA-N 0 0 248.370 3.976 10 0 BHAERN Fc1cccc(N[C@H]2CCCc3ccccc32)n1 ZINC000048568195 643601940 /nfs/dbraw/zinc/60/19/40/643601940.db2.gz RKKXJNAIQZYPPS-ZDUSSCGKSA-N 0 0 242.297 3.710 10 0 BHAERN Fc1cccc(N[C@@H]2CCCc3ccccc32)n1 ZINC000048568198 643602151 /nfs/dbraw/zinc/60/21/51/643602151.db2.gz RKKXJNAIQZYPPS-CYBMUJFWSA-N 0 0 242.297 3.710 10 0 BHAERN C/C(=C/C(=O)N[C@@H](C)c1ccccc1C)C1CC1 ZINC000048673631 641697353 /nfs/dbraw/zinc/69/73/53/641697353.db2.gz AATVZUANLUFANC-UKVQZPPCSA-N 0 0 243.350 3.529 10 0 BHAERN c1cc2c(c(OCC3CCCC3)c1)NCCC2 ZINC000048732874 183365049 /nfs/dbraw/zinc/36/50/49/183365049.db2.gz LNAMCFQOSGVGNF-UHFFFAOYSA-N 0 0 231.339 3.614 10 0 BHAERN CCCCCC[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000049069092 168676715 /nfs/dbraw/zinc/67/67/15/168676715.db2.gz VSVXANNIGPUQAD-CQSZACIVSA-N 0 0 247.338 3.982 10 0 BHAERN CCCCCC[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000049069094 168679879 /nfs/dbraw/zinc/67/98/79/168679879.db2.gz VSVXANNIGPUQAD-AWEZNQCLSA-N 0 0 247.338 3.982 10 0 BHAERN Fc1cccc(NCc2c[nH]c3ccccc23)c1 ZINC000049135909 181001582 /nfs/dbraw/zinc/00/15/82/181001582.db2.gz CUZXCKKAJUWUQK-UHFFFAOYSA-N 0 0 240.281 3.919 10 0 BHAERN Fc1ccccc1NCc1c[nH]c2ccccc12 ZINC000049136108 181014668 /nfs/dbraw/zinc/01/46/68/181014668.db2.gz QEVIFTMTGYSJBY-UHFFFAOYSA-N 0 0 240.281 3.919 10 0 BHAERN Cc1ccc([C@H](C)Nc2ccccc2N)s1 ZINC000049153119 178900837 /nfs/dbraw/zinc/90/08/37/178900837.db2.gz JZQFJZLECZTDNM-JTQLQIEISA-N 0 0 232.352 3.812 10 0 BHAERN Cc1cc(C=O)c(C)n1[C@@H](C)Cc1ccsc1 ZINC000049183816 177951834 /nfs/dbraw/zinc/95/18/34/177951834.db2.gz WWWLKBOVIOTPAY-JTQLQIEISA-N 0 0 247.363 3.783 10 0 BHAERN Cc1ccc([C@@H](C)n2c(C)cc(C=O)c2C)s1 ZINC000049183820 178853201 /nfs/dbraw/zinc/85/32/01/178853201.db2.gz MBWCGJIKYHMMKP-GFCCVEGCSA-N 0 0 247.363 3.897 10 0 BHAERN Cc1ccc([C@H](C)n2c(C)cc(C=O)c2C)s1 ZINC000049183822 178902676 /nfs/dbraw/zinc/90/26/76/178902676.db2.gz MBWCGJIKYHMMKP-LBPRGKRZSA-N 0 0 247.363 3.897 10 0 BHAERN Cc1csc(N[C@@H](C)c2ccc(C)s2)n1 ZINC000049184450 179788338 /nfs/dbraw/zinc/78/83/38/179788338.db2.gz HQRYUJPHQJMNBK-VIFPVBQESA-N 0 0 238.381 3.995 10 0 BHAERN Cc1ccc([C@@H](C)Nc2ccc(C)cc2N)o1 ZINC000049193996 178776236 /nfs/dbraw/zinc/77/62/36/178776236.db2.gz HKAZCZTUGLRBKW-LLVKDONJSA-N 0 0 230.311 3.652 10 0 BHAERN Cc1ccc([C@@H](C)Nc2ccc(N)c(C)c2)o1 ZINC000049194042 178851506 /nfs/dbraw/zinc/85/15/06/178851506.db2.gz UNUURECDHRCVEK-LLVKDONJSA-N 0 0 230.311 3.652 10 0 BHAERN Cc1cc(CO)cc(C)c1OCCC(C)(C)C ZINC000049255114 178045443 /nfs/dbraw/zinc/04/54/43/178045443.db2.gz LEGPTVFPVDGGSY-UHFFFAOYSA-N 0 0 236.355 3.611 10 0 BHAERN C[C@H](O)c1cccc(OCCC(C)(C)C)c1 ZINC000049255169 643616719 /nfs/dbraw/zinc/61/67/19/643616719.db2.gz BEWZVTZZLQQCCR-NSHDSACASA-N 0 0 222.328 3.555 10 0 BHAERN C[C@@H](O)c1cccc(OCCC(C)(C)C)c1 ZINC000049255172 643616933 /nfs/dbraw/zinc/61/69/33/643616933.db2.gz BEWZVTZZLQQCCR-LLVKDONJSA-N 0 0 222.328 3.555 10 0 BHAERN Cc1ccc(OCCC(C)(C)C)c([C@@H](C)O)c1 ZINC000049255187 178810932 /nfs/dbraw/zinc/81/09/32/178810932.db2.gz AIPMJESPHWXUTF-GFCCVEGCSA-N 0 0 236.355 3.863 10 0 BHAERN Cc1ccc(C)c(COc2cc(C)ccc2N)c1 ZINC000049256475 178476113 /nfs/dbraw/zinc/47/61/13/178476113.db2.gz VRKDNVPMEISHBF-UHFFFAOYSA-N 0 0 241.334 3.773 10 0 BHAERN Cc1ccc(C)c(COc2cc(N)ccc2C)c1 ZINC000049256493 178476074 /nfs/dbraw/zinc/47/60/74/178476074.db2.gz SVLOZLADXURZPR-UHFFFAOYSA-N 0 0 241.334 3.773 10 0 BHAERN Cc1ccc(C)c(C[C@@]2(O)CCC[C@@H](C)C2)c1 ZINC000049257429 178476909 /nfs/dbraw/zinc/47/69/09/178476909.db2.gz NEQPEYPPYBUXDI-CZUORRHYSA-N 0 0 232.367 3.787 10 0 BHAERN Cc1ccc(C)c(C[C@]2(O)CCCC[C@@H]2C)c1 ZINC000049257433 178476692 /nfs/dbraw/zinc/47/66/92/178476692.db2.gz XTXXOVBVMMRDDV-GOEBONIOSA-N 0 0 232.367 3.787 10 0 BHAERN Cc1ccc(C)c(C[C@@]2(O)CCCC[C@H]2C)c1 ZINC000049257438 178476738 /nfs/dbraw/zinc/47/67/38/178476738.db2.gz XTXXOVBVMMRDDV-ZBFHGGJFSA-N 0 0 232.367 3.787 10 0 BHAERN Cc1ccc(C)c(CC(=O)Cc2ccccc2)c1 ZINC000049257651 178468599 /nfs/dbraw/zinc/46/85/99/178468599.db2.gz ZNGAFQQOUIXKQW-UHFFFAOYSA-N 0 0 238.330 3.658 10 0 BHAERN Cc1ccc(C)c(C[C@H](O)c2ccccc2)c1 ZINC000049257821 178476732 /nfs/dbraw/zinc/47/67/32/178476732.db2.gz WOKFCQFLROGAEZ-INIZCTEOSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1ccc(C)c(C[C@@H](O)c2ccccc2)c1 ZINC000049257823 178476870 /nfs/dbraw/zinc/47/68/70/178476870.db2.gz WOKFCQFLROGAEZ-MRXNPFEDSA-N 0 0 226.319 3.580 10 0 BHAERN Cc1cccc([C@H](O)Cc2cc(C)ccc2C)c1 ZINC000049257836 179201771 /nfs/dbraw/zinc/20/17/71/179201771.db2.gz QZSOLCHOYORPLL-QGZVFWFLSA-N 0 0 240.346 3.888 10 0 BHAERN Cc1cccc([C@@H](O)Cc2cc(C)ccc2C)c1 ZINC000049257838 179188857 /nfs/dbraw/zinc/18/88/57/179188857.db2.gz QZSOLCHOYORPLL-KRWDZBQOSA-N 0 0 240.346 3.888 10 0 BHAERN CCCCOCCNc1ccc(CCC)cc1 ZINC000049262048 168902944 /nfs/dbraw/zinc/90/29/44/168902944.db2.gz UABJEWCVMRGWTN-UHFFFAOYSA-N 0 0 235.371 3.868 10 0 BHAERN Cc1ccc(NCCOCCC(C)C)c(C)c1 ZINC000049265349 178758980 /nfs/dbraw/zinc/75/89/80/178758980.db2.gz JEDMANTYRRPJEH-UHFFFAOYSA-N 0 0 235.371 3.778 10 0 BHAERN Cc1cc(C)cc(NCCOCCC(C)C)c1 ZINC000049265584 177908402 /nfs/dbraw/zinc/90/84/02/177908402.db2.gz QWYOMXPTERCSSO-UHFFFAOYSA-N 0 0 235.371 3.778 10 0 BHAERN Cc1ccc(F)cc1NCCOCCC(C)C ZINC000049265588 178690617 /nfs/dbraw/zinc/69/06/17/178690617.db2.gz STGGLUVKAXYDMU-UHFFFAOYSA-N 0 0 239.334 3.609 10 0 BHAERN Cc1cc(F)ccc1NCCOCCC(C)C ZINC000049265611 178089957 /nfs/dbraw/zinc/08/99/57/178089957.db2.gz OCTBNUTUHDBQKT-UHFFFAOYSA-N 0 0 239.334 3.609 10 0 BHAERN CCc1cccc(NCCOCCC(C)C)c1 ZINC000049265617 171862775 /nfs/dbraw/zinc/86/27/75/171862775.db2.gz YLAIIBPFGKJOJC-UHFFFAOYSA-N 0 0 235.371 3.724 10 0 BHAERN CC(C)c1nc(COc2ccc(O)cc2)cs1 ZINC000049277226 167665230 /nfs/dbraw/zinc/66/52/30/167665230.db2.gz UGZCHVYJGCJXEB-UHFFFAOYSA-N 0 0 249.335 3.551 10 0 BHAERN CC(C)c1nc(COc2cccc(O)c2)cs1 ZINC000049277232 167664937 /nfs/dbraw/zinc/66/49/37/167664937.db2.gz MXACKBIFVHBYEX-UHFFFAOYSA-N 0 0 249.335 3.551 10 0 BHAERN CC[C@H](Nc1nc2ccccc2nc1C)C(C)C ZINC000049303594 322846266 /nfs/dbraw/zinc/84/62/66/322846266.db2.gz SGSYOKVZLIQNHF-LBPRGKRZSA-N 0 0 243.354 3.785 10 0 BHAERN CC[C@@H](Nc1nc2ccccc2nc1C)C(C)C ZINC000049303597 322846111 /nfs/dbraw/zinc/84/61/11/322846111.db2.gz SGSYOKVZLIQNHF-GFCCVEGCSA-N 0 0 243.354 3.785 10 0 BHAERN O=C(Cc1cc(F)cc(F)c1)C1CCCCC1 ZINC000049348191 182032362 /nfs/dbraw/zinc/03/23/62/182032362.db2.gz PHCHQDCNYXRYJI-UHFFFAOYSA-N 0 0 238.277 3.657 10 0 BHAERN Cc1cccc(C(=O)Cc2cc(F)cc(F)c2)c1 ZINC000049348250 179004019 /nfs/dbraw/zinc/00/40/19/179004019.db2.gz BLHDZKFLPUHZSR-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN Cc1ccc(C(=O)Cc2cc(F)cc(F)c2)cc1 ZINC000049348261 188124775 /nfs/dbraw/zinc/12/47/75/188124775.db2.gz OHCWXOVRVCGFPZ-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN Cc1ccccc1C(=O)Cc1cc(F)cc(F)c1 ZINC000049348277 179245416 /nfs/dbraw/zinc/24/54/16/179245416.db2.gz RHBAYXCASRWRMP-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN Cc1cccc([C@H](O)Cc2cc(F)cc(F)c2)c1 ZINC000049348579 179202093 /nfs/dbraw/zinc/20/20/93/179202093.db2.gz HOBMGAMGRUKBMH-OAHLLOKOSA-N 0 0 248.272 3.549 10 0 BHAERN Cc1cccc([C@@H](O)Cc2cc(F)cc(F)c2)c1 ZINC000049348583 179188757 /nfs/dbraw/zinc/18/87/57/179188757.db2.gz HOBMGAMGRUKBMH-HNNXBMFYSA-N 0 0 248.272 3.549 10 0 BHAERN Cc1ccc([C@H](O)Cc2cc(F)cc(F)c2)cc1 ZINC000049348602 187270644 /nfs/dbraw/zinc/27/06/44/187270644.db2.gz VVUCFSCHVMDQHF-OAHLLOKOSA-N 0 0 248.272 3.549 10 0 BHAERN Cc1ccc([C@@H](O)Cc2cc(F)cc(F)c2)cc1 ZINC000049348607 178867366 /nfs/dbraw/zinc/86/73/66/178867366.db2.gz VVUCFSCHVMDQHF-HNNXBMFYSA-N 0 0 248.272 3.549 10 0 BHAERN Cc1ccccc1[C@H](O)Cc1cc(F)cc(F)c1 ZINC000049348634 179345474 /nfs/dbraw/zinc/34/54/74/179345474.db2.gz UJAPPVLWKCGXLJ-OAHLLOKOSA-N 0 0 248.272 3.549 10 0 BHAERN Cc1ccccc1[C@@H](O)Cc1cc(F)cc(F)c1 ZINC000049348638 179325725 /nfs/dbraw/zinc/32/57/25/179325725.db2.gz UJAPPVLWKCGXLJ-HNNXBMFYSA-N 0 0 248.272 3.549 10 0 BHAERN CCCCCC(CCCCC)[NH2+][C@@H](C)C(=O)[O-] ZINC000049357405 168644235 /nfs/dbraw/zinc/64/42/35/168644235.db2.gz ALJHGYSFYQMYMM-LBPRGKRZSA-N 0 0 243.391 3.578 10 0 BHAERN CCc1nc(=S)c2sc3ccccc3c2[nH]1 ZINC000049452897 172000540 /nfs/dbraw/zinc/00/05/40/172000540.db2.gz KEONOGBEDPRFPQ-UHFFFAOYSA-N 0 0 246.360 3.696 10 0 BHAERN CC[C@H](C)n1c(C)c(C)c2c1ncnc2Cl ZINC000049452988 171416230 /nfs/dbraw/zinc/41/62/30/171416230.db2.gz ABOABIOKWRTSID-ZETCQYMHSA-N 0 0 237.734 3.673 10 0 BHAERN C[C@H](Nc1ccc(F)cc1N)c1ccc(F)cc1 ZINC000049505837 176933652 /nfs/dbraw/zinc/93/36/52/176933652.db2.gz WMOTZZBAKTVGIW-VIFPVBQESA-N 0 0 248.276 3.720 10 0 BHAERN Cc1cc(N)ccc1N[C@@H](C)c1ccc(F)cc1 ZINC000049505889 178107755 /nfs/dbraw/zinc/10/77/55/178107755.db2.gz SRPNKTZYHPEDKF-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1cc(N)ccc1N[C@H](C)c1ccc(F)cc1 ZINC000049505891 178107533 /nfs/dbraw/zinc/10/75/33/178107533.db2.gz SRPNKTZYHPEDKF-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN Cc1cc(N[C@@H](C)c2ccc(F)cc2)ccc1N ZINC000049505923 178178096 /nfs/dbraw/zinc/17/80/96/178178096.db2.gz ZQHKELBERZYZTL-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1cc(N[C@H](C)c2ccc(F)cc2)ccc1N ZINC000049505925 178187263 /nfs/dbraw/zinc/18/72/63/178187263.db2.gz ZQHKELBERZYZTL-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN C[C@H](Nc1cc(N)cc(F)c1)c1ccc(F)cc1 ZINC000049506019 176932676 /nfs/dbraw/zinc/93/26/76/176932676.db2.gz GXTJXHKRENOONS-VIFPVBQESA-N 0 0 248.276 3.720 10 0 BHAERN C[C@@H](Nc1cc(N)cc(F)c1)c1ccc(F)cc1 ZINC000049506022 175929283 /nfs/dbraw/zinc/92/92/83/175929283.db2.gz GXTJXHKRENOONS-SECBINFHSA-N 0 0 248.276 3.720 10 0 BHAERN Cc1cc([C@@H](C)Nc2ccc(N)nc2)c(C)s1 ZINC000049506130 178234805 /nfs/dbraw/zinc/23/48/05/178234805.db2.gz ZNBLIWFXUXNDJV-SECBINFHSA-N 0 0 247.367 3.515 10 0 BHAERN Cc1cc([C@H](C)Nc2ccc(N)nc2)c(C)s1 ZINC000049506132 178259688 /nfs/dbraw/zinc/25/96/88/178259688.db2.gz ZNBLIWFXUXNDJV-VIFPVBQESA-N 0 0 247.367 3.515 10 0 BHAERN Cc1cc([C@@H](C)Nc2ccc(N)cn2)c(C)s1 ZINC000049506257 178234848 /nfs/dbraw/zinc/23/48/48/178234848.db2.gz ULPHFTZVSZPKMJ-SECBINFHSA-N 0 0 247.367 3.515 10 0 BHAERN Cc1cc([C@H](C)Nc2ccc(N)cn2)c(C)s1 ZINC000049506259 178259181 /nfs/dbraw/zinc/25/91/81/178259181.db2.gz ULPHFTZVSZPKMJ-VIFPVBQESA-N 0 0 247.367 3.515 10 0 BHAERN Cc1cc(C=O)c(C)n1[C@H](C)c1ccc(F)cc1 ZINC000049508836 177951907 /nfs/dbraw/zinc/95/19/07/177951907.db2.gz DBDJEWHRQMCPFQ-LLVKDONJSA-N 0 0 245.297 3.666 10 0 BHAERN Cc1cccc(N[C@@H](C)c2ccc(F)cc2)n1 ZINC000049509385 179152660 /nfs/dbraw/zinc/15/26/60/179152660.db2.gz RPWRFFCLJZTZHY-NSHDSACASA-N 0 0 230.286 3.702 10 0 BHAERN Cc1cccc(N[C@H](C)c2ccc(F)cc2)n1 ZINC000049509387 179156033 /nfs/dbraw/zinc/15/60/33/179156033.db2.gz RPWRFFCLJZTZHY-LLVKDONJSA-N 0 0 230.286 3.702 10 0 BHAERN Cc1ccc(N[C@@H](C)c2ccccc2Cl)nn1 ZINC000049509553 178770604 /nfs/dbraw/zinc/77/06/04/178770604.db2.gz HGWIULDHRRMBLA-JTQLQIEISA-N 0 0 247.729 3.612 10 0 BHAERN Cc1ccc(N[C@H](C)c2ccccc2Cl)nn1 ZINC000049509555 356472717 /nfs/dbraw/zinc/47/27/17/356472717.db2.gz HGWIULDHRRMBLA-SNVBAGLBSA-N 0 0 247.729 3.612 10 0 BHAERN COCc1cccc(-c2ccc(C(C)=O)s2)c1 ZINC000049510955 174627789 /nfs/dbraw/zinc/62/77/89/174627789.db2.gz RFWTWFYDGVZLFF-UHFFFAOYSA-N 0 0 246.331 3.764 10 0 BHAERN COCc1cccc2c(Cl)c3c(nc12)CCC3 ZINC000049511451 174633484 /nfs/dbraw/zinc/63/34/84/174633484.db2.gz PZLSSHDWDVFQIO-UHFFFAOYSA-N 0 0 247.725 3.523 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1ccc(F)cc1N ZINC000049525303 179323579 /nfs/dbraw/zinc/32/35/79/179323579.db2.gz FVFLXPUKKYSTJK-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1ccc(F)cc1N ZINC000049525305 179340840 /nfs/dbraw/zinc/34/08/40/179340840.db2.gz FVFLXPUKKYSTJK-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1ccc(N)cc1F ZINC000049525319 179323563 /nfs/dbraw/zinc/32/35/63/179323563.db2.gz ZOPPCJQGYHTVCL-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1ccc(N)cc1F ZINC000049525320 179340255 /nfs/dbraw/zinc/34/02/55/179340255.db2.gz ZOPPCJQGYHTVCL-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1cccc(N)c1 ZINC000049525321 179323139 /nfs/dbraw/zinc/32/31/39/179323139.db2.gz VERDRAFKQPTELZ-GFCCVEGCSA-N 0 0 226.323 3.750 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1cccc(N)c1 ZINC000049525323 179340935 /nfs/dbraw/zinc/34/09/35/179340935.db2.gz VERDRAFKQPTELZ-LBPRGKRZSA-N 0 0 226.323 3.750 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1cccc(F)c1N ZINC000049525396 179322846 /nfs/dbraw/zinc/32/28/46/179322846.db2.gz OCAUROFBPBYUKB-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1cccc(F)c1N ZINC000049525398 179340099 /nfs/dbraw/zinc/34/00/99/179340099.db2.gz OCAUROFBPBYUKB-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1cc(N)cc(F)c1 ZINC000049525400 179322775 /nfs/dbraw/zinc/32/27/75/179322775.db2.gz YQSBQEPIEJRPNC-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN Cc1cc(C=O)c(C)n1[C@@H](C)c1ccccc1C ZINC000049526029 179340503 /nfs/dbraw/zinc/34/05/03/179340503.db2.gz ZZVMILUJKLZBJZ-AWEZNQCLSA-N 0 0 241.334 3.835 10 0 BHAERN Cc1cc(N[C@@H](C)c2ccc(Cl)cc2)ncn1 ZINC000049526140 178178768 /nfs/dbraw/zinc/17/87/68/178178768.db2.gz GUWDZRRNVOTPNB-JTQLQIEISA-N 0 0 247.729 3.612 10 0 BHAERN Cc1cc(N[C@H](C)c2ccc(Cl)cc2)ncn1 ZINC000049526141 178187953 /nfs/dbraw/zinc/18/79/53/178187953.db2.gz GUWDZRRNVOTPNB-SNVBAGLBSA-N 0 0 247.729 3.612 10 0 BHAERN Cc1ccc(N[C@@H](C)c2ccc(Cl)cc2)nn1 ZINC000049526152 178770638 /nfs/dbraw/zinc/77/06/38/178770638.db2.gz WFSSXPVHHISSHM-JTQLQIEISA-N 0 0 247.729 3.612 10 0 BHAERN CCc1cc(N[C@@H](C)c2ccccc2C)ncn1 ZINC000049526232 356475362 /nfs/dbraw/zinc/47/53/62/356475362.db2.gz NJEAUYAEMCHWGC-LBPRGKRZSA-N 0 0 241.338 3.521 10 0 BHAERN CCc1cc(N[C@H](C)c2ccccc2C)ncn1 ZINC000049526233 356475426 /nfs/dbraw/zinc/47/54/26/356475426.db2.gz NJEAUYAEMCHWGC-GFCCVEGCSA-N 0 0 241.338 3.521 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1ccc(F)cn1 ZINC000049526244 179323082 /nfs/dbraw/zinc/32/30/82/179323082.db2.gz CWQHNVXWGFNNBN-LLVKDONJSA-N 0 0 230.286 3.702 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1ccc(F)cn1 ZINC000049526245 179340159 /nfs/dbraw/zinc/34/01/59/179340159.db2.gz CWQHNVXWGFNNBN-NSHDSACASA-N 0 0 230.286 3.702 10 0 BHAERN Cc1cccc(N[C@H](C)c2ccccc2C)n1 ZINC000049526256 179156211 /nfs/dbraw/zinc/15/62/11/179156211.db2.gz LYNHYRZYYNDGJL-CYBMUJFWSA-N 0 0 226.323 3.872 10 0 BHAERN Cc1cccc(N[C@@H](C)c2ccccc2C)n1 ZINC000049526257 179153124 /nfs/dbraw/zinc/15/31/24/179153124.db2.gz LYNHYRZYYNDGJL-ZDUSSCGKSA-N 0 0 226.323 3.872 10 0 BHAERN CC[C@@H]1CSC(N[C@@H](C)c2ccccc2C)=[NH+]1 ZINC000049526586 171113319 /nfs/dbraw/zinc/11/33/19/171113319.db2.gz YTWNTOFXQJHPAU-NWDGAFQWSA-N 0 0 248.395 3.527 10 0 BHAERN CC[C@@H]1CSC(N[C@H](C)c2ccccc2C)=[NH+]1 ZINC000049526588 171113159 /nfs/dbraw/zinc/11/31/59/171113159.db2.gz YTWNTOFXQJHPAU-VXGBXAGGSA-N 0 0 248.395 3.527 10 0 BHAERN Cc1ccccc1[C@@H](C)NC1=[NH+]C(C)(C)CS1 ZINC000049526590 179319053 /nfs/dbraw/zinc/31/90/53/179319053.db2.gz NUODQBKOAPIRNN-LLVKDONJSA-N 0 0 248.395 3.527 10 0 BHAERN COc1ccc(NC2CCC(C)CC2)cc1C ZINC000049528234 175149667 /nfs/dbraw/zinc/14/96/67/175149667.db2.gz OYQDFUZVOQJPBV-UHFFFAOYSA-N 0 0 233.355 3.994 10 0 BHAERN COc1ccc(N[C@@H](C)c2ccccn2)cc1C ZINC000049528272 175154071 /nfs/dbraw/zinc/15/40/71/175154071.db2.gz HZRNGHIFCYRNES-LBPRGKRZSA-N 0 0 242.322 3.572 10 0 BHAERN COc1ccc(N[C@H](C)c2ccccn2)cc1C ZINC000049528273 175154976 /nfs/dbraw/zinc/15/49/76/175154976.db2.gz HZRNGHIFCYRNES-GFCCVEGCSA-N 0 0 242.322 3.572 10 0 BHAERN COc1ccc(N[C@@H](C)c2ccncc2)cc1C ZINC000049528274 175153761 /nfs/dbraw/zinc/15/37/61/175153761.db2.gz HVDOPOUEAPKXKW-LBPRGKRZSA-N 0 0 242.322 3.572 10 0 BHAERN COc1ccc(N[C@H](C)c2ccncc2)cc1C ZINC000049528275 175155649 /nfs/dbraw/zinc/15/56/49/175155649.db2.gz HVDOPOUEAPKXKW-GFCCVEGCSA-N 0 0 242.322 3.572 10 0 BHAERN COc1ccc(N[C@@H](C)c2cccnc2)cc1C ZINC000049528276 175153693 /nfs/dbraw/zinc/15/36/93/175153693.db2.gz QOTGVCHZZWXNQM-LBPRGKRZSA-N 0 0 242.322 3.572 10 0 BHAERN COc1ccc(N[C@H](C)c2cccnc2)cc1C ZINC000049528277 175154800 /nfs/dbraw/zinc/15/48/00/175154800.db2.gz QOTGVCHZZWXNQM-GFCCVEGCSA-N 0 0 242.322 3.572 10 0 BHAERN COc1ccc(N[C@@H](C)c2ccco2)cc1C ZINC000049528291 175153983 /nfs/dbraw/zinc/15/39/83/175153983.db2.gz NDAOFQHULPWISV-NSHDSACASA-N 0 0 231.295 3.770 10 0 BHAERN COc1ccc(N[C@H](C)c2ccco2)cc1C ZINC000049528292 175154964 /nfs/dbraw/zinc/15/49/64/175154964.db2.gz NDAOFQHULPWISV-LLVKDONJSA-N 0 0 231.295 3.770 10 0 BHAERN COc1ccc(NC(C2CC2)C2CC2)cc1C ZINC000049528293 175149945 /nfs/dbraw/zinc/14/99/45/175149945.db2.gz BRKCQPDQWXQHDU-UHFFFAOYSA-N 0 0 231.339 3.604 10 0 BHAERN Cc1cc(N)ccc1N[C@@H](C)c1ccccc1F ZINC000049528784 178107249 /nfs/dbraw/zinc/10/72/49/178107249.db2.gz FGDYIWIQHJJHMA-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1cc(N)ccc1N[C@H](C)c1ccccc1F ZINC000049528785 178107740 /nfs/dbraw/zinc/10/77/40/178107740.db2.gz FGDYIWIQHJJHMA-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN Cc1ccc(N[C@H](C)c2ccccc2F)c(N)c1 ZINC000049528787 178776998 /nfs/dbraw/zinc/77/69/98/178776998.db2.gz IUVBNBGOJSUHHN-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN Cc1cc(N[C@@H](C)c2ccccc2F)ccc1N ZINC000049528796 178178668 /nfs/dbraw/zinc/17/86/68/178178668.db2.gz LANLVJLRLFHGRC-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1cc(N[C@H](C)c2ccccc2F)ccc1N ZINC000049528797 178187810 /nfs/dbraw/zinc/18/78/10/178187810.db2.gz LANLVJLRLFHGRC-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN C[C@H](Nc1cccc(F)c1N)c1ccccc1F ZINC000049528840 176935657 /nfs/dbraw/zinc/93/56/57/176935657.db2.gz XDNBOFMMWMKQFX-VIFPVBQESA-N 0 0 248.276 3.720 10 0 BHAERN Cc1cc(N)ccc1N[C@@H](C)c1cccc(F)c1 ZINC000049528916 178107403 /nfs/dbraw/zinc/10/74/03/178107403.db2.gz IATCWYPJAINNPA-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1cc(N)ccc1N[C@H](C)c1cccc(F)c1 ZINC000049528917 178107096 /nfs/dbraw/zinc/10/70/96/178107096.db2.gz IATCWYPJAINNPA-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN Cc1cc(N[C@@H](C)c2cccc(F)c2)ccc1N ZINC000049528936 178178720 /nfs/dbraw/zinc/17/87/20/178178720.db2.gz AQUSZWQMBMOLNA-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1cc(N[C@H](C)c2cccc(F)c2)ccc1N ZINC000049528937 178187351 /nfs/dbraw/zinc/18/73/51/178187351.db2.gz AQUSZWQMBMOLNA-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN C[C@H](Nc1cccc(F)c1N)c1cccc(F)c1 ZINC000049528984 176935920 /nfs/dbraw/zinc/93/59/20/176935920.db2.gz QYFFGJCXBJBMCR-VIFPVBQESA-N 0 0 248.276 3.720 10 0 BHAERN C[C@@H](Nc1cc(N)cc(F)c1)c1cccc(F)c1 ZINC000049528989 175929516 /nfs/dbraw/zinc/92/95/16/175929516.db2.gz PIZKXEIZLRJMTR-SECBINFHSA-N 0 0 248.276 3.720 10 0 BHAERN COc1ccc(Nc2ccc(N)cc2C)cc1C ZINC000049529068 175155914 /nfs/dbraw/zinc/15/59/14/175155914.db2.gz NADAHHACZDATAC-UHFFFAOYSA-N 0 0 242.322 3.638 10 0 BHAERN COc1ccc(Nc2ccc(C)cc2N)cc1C ZINC000049529069 175155911 /nfs/dbraw/zinc/15/59/11/175155911.db2.gz IVFHQIPFXFAACK-UHFFFAOYSA-N 0 0 242.322 3.638 10 0 BHAERN COc1ccc(Nc2ccc(N)c(C)c2)cc1C ZINC000049529085 175156190 /nfs/dbraw/zinc/15/61/90/175156190.db2.gz GTMJBXGGDQWZRQ-UHFFFAOYSA-N 0 0 242.322 3.638 10 0 BHAERN Cc1cc(C=O)c(C)n1[C@H](C)c1ccccc1F ZINC000049530879 177951438 /nfs/dbraw/zinc/95/14/38/177951438.db2.gz JTLOHSSJWYVVMK-GFCCVEGCSA-N 0 0 245.297 3.666 10 0 BHAERN Cc1cc(C=O)c(C)n1[C@H](C)c1cccc(F)c1 ZINC000049530881 177951434 /nfs/dbraw/zinc/95/14/34/177951434.db2.gz GBOBHMZADWQEOM-LLVKDONJSA-N 0 0 245.297 3.666 10 0 BHAERN C[C@H](Nc1ccc(F)cn1)c1ccccc1F ZINC000049531047 176933665 /nfs/dbraw/zinc/93/36/65/176933665.db2.gz DXKVDNMBBGODRC-VIFPVBQESA-N 0 0 234.249 3.533 10 0 BHAERN Cc1cccc(N[C@@H](C)c2ccccc2F)n1 ZINC000049531074 179153686 /nfs/dbraw/zinc/15/36/86/179153686.db2.gz YULMGWREOIPDPO-NSHDSACASA-N 0 0 230.286 3.702 10 0 BHAERN Cc1cccc(N[C@H](C)c2ccccc2F)n1 ZINC000049531075 179156258 /nfs/dbraw/zinc/15/62/58/179156258.db2.gz YULMGWREOIPDPO-LLVKDONJSA-N 0 0 230.286 3.702 10 0 BHAERN Cc1csc(N[C@@H](C)c2ccccc2F)n1 ZINC000049531082 179788704 /nfs/dbraw/zinc/78/87/04/179788704.db2.gz KPZNBSDAPQMNRA-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN Cc1cccc(N[C@@H](C)c2cccc(F)c2)n1 ZINC000049531134 179153963 /nfs/dbraw/zinc/15/39/63/179153963.db2.gz OTWJQJWQPLMDLY-NSHDSACASA-N 0 0 230.286 3.702 10 0 BHAERN Cc1cccc(N[C@H](C)c2cccc(F)c2)n1 ZINC000049531135 179155939 /nfs/dbraw/zinc/15/59/39/179155939.db2.gz OTWJQJWQPLMDLY-LLVKDONJSA-N 0 0 230.286 3.702 10 0 BHAERN Cc1csc(N[C@@H](C)c2cccc(F)c2)n1 ZINC000049531142 179788829 /nfs/dbraw/zinc/78/88/29/179788829.db2.gz JQKRUOBLXVPEMV-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN CC[C@H](Nc1ccccn1)c1cccs1 ZINC000049531192 344649934 /nfs/dbraw/zinc/64/99/34/344649934.db2.gz PWLGZMNIDDUJKK-JTQLQIEISA-N 0 0 218.325 3.706 10 0 BHAERN CC[C@@H](Nc1ccccn1)c1cccs1 ZINC000049531193 344650161 /nfs/dbraw/zinc/65/01/61/344650161.db2.gz PWLGZMNIDDUJKK-SNVBAGLBSA-N 0 0 218.325 3.706 10 0 BHAERN CC[C@H](Nc1nc(C)cc(C)n1)c1cccs1 ZINC000049531250 171552673 /nfs/dbraw/zinc/55/26/73/171552673.db2.gz ZVRPJAHSRSSFQP-NSHDSACASA-N 0 0 247.367 3.718 10 0 BHAERN CC[C@@H](Nc1nc(C)cc(C)n1)c1cccs1 ZINC000049531251 353168307 /nfs/dbraw/zinc/16/83/07/353168307.db2.gz ZVRPJAHSRSSFQP-LLVKDONJSA-N 0 0 247.367 3.718 10 0 BHAERN CC[C@H](Nc1cccc(F)n1)c1cccs1 ZINC000049533188 353167965 /nfs/dbraw/zinc/16/79/65/353167965.db2.gz CKELKRNIEQFJMI-VIFPVBQESA-N 0 0 236.315 3.845 10 0 BHAERN CC[C@@H](Nc1cccc(F)n1)c1cccs1 ZINC000049533189 353168235 /nfs/dbraw/zinc/16/82/35/353168235.db2.gz CKELKRNIEQFJMI-SECBINFHSA-N 0 0 236.315 3.845 10 0 BHAERN Cc1nc(C)c([C@@H](C)Nc2cccc(N)c2)s1 ZINC000049533719 179919259 /nfs/dbraw/zinc/91/92/59/179919259.db2.gz KXRLAWAIFFYMOQ-SECBINFHSA-N 0 0 247.367 3.515 10 0 BHAERN C[C@@H](O)c1ccccc1N[C@H]1CCC[C@@H](C)C1 ZINC000049541913 176145407 /nfs/dbraw/zinc/14/54/07/176145407.db2.gz BUJHMFACANYUNJ-UPJWGTAASA-N 0 0 233.355 3.731 10 0 BHAERN C[C@@H](O)c1ccccc1N[C@@H]1CCC[C@@H](C)C1 ZINC000049541915 176124036 /nfs/dbraw/zinc/12/40/36/176124036.db2.gz BUJHMFACANYUNJ-JHJVBQTASA-N 0 0 233.355 3.731 10 0 BHAERN Cc1ccccc1CNc1ccccc1[C@@H](C)O ZINC000049541969 179286269 /nfs/dbraw/zinc/28/62/69/179286269.db2.gz RQZYEELQAVQMKS-CYBMUJFWSA-N 0 0 241.334 3.660 10 0 BHAERN Cc1ccccc1CNc1ccccc1[C@H](C)O ZINC000049541970 179285537 /nfs/dbraw/zinc/28/55/37/179285537.db2.gz RQZYEELQAVQMKS-ZDUSSCGKSA-N 0 0 241.334 3.660 10 0 BHAERN Cc1ccc(CNc2ccccc2[C@H](C)O)cc1 ZINC000049541972 178640091 /nfs/dbraw/zinc/64/00/91/178640091.db2.gz DABKYNNYHMOFJR-ZDUSSCGKSA-N 0 0 241.334 3.660 10 0 BHAERN Cc1cccc(CNc2ccccc2[C@@H](C)O)c1 ZINC000049541975 188298641 /nfs/dbraw/zinc/29/86/41/188298641.db2.gz IWMSWUJKHCRIJI-CYBMUJFWSA-N 0 0 241.334 3.660 10 0 BHAERN C[C@@H](O)c1ccccc1NC1CCC(C)CC1 ZINC000049541987 168165508 /nfs/dbraw/zinc/16/55/08/168165508.db2.gz BPYFHLYGTFZFCW-OTTFEQOBSA-N 0 0 233.355 3.731 10 0 BHAERN C[C@H](O)c1ccccc1NC1CCC(C)CC1 ZINC000049541988 168165526 /nfs/dbraw/zinc/16/55/26/168165526.db2.gz BPYFHLYGTFZFCW-CPCZMJQVSA-N 0 0 233.355 3.731 10 0 BHAERN C[C@H](O)c1ccccc1NC1CCCCCC1 ZINC000049541989 177018061 /nfs/dbraw/zinc/01/80/61/177018061.db2.gz SOPXYCMDQHZCLN-LBPRGKRZSA-N 0 0 233.355 3.875 10 0 BHAERN C[C@@H](O)c1ccccc1NC1CCCCCC1 ZINC000049541990 175999612 /nfs/dbraw/zinc/99/96/12/175999612.db2.gz SOPXYCMDQHZCLN-GFCCVEGCSA-N 0 0 233.355 3.875 10 0 BHAERN C[C@@H](O)c1ccccc1N[C@H]1CCCC[C@@H]1C ZINC000049542012 177083266 /nfs/dbraw/zinc/08/32/66/177083266.db2.gz IVIBSGHOHAINLP-SCRDCRAPSA-N 0 0 233.355 3.731 10 0 BHAERN C[C@@H](O)c1ccccc1N[C@@H]1CCCC[C@@H]1C ZINC000049542014 177089382 /nfs/dbraw/zinc/08/93/82/177089382.db2.gz IVIBSGHOHAINLP-OUCADQQQSA-N 0 0 233.355 3.731 10 0 BHAERN C[C@@H](O)c1ccccc1NC1[C@H](C)CCC[C@@H]1C ZINC000049542015 177113673 /nfs/dbraw/zinc/11/36/73/177113673.db2.gz MVFXIPCAOZLMPG-RYFSFTGQSA-N 0 0 247.382 3.977 10 0 BHAERN C[C@@H](O)c1ccccc1NC1[C@@H](C)CCC[C@@H]1C ZINC000049542016 177130053 /nfs/dbraw/zinc/13/00/53/177130053.db2.gz MVFXIPCAOZLMPG-RWMBFGLXSA-N 0 0 247.382 3.977 10 0 BHAERN C[C@H](O)c1ccccc1NCC1CCCCC1 ZINC000049542048 177018108 /nfs/dbraw/zinc/01/81/08/177018108.db2.gz CHKMZKISLAMFNQ-LBPRGKRZSA-N 0 0 233.355 3.732 10 0 BHAERN C[C@@H](O)c1ccccc1NCC1CCCCC1 ZINC000049542049 176000367 /nfs/dbraw/zinc/00/03/67/176000367.db2.gz CHKMZKISLAMFNQ-GFCCVEGCSA-N 0 0 233.355 3.732 10 0 BHAERN C[C@@H](O)c1ccccc1N[C@@H](C)c1ccccc1 ZINC000049542084 176936685 /nfs/dbraw/zinc/93/66/85/176936685.db2.gz LLEOGKVRNOTMPZ-QWHCGFSZSA-N 0 0 241.334 3.913 10 0 BHAERN C[C@@H](O)c1ccccc1N[C@H](C)c1ccccc1 ZINC000049542085 176000121 /nfs/dbraw/zinc/00/01/21/176000121.db2.gz LLEOGKVRNOTMPZ-CHWSQXEVSA-N 0 0 241.334 3.913 10 0 BHAERN C[C@H](O)c1ccccc1N[C@@H](C)c1ccccc1 ZINC000049542086 177017791 /nfs/dbraw/zinc/01/77/91/177017791.db2.gz LLEOGKVRNOTMPZ-STQMWFEESA-N 0 0 241.334 3.913 10 0 BHAERN C[C@@H](Nc1ccccc1[C@H](C)O)c1ccccc1 ZINC000049542087 177017765 /nfs/dbraw/zinc/01/77/65/177017765.db2.gz LLEOGKVRNOTMPZ-OLZOCXBDSA-N 0 0 241.334 3.913 10 0 BHAERN C[C@H](O)c1ccccc1N[C@@H](C)c1cccs1 ZINC000049542144 177018227 /nfs/dbraw/zinc/01/82/27/177018227.db2.gz MRXUOTYZLDPEPA-QWRGUYRKSA-N 0 0 247.363 3.975 10 0 BHAERN C[C@@H](Nc1ccccc1[C@H](C)O)c1cccs1 ZINC000049542146 177018055 /nfs/dbraw/zinc/01/80/55/177018055.db2.gz MRXUOTYZLDPEPA-MNOVXSKESA-N 0 0 247.363 3.975 10 0 BHAERN C[C@@H](O)c1ccccc1N[C@H](C)c1cccs1 ZINC000049542147 176000377 /nfs/dbraw/zinc/00/03/77/176000377.db2.gz MRXUOTYZLDPEPA-GHMZBOCLSA-N 0 0 247.363 3.975 10 0 BHAERN C[C@H](O)c1ccccc1N[C@@H](C)c1ccco1 ZINC000049542170 177017998 /nfs/dbraw/zinc/01/79/98/177017998.db2.gz XCWRXBYYDDEXFJ-QWRGUYRKSA-N 0 0 231.295 3.506 10 0 BHAERN C[C@@H](Nc1ccccc1[C@H](C)O)c1ccco1 ZINC000049542172 177018188 /nfs/dbraw/zinc/01/81/88/177018188.db2.gz XCWRXBYYDDEXFJ-MNOVXSKESA-N 0 0 231.295 3.506 10 0 BHAERN Cc1ccc([C@H](C)Nc2ccccc2[C@@H](C)O)o1 ZINC000049542193 178900623 /nfs/dbraw/zinc/90/06/23/178900623.db2.gz OOHMTCLGPLHMBS-NWDGAFQWSA-N 0 0 245.322 3.814 10 0 BHAERN CCC[C@H](Nc1ccc(N)nc1)c1cccs1 ZINC000049542240 169514488 /nfs/dbraw/zinc/51/44/88/169514488.db2.gz HCTOYPRNBOHRLK-NSHDSACASA-N 0 0 247.367 3.679 10 0 BHAERN C[C@H](O)c1ccccc1NC[C@H]1CC=CCC1 ZINC000049542619 177018123 /nfs/dbraw/zinc/01/81/23/177018123.db2.gz WOHJLMMTTTUVJC-STQMWFEESA-N 0 0 231.339 3.508 10 0 BHAERN C[C@@H](O)c1ccccc1NC[C@H]1CC=CCC1 ZINC000049542620 176000296 /nfs/dbraw/zinc/00/02/96/176000296.db2.gz WOHJLMMTTTUVJC-OLZOCXBDSA-N 0 0 231.339 3.508 10 0 BHAERN C[C@H](O)c1ccccc1NC[C@@H]1CC=CCC1 ZINC000049542621 177017787 /nfs/dbraw/zinc/01/77/87/177017787.db2.gz WOHJLMMTTTUVJC-QWHCGFSZSA-N 0 0 231.339 3.508 10 0 BHAERN C[C@@H](O)c1ccccc1NC[C@@H]1CC=CCC1 ZINC000049542622 176000381 /nfs/dbraw/zinc/00/03/81/176000381.db2.gz WOHJLMMTTTUVJC-CHWSQXEVSA-N 0 0 231.339 3.508 10 0 BHAERN CCC[C@@H](Nc1cc(C)ncn1)c1cccs1 ZINC000049545886 169403307 /nfs/dbraw/zinc/40/33/07/169403307.db2.gz DSWVPWWXBOOOIE-LLVKDONJSA-N 0 0 247.367 3.800 10 0 BHAERN CCC[C@H](Nc1ccc(C)nn1)c1cccs1 ZINC000049545905 169514167 /nfs/dbraw/zinc/51/41/67/169514167.db2.gz CPWPEYIBDPYLOZ-NSHDSACASA-N 0 0 247.367 3.800 10 0 BHAERN CCC[C@@H](Nc1ccc(C)nn1)c1cccs1 ZINC000049545906 169405174 /nfs/dbraw/zinc/40/51/74/169405174.db2.gz CPWPEYIBDPYLOZ-LLVKDONJSA-N 0 0 247.367 3.800 10 0 BHAERN CCCC1CCC(Nc2ccc(C)nn2)CC1 ZINC000049546174 168605786 /nfs/dbraw/zinc/60/57/86/168605786.db2.gz AHPHMGKCBJLAQZ-UHFFFAOYSA-N 0 0 233.359 3.556 10 0 BHAERN CCCCCCC(=O)Nc1ccccc1[C@@H](C)O ZINC000049550111 168646133 /nfs/dbraw/zinc/64/61/33/168646133.db2.gz XSLPDZCKUXVDMH-GFCCVEGCSA-N 0 0 249.354 3.649 10 0 BHAERN CCCCCCC(=O)Nc1ccccc1[C@H](C)O ZINC000049550114 168646489 /nfs/dbraw/zinc/64/64/89/168646489.db2.gz XSLPDZCKUXVDMH-LBPRGKRZSA-N 0 0 249.354 3.649 10 0 BHAERN CC(C)[C@H](Nc1ccc(N)nc1)c1cccs1 ZINC000049555083 188124581 /nfs/dbraw/zinc/12/45/81/188124581.db2.gz WRHVLEUAEPLVEF-ZDUSSCGKSA-N 0 0 247.367 3.535 10 0 BHAERN CC(C)[C@H](Nc1ccc(N)cn1)c1cccs1 ZINC000049555147 187270466 /nfs/dbraw/zinc/27/04/66/187270466.db2.gz WMZLHLZTICVMQH-ZDUSSCGKSA-N 0 0 247.367 3.535 10 0 BHAERN Cc1ccc([C@@H](C)Nc2ccc(F)cc2N)cc1 ZINC000049555210 178850674 /nfs/dbraw/zinc/85/06/74/178850674.db2.gz BYEFWIKSDPXWCF-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN Cc1ccc([C@H](C)Nc2ccc(F)cc2N)cc1 ZINC000049555211 178899617 /nfs/dbraw/zinc/89/96/17/178899617.db2.gz BYEFWIKSDPXWCF-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1ccc([C@H](C)Nc2ccc(N)cc2F)cc1 ZINC000049555231 178900700 /nfs/dbraw/zinc/90/07/00/178900700.db2.gz YVLMBGPIWDSUGE-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1ccc([C@@H](C)Nc2cccc(F)c2N)cc1 ZINC000049555282 178851106 /nfs/dbraw/zinc/85/11/06/178851106.db2.gz LBWZXZZRKIGKNJ-LLVKDONJSA-N 0 0 244.313 3.889 10 0 BHAERN Cc1ccc([C@H](C)Nc2cccc(F)c2N)cc1 ZINC000049555283 178901249 /nfs/dbraw/zinc/90/12/49/178901249.db2.gz LBWZXZZRKIGKNJ-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN CCCc1ccccc1N[C@@H]1CCCCC[C@@H]1O ZINC000049556232 169579338 /nfs/dbraw/zinc/57/93/38/169579338.db2.gz ZQGOOMPIGWDYCU-CVEARBPZSA-N 0 0 247.382 3.745 10 0 BHAERN CCCc1ccccc1N[C@H]1CCCCC[C@@H]1O ZINC000049556233 169579086 /nfs/dbraw/zinc/57/90/86/169579086.db2.gz ZQGOOMPIGWDYCU-HOTGVXAUSA-N 0 0 247.382 3.745 10 0 BHAERN CCCc1ccccc1NC[C@@H]1CCCCO1 ZINC000049556252 169579527 /nfs/dbraw/zinc/57/95/27/169579527.db2.gz BCZJCSPHMONQFS-AWEZNQCLSA-N 0 0 233.355 3.620 10 0 BHAERN CCCc1ccccc1NCCc1ccccn1 ZINC000049556347 169579092 /nfs/dbraw/zinc/57/90/92/169579092.db2.gz NPRINXJNUVKSLF-UHFFFAOYSA-N 0 0 240.350 3.689 10 0 BHAERN CCCc1ccccc1NCCc1ccncc1 ZINC000049556348 169579461 /nfs/dbraw/zinc/57/94/61/169579461.db2.gz JNRYTCURJWSDAB-UHFFFAOYSA-N 0 0 240.350 3.689 10 0 BHAERN Cc1cc(N[C@@H](c2cccs2)C(C)C)ncn1 ZINC000049558315 178181132 /nfs/dbraw/zinc/18/11/32/178181132.db2.gz LDGDSEPRCYBMRW-CYBMUJFWSA-N 0 0 247.367 3.656 10 0 BHAERN Cc1cc(N[C@H](c2cccs2)C(C)C)ncn1 ZINC000049558316 178186831 /nfs/dbraw/zinc/18/68/31/178186831.db2.gz LDGDSEPRCYBMRW-ZDUSSCGKSA-N 0 0 247.367 3.656 10 0 BHAERN CC[C@@H]1CSC(N[C@@H](C)c2ccc(C)cc2)=[NH+]1 ZINC000049559220 171114366 /nfs/dbraw/zinc/11/43/66/171114366.db2.gz VPAUAGXXZMWCOO-WCQYABFASA-N 0 0 248.395 3.527 10 0 BHAERN CC[C@@H]1CSC(N[C@H](C)c2ccc(C)cc2)=[NH+]1 ZINC000049559222 171114169 /nfs/dbraw/zinc/11/41/69/171114169.db2.gz VPAUAGXXZMWCOO-DGCLKSJQSA-N 0 0 248.395 3.527 10 0 BHAERN CCCc1ccccc1-c1ccc(C=O)o1 ZINC000049559787 643086796 /nfs/dbraw/zinc/08/67/96/643086796.db2.gz SYCUREDBVXLJSC-UHFFFAOYSA-N 0 0 214.264 3.712 10 0 BHAERN CCC[C@@H](C)CNc1ccc(F)cc1OC ZINC000049563985 169360700 /nfs/dbraw/zinc/36/07/00/169360700.db2.gz DMHJADMPUISWIP-SNVBAGLBSA-N 0 0 225.307 3.682 10 0 BHAERN CCOc1cccc(Nc2ccc(F)cc2N)c1 ZINC000049564344 170582874 /nfs/dbraw/zinc/58/28/74/170582874.db2.gz NCDQUHMKONISPL-UHFFFAOYSA-N 0 0 246.285 3.550 10 0 BHAERN CCOc1cccc(Nc2cccc(F)c2N)c1 ZINC000049564388 170583044 /nfs/dbraw/zinc/58/30/44/170583044.db2.gz DXHCEVQDXSUFIO-UHFFFAOYSA-N 0 0 246.285 3.550 10 0 BHAERN CCOc1cccc(Nc2cc(N)cc(F)c2)c1 ZINC000049564389 170582503 /nfs/dbraw/zinc/58/25/03/170582503.db2.gz SBEXNPOGBCUQIJ-UHFFFAOYSA-N 0 0 246.285 3.550 10 0 BHAERN Cc1cc(N)ccc1N[C@@H](C)CCc1ccco1 ZINC000049564425 178106424 /nfs/dbraw/zinc/10/64/24/178106424.db2.gz RJOKYTUPWNJYDJ-LBPRGKRZSA-N 0 0 244.338 3.603 10 0 BHAERN Cc1cc(N)ccc1N[C@H](C)CCc1ccco1 ZINC000049564426 178107683 /nfs/dbraw/zinc/10/76/83/178107683.db2.gz RJOKYTUPWNJYDJ-GFCCVEGCSA-N 0 0 244.338 3.603 10 0 BHAERN Cc1cc(N[C@@H](C)CCc2ccco2)ccc1N ZINC000049564437 178178942 /nfs/dbraw/zinc/17/89/42/178178942.db2.gz WGDNXCIXAHGJHP-LBPRGKRZSA-N 0 0 244.338 3.603 10 0 BHAERN Cc1cc(N[C@H](C)CCc2ccco2)ccc1N ZINC000049564438 178185190 /nfs/dbraw/zinc/18/51/90/178185190.db2.gz WGDNXCIXAHGJHP-GFCCVEGCSA-N 0 0 244.338 3.603 10 0 BHAERN C[C@H](OCc1cccs1)c1ccc(N)cc1 ZINC000049584762 177021705 /nfs/dbraw/zinc/02/17/05/177021705.db2.gz PANUHMDRFYLCRO-JTQLQIEISA-N 0 0 233.336 3.608 10 0 BHAERN C[C@@H](OCc1cccs1)c1ccc(N)cc1 ZINC000049584764 176003161 /nfs/dbraw/zinc/00/31/61/176003161.db2.gz PANUHMDRFYLCRO-SNVBAGLBSA-N 0 0 233.336 3.608 10 0 BHAERN C[C@H](OCc1cccs1)c1cccc(N)c1 ZINC000049584767 177021923 /nfs/dbraw/zinc/02/19/23/177021923.db2.gz RFGFZKOREPNOEY-JTQLQIEISA-N 0 0 233.336 3.608 10 0 BHAERN C[C@@H](OCc1cccs1)c1cccc(N)c1 ZINC000049584768 176003473 /nfs/dbraw/zinc/00/34/73/176003473.db2.gz RFGFZKOREPNOEY-SNVBAGLBSA-N 0 0 233.336 3.608 10 0 BHAERN C[C@H](OCCc1cccs1)c1ccc(N)cc1 ZINC000049585102 177021084 /nfs/dbraw/zinc/02/10/84/177021084.db2.gz JMTCJYGQSDCRLL-NSHDSACASA-N 0 0 247.363 3.651 10 0 BHAERN C[C@@H](OCCc1cccs1)c1ccc(N)cc1 ZINC000049585103 176002193 /nfs/dbraw/zinc/00/21/93/176002193.db2.gz JMTCJYGQSDCRLL-LLVKDONJSA-N 0 0 247.363 3.651 10 0 BHAERN C[C@H](OCCc1cccs1)c1cccc(N)c1 ZINC000049585105 177021189 /nfs/dbraw/zinc/02/11/89/177021189.db2.gz HOWDEMHGXBEUOA-NSHDSACASA-N 0 0 247.363 3.651 10 0 BHAERN C[C@@H](OCCc1cccs1)c1cccc(N)c1 ZINC000049585106 176002606 /nfs/dbraw/zinc/00/26/06/176002606.db2.gz HOWDEMHGXBEUOA-LLVKDONJSA-N 0 0 247.363 3.651 10 0 BHAERN COc1ccc(-c2c(C)cc(C)cc2C)cc1N ZINC000049591134 175029866 /nfs/dbraw/zinc/02/98/66/175029866.db2.gz FKSFMQQRAAAKNQ-UHFFFAOYSA-N 0 0 241.334 3.870 10 0 BHAERN CC(C)(Cl)Cc1cccc(Cl)c1 ZINC000049649439 188298542 /nfs/dbraw/zinc/29/85/42/188298542.db2.gz HOVCPGYPSSRBLM-UHFFFAOYSA-N 0 0 203.112 3.900 10 0 BHAERN CC(C)(Cl)Cc1ccccc1Cl ZINC000049649440 188125824 /nfs/dbraw/zinc/12/58/24/188125824.db2.gz YUDVFJGHBYQSPT-UHFFFAOYSA-N 0 0 203.112 3.900 10 0 BHAERN Fc1cccc(-n2nccc2-c2ccccc2)c1 ZINC000049668402 180994004 /nfs/dbraw/zinc/99/40/04/180994004.db2.gz YSUFJCGJQXAMBP-UHFFFAOYSA-N 0 0 238.265 3.678 10 0 BHAERN Cc1ccc(COc2cc(F)ccc2N)cc1C ZINC000049668440 188125409 /nfs/dbraw/zinc/12/54/09/188125409.db2.gz PHUPYWCIASKXNE-UHFFFAOYSA-N 0 0 245.297 3.604 10 0 BHAERN Cc1ccc(COc2ccc(N)cc2F)cc1C ZINC000049668453 187270464 /nfs/dbraw/zinc/27/04/64/187270464.db2.gz PSLYQGCQSNKULB-UHFFFAOYSA-N 0 0 245.297 3.604 10 0 BHAERN Cc1ccc(COc2cccc(N)c2C)cc1C ZINC000049668457 178644432 /nfs/dbraw/zinc/64/44/32/178644432.db2.gz IFOXYVSXZRTMLA-UHFFFAOYSA-N 0 0 241.334 3.773 10 0 BHAERN Cc1ccc(COc2cc(N)ccc2C)cc1C ZINC000049668462 188125542 /nfs/dbraw/zinc/12/55/42/188125542.db2.gz QFLAQDIKHQVEJH-UHFFFAOYSA-N 0 0 241.334 3.773 10 0 BHAERN Cc1ccc(CSc2ncccc2N)cc1C ZINC000049668812 178645656 /nfs/dbraw/zinc/64/56/56/178645656.db2.gz VMRKSHPWGWYPFH-UHFFFAOYSA-N 0 0 244.363 3.573 10 0 BHAERN Cc1ccc(CSc2ccc(N)nc2)cc1C ZINC000049668814 178646184 /nfs/dbraw/zinc/64/61/84/178646184.db2.gz NLLJUHRYUWWVJW-UHFFFAOYSA-N 0 0 244.363 3.573 10 0 BHAERN Cc1ccc(CC2(O)CCC(C)CC2)cc1C ZINC000049669122 178523658 /nfs/dbraw/zinc/52/36/58/178523658.db2.gz KZPOKOHUJCIUNS-UHFFFAOYSA-N 0 0 232.367 3.787 10 0 BHAERN Cc1ccc(C[C@]2(O)CCCC[C@@H]2C)cc1C ZINC000049669123 178653434 /nfs/dbraw/zinc/65/34/34/178653434.db2.gz QTKANCFILATFAK-GOEBONIOSA-N 0 0 232.367 3.787 10 0 BHAERN Cc1ccc(C[C@]2(O)CCCC[C@H]2C)cc1C ZINC000049669125 178653371 /nfs/dbraw/zinc/65/33/71/178653371.db2.gz QTKANCFILATFAK-GDBMZVCRSA-N 0 0 232.367 3.787 10 0 BHAERN Cc1ccc(CC(=O)c2ccc(F)cc2)cc1C ZINC000049669233 178524599 /nfs/dbraw/zinc/52/45/99/178524599.db2.gz LHNDAFWODQESSJ-UHFFFAOYSA-N 0 0 242.293 3.868 10 0 BHAERN Cc1ccc(CC(=O)C2CCCCC2)cc1C ZINC000049669253 188125433 /nfs/dbraw/zinc/12/54/33/188125433.db2.gz MGELIBLEKWAUJK-UHFFFAOYSA-N 0 0 230.351 3.995 10 0 BHAERN Cc1ccc(C[C@H](O)c2cccc(F)c2)cc1C ZINC000049669284 178651959 /nfs/dbraw/zinc/65/19/59/178651959.db2.gz STAUKQAOUVWZBR-INIZCTEOSA-N 0 0 244.309 3.719 10 0 BHAERN Cc1cccc([C@H](O)Cc2ccc(C)c(C)c2)c1 ZINC000049669336 179201728 /nfs/dbraw/zinc/20/17/28/179201728.db2.gz LDGCGKKNLZCRTB-QGZVFWFLSA-N 0 0 240.346 3.888 10 0 BHAERN Cc1cccc([C@@H](O)Cc2ccc(C)c(C)c2)c1 ZINC000049669338 179188207 /nfs/dbraw/zinc/18/82/07/179188207.db2.gz LDGCGKKNLZCRTB-KRWDZBQOSA-N 0 0 240.346 3.888 10 0 BHAERN Cc1ccc(C)c(CNc2cccc(O)c2)c1 ZINC000049670151 178476169 /nfs/dbraw/zinc/47/61/69/178476169.db2.gz RAYUIYSFINNGLP-UHFFFAOYSA-N 0 0 227.307 3.621 10 0 BHAERN Cc1ccc(C)c(CNc2cccnc2Cl)c1 ZINC000049670190 178476387 /nfs/dbraw/zinc/47/63/87/178476387.db2.gz SRZIQBFDFCDQPR-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN CCC(CC)c1[nH]nc(N)c1-c1ccccc1F ZINC000049671747 168410224 /nfs/dbraw/zinc/41/02/24/168410224.db2.gz LQTDXYFGDCOMKA-UHFFFAOYSA-N 0 0 247.317 3.702 10 0 BHAERN CCC[C@@H](C)c1[nH]nc(N)c1-c1ccccc1F ZINC000049671752 169374566 /nfs/dbraw/zinc/37/45/66/169374566.db2.gz OUMOLPDSGFCHDG-SECBINFHSA-N 0 0 247.317 3.702 10 0 BHAERN CC(C)(C)Cc1noc(N)c1-c1ccccc1F ZINC000049671900 166607260 /nfs/dbraw/zinc/60/72/60/166607260.db2.gz HIVREIUGJHUIFP-UHFFFAOYSA-N 0 0 248.301 3.652 10 0 BHAERN CC(C)CCc1noc(N)c1-c1ccccc1F ZINC000049671907 166918665 /nfs/dbraw/zinc/91/86/65/166918665.db2.gz JTZFMYJTDNFBBG-UHFFFAOYSA-N 0 0 248.301 3.652 10 0 BHAERN CCC[C@@H](C)c1noc(N)c1-c1ccccc1F ZINC000049671909 169375448 /nfs/dbraw/zinc/37/54/48/169375448.db2.gz MOMLLTAEZKRDJQ-SECBINFHSA-N 0 0 248.301 3.967 10 0 BHAERN Nc1onc(C2CCCC2)c1-c1ccccc1F ZINC000049671916 181819801 /nfs/dbraw/zinc/81/98/01/181819801.db2.gz NSUOIYAQPZHXBI-UHFFFAOYSA-N 0 0 246.285 3.721 10 0 BHAERN CC[C@@H](C)c1noc(N)c1-c1ccccc1F ZINC000049671921 170808124 /nfs/dbraw/zinc/80/81/24/170808124.db2.gz JJPIMUPVSMLZOA-MRVPVSSYSA-N 0 0 234.274 3.576 10 0 BHAERN CC[C@H](C)c1noc(N)c1-c1ccccc1F ZINC000049671922 171415431 /nfs/dbraw/zinc/41/54/31/171415431.db2.gz JJPIMUPVSMLZOA-QMMMGPOBSA-N 0 0 234.274 3.576 10 0 BHAERN Cc1cc([C@@H](CO)Nc2ccccc2)c(C)s1 ZINC000049688026 178236079 /nfs/dbraw/zinc/23/60/79/178236079.db2.gz JGNZGMJRIUZIJF-CQSZACIVSA-N 0 0 247.363 3.510 10 0 BHAERN Cc1cc([C@H](CO)Nc2ccccc2)c(C)s1 ZINC000049688027 178261159 /nfs/dbraw/zinc/26/11/59/178261159.db2.gz JGNZGMJRIUZIJF-AWEZNQCLSA-N 0 0 247.363 3.510 10 0 BHAERN C[C@@H]1CC(=O)CCN1c1ccc(C(C)(C)C)cc1 ZINC000049694311 132356819 /nfs/dbraw/zinc/35/68/19/132356819.db2.gz IEBRIGZCLQTVFQ-GFCCVEGCSA-N 0 0 245.366 3.542 10 0 BHAERN C[C@H]1CC(=O)CCN1c1ccc(C(C)(C)C)cc1 ZINC000049694312 132356679 /nfs/dbraw/zinc/35/66/79/132356679.db2.gz IEBRIGZCLQTVFQ-LBPRGKRZSA-N 0 0 245.366 3.542 10 0 BHAERN CCCCc1ccc(N2CCC(=O)C[C@@H]2C)cc1 ZINC000049710922 132357681 /nfs/dbraw/zinc/35/76/81/132357681.db2.gz YTFSPDLXLHAVJR-ZDUSSCGKSA-N 0 0 245.366 3.587 10 0 BHAERN CCCCc1ccc(N2CCC(=O)C[C@H]2C)cc1 ZINC000049710923 132357758 /nfs/dbraw/zinc/35/77/58/132357758.db2.gz YTFSPDLXLHAVJR-CYBMUJFWSA-N 0 0 245.366 3.587 10 0 BHAERN CC[C@@H](C)c1ccc(NCc2ncc[nH]2)cc1 ZINC000049714959 170804642 /nfs/dbraw/zinc/80/46/42/170804642.db2.gz SMEXVRYICUWDHF-LLVKDONJSA-N 0 0 229.327 3.535 10 0 BHAERN CC[C@H](C)c1ccc(NCc2ncc[nH]2)cc1 ZINC000049714960 171410313 /nfs/dbraw/zinc/41/03/13/171410313.db2.gz SMEXVRYICUWDHF-NSHDSACASA-N 0 0 229.327 3.535 10 0 BHAERN Cc1cc(N)ccc1N(C)[C@@H](C)c1cccs1 ZINC000049726995 178105651 /nfs/dbraw/zinc/10/56/51/178105651.db2.gz FFQIJJLDMQFHKI-NSHDSACASA-N 0 0 246.379 3.836 10 0 BHAERN Cc1cc(N)ccc1N(C)[C@H](C)c1cccs1 ZINC000049726997 178105190 /nfs/dbraw/zinc/10/51/90/178105190.db2.gz FFQIJJLDMQFHKI-LLVKDONJSA-N 0 0 246.379 3.836 10 0 BHAERN Cc1cc(N(C)[C@@H](C)c2cccs2)ccc1N ZINC000049727064 178101024 /nfs/dbraw/zinc/10/10/24/178101024.db2.gz FCKYAPXNWWFHJZ-NSHDSACASA-N 0 0 246.379 3.836 10 0 BHAERN Cc1cc(N(C)[C@H](C)c2cccs2)ccc1N ZINC000049727066 178100372 /nfs/dbraw/zinc/10/03/72/178100372.db2.gz FCKYAPXNWWFHJZ-LLVKDONJSA-N 0 0 246.379 3.836 10 0 BHAERN C[C@@H](c1cccs1)N(C)c1ccccc1C=O ZINC000049727445 176033522 /nfs/dbraw/zinc/03/35/22/176033522.db2.gz BRWSLJFCPSIMHN-NSHDSACASA-N 0 0 245.347 3.758 10 0 BHAERN C[C@H](c1cccs1)N(C)c1ccccc1C=O ZINC000049727447 177049446 /nfs/dbraw/zinc/04/94/46/177049446.db2.gz BRWSLJFCPSIMHN-LLVKDONJSA-N 0 0 245.347 3.758 10 0 BHAERN C[C@@H](c1cccs1)N(C)c1ccc(C=O)cc1 ZINC000049727453 176033334 /nfs/dbraw/zinc/03/33/34/176033334.db2.gz MIJCALJISBDGOF-NSHDSACASA-N 0 0 245.347 3.758 10 0 BHAERN C[C@H](c1cccs1)N(C)c1ccc(C=O)cc1 ZINC000049727455 177048728 /nfs/dbraw/zinc/04/87/28/177048728.db2.gz MIJCALJISBDGOF-LLVKDONJSA-N 0 0 245.347 3.758 10 0 BHAERN COc1ccc(C(=O)CC2CC2)c2ccccc12 ZINC000049729123 175054001 /nfs/dbraw/zinc/05/40/01/175054001.db2.gz ZWYRQGFRYAZWIF-UHFFFAOYSA-N 0 0 240.302 3.831 10 0 BHAERN O=C(Cc1ccc2ccccc2c1)CC1CC1 ZINC000049730894 182038229 /nfs/dbraw/zinc/03/82/29/182038229.db2.gz UUNZLYMIOBJPND-UHFFFAOYSA-N 0 0 224.303 3.752 10 0 BHAERN Clc1cccc2c1N=C1CCCCCN1C2 ZINC000049756714 384899136 /nfs/dbraw/zinc/89/91/36/384899136.db2.gz IPSRZRXARJYFKS-UHFFFAOYSA-N 0 0 234.730 3.760 10 0 BHAERN CCCCC[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000049784502 384565437 /nfs/dbraw/zinc/56/54/37/384565437.db2.gz HWIYPLZVPBTTOH-CYBMUJFWSA-N 0 0 233.311 3.592 10 0 BHAERN CCCCC[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000049784503 384565507 /nfs/dbraw/zinc/56/55/07/384565507.db2.gz HWIYPLZVPBTTOH-ZDUSSCGKSA-N 0 0 233.311 3.592 10 0 BHAERN Cc1cc(-c2ccc(C(C)C)cc2)n[nH]1 ZINC000049812184 384567282 /nfs/dbraw/zinc/56/72/82/384567282.db2.gz XPSNOXNONNFMKA-UHFFFAOYSA-N 0 0 200.285 3.509 10 0 in-vitro BHAERN Cc1scc(N)c1-c1ccccc1C ZINC000049812719 179235949 /nfs/dbraw/zinc/23/59/49/179235949.db2.gz XQBZOWDYVMWYHW-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1scc(N)c1-c1ccc(C)cc1 ZINC000049812722 178318104 /nfs/dbraw/zinc/31/81/04/178318104.db2.gz AITZAQCSWZMUGM-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccc(-c2cscc2N)c(C)c1 ZINC000049812726 178331165 /nfs/dbraw/zinc/33/11/65/178331165.db2.gz IRXDOZMDQDUGFB-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1cc2c(nc1Cl)[C@H](C)[C@H](C)CC2 ZINC000049814690 178293502 /nfs/dbraw/zinc/29/35/02/178293502.db2.gz USNOPQVCOYKSGL-VXNVDRBHSA-N 0 0 209.720 3.729 10 0 BHAERN Cc1cc2c(nc1Cl)[C@@H](C)[C@H](C)CC2 ZINC000049814691 178292638 /nfs/dbraw/zinc/29/26/38/178292638.db2.gz USNOPQVCOYKSGL-APPZFPTMSA-N 0 0 209.720 3.729 10 0 BHAERN Cc1cc2c(nc1Cl)[C@H](C)[C@@H](C)CC2 ZINC000049814692 178292571 /nfs/dbraw/zinc/29/25/71/178292571.db2.gz USNOPQVCOYKSGL-IONNQARKSA-N 0 0 209.720 3.729 10 0 BHAERN Cc1cc2c(nc1Cl)[C@@H](C)[C@@H](C)CC2 ZINC000049814693 178292601 /nfs/dbraw/zinc/29/26/01/178292601.db2.gz USNOPQVCOYKSGL-CBAPKCEASA-N 0 0 209.720 3.729 10 0 BHAERN Cc1cc2c(nc1Cl)[C@H](C)C[C@H](C)C2 ZINC000049814694 178293282 /nfs/dbraw/zinc/29/32/82/178293282.db2.gz GATXMDAPGBJSKN-JGVFFNPUSA-N 0 0 209.720 3.729 10 0 BHAERN Cc1cc2c(nc1Cl)[C@@H](C)C[C@H](C)C2 ZINC000049814695 178293281 /nfs/dbraw/zinc/29/32/81/178293281.db2.gz GATXMDAPGBJSKN-YUMQZZPRSA-N 0 0 209.720 3.729 10 0 BHAERN Cc1cc2c(nc1Cl)[C@H](C)C[C@@H](C)C2 ZINC000049814696 178292978 /nfs/dbraw/zinc/29/29/78/178292978.db2.gz GATXMDAPGBJSKN-HTQZYQBOSA-N 0 0 209.720 3.729 10 0 BHAERN Cc1cc2c(nc1Cl)[C@@H](C)C[C@@H](C)C2 ZINC000049814697 178292503 /nfs/dbraw/zinc/29/25/03/178292503.db2.gz GATXMDAPGBJSKN-SFYZADRCSA-N 0 0 209.720 3.729 10 0 BHAERN Cc1cc2c(nc1Cl)C[C@H](C)C[C@@H]2C ZINC000049814702 178293254 /nfs/dbraw/zinc/29/32/54/178293254.db2.gz FLBUTAGXJQYHQG-SFYZADRCSA-N 0 0 209.720 3.729 10 0 BHAERN Cc1cc2c(nc1Cl)C[C@@H](C)C[C@@H]2C ZINC000049814703 178293080 /nfs/dbraw/zinc/29/30/80/178293080.db2.gz FLBUTAGXJQYHQG-YUMQZZPRSA-N 0 0 209.720 3.729 10 0 BHAERN Cc1cc2c(nc1Cl)C[C@H](C)C[C@H]2C ZINC000049814704 178293301 /nfs/dbraw/zinc/29/33/01/178293301.db2.gz FLBUTAGXJQYHQG-HTQZYQBOSA-N 0 0 209.720 3.729 10 0 BHAERN Cc1cc2c(nc1Cl)C[C@@H](C)C[C@H]2C ZINC000049814705 178293007 /nfs/dbraw/zinc/29/30/07/178293007.db2.gz FLBUTAGXJQYHQG-JGVFFNPUSA-N 0 0 209.720 3.729 10 0 BHAERN CC[C@@H]1CCc2nc(Cl)c(C)cc2C1 ZINC000049814710 171061087 /nfs/dbraw/zinc/06/10/87/171061087.db2.gz MAKYYSRCRWOKLW-SECBINFHSA-N 0 0 209.720 3.558 10 0 BHAERN CC[C@H]1CCc2nc(Cl)c(C)cc2C1 ZINC000049814711 171649250 /nfs/dbraw/zinc/64/92/50/171649250.db2.gz MAKYYSRCRWOKLW-VIFPVBQESA-N 0 0 209.720 3.558 10 0 BHAERN Cc1cccc(C(C)C)c1Br ZINC000049815273 179027864 /nfs/dbraw/zinc/02/78/64/179027864.db2.gz DLYTXCBACOLGKH-UHFFFAOYSA-N 0 0 213.118 3.881 10 0 BHAERN CC(=O)c1ccc(-c2ccc(C)cc2C)o1 ZINC000049815598 166450081 /nfs/dbraw/zinc/45/00/81/166450081.db2.gz ARNDJFZUCVIDDO-UHFFFAOYSA-N 0 0 214.264 3.766 10 0 BHAERN Cc1scc(N)c1-c1ccccc1Cl ZINC000049819555 180560905 /nfs/dbraw/zinc/56/09/05/180560905.db2.gz SDNJKIAHLMLVPL-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Cc1scc(N)c1-c1ccc(Cl)cc1 ZINC000049819557 180560898 /nfs/dbraw/zinc/56/08/98/180560898.db2.gz YJIPVAMUXJTGGX-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Cc1ccc(-c2cn3c(n2)CCCC3)cc1C ZINC000049820478 178328213 /nfs/dbraw/zinc/32/82/13/178328213.db2.gz OSQJFOOJJUIDHT-UHFFFAOYSA-N 0 0 226.323 3.503 10 0 BHAERN Cc1ccc(-c2cn3c(n2)CCCC3)c(C)c1 ZINC000049820479 178328240 /nfs/dbraw/zinc/32/82/40/178328240.db2.gz AFDCILCHIFBVAT-UHFFFAOYSA-N 0 0 226.323 3.503 10 0 BHAERN CC(C)(C)c1ccc([C@]2(C)CCC(=O)O2)cc1 ZINC000049822493 188298667 /nfs/dbraw/zinc/29/86/67/188298667.db2.gz UUFJAPJWOWCUNP-HNNXBMFYSA-N 0 0 232.323 3.536 10 0 BHAERN CC(C)(O)CCc1ccc(Cl)cc1Cl ZINC000049822655 188299234 /nfs/dbraw/zinc/29/92/34/188299234.db2.gz DFEKEDQDSGJLGF-UHFFFAOYSA-N 0 0 233.138 3.697 10 0 BHAERN CCC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000049828342 168255261 /nfs/dbraw/zinc/25/52/61/168255261.db2.gz WKSHHILTFYHLNW-UHFFFAOYSA-N 0 0 236.620 3.952 10 0 BHAERN CCC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000049828343 168256082 /nfs/dbraw/zinc/25/60/82/168256082.db2.gz QNLBCHOQKWGGFP-UHFFFAOYSA-N 0 0 236.620 3.952 10 0 BHAERN CCc1ccc(C(=O)CNc2ccccc2)cc1 ZINC000049829798 171782988 /nfs/dbraw/zinc/78/29/88/171782988.db2.gz QFBOQNXWVSAXLJ-UHFFFAOYSA-N 0 0 239.318 3.544 10 0 BHAERN Cc1ccc(C(=O)CNc2ccccc2)cc1C ZINC000049829799 178373528 /nfs/dbraw/zinc/37/35/28/178373528.db2.gz BHNMKLVETGYTQF-UHFFFAOYSA-N 0 0 239.318 3.598 10 0 BHAERN Cc1ccc(C(=O)CNc2ccccc2)c(C)c1 ZINC000049829801 178373762 /nfs/dbraw/zinc/37/37/62/178373762.db2.gz NLCITBXLLHYTEV-UHFFFAOYSA-N 0 0 239.318 3.598 10 0 BHAERN CC(=O)c1ccc(-c2ccc(F)c(F)c2F)o1 ZINC000049830021 166450288 /nfs/dbraw/zinc/45/02/88/166450288.db2.gz KORZOFVGPKEBEF-UHFFFAOYSA-N 0 0 240.180 3.567 10 0 BHAERN Cc1ccc(-c2cn3c(n2)C[C@H](C)CC3)cc1C ZINC000049830257 178327593 /nfs/dbraw/zinc/32/75/93/178327593.db2.gz HZONZABYKQBXCL-LLVKDONJSA-N 0 0 240.350 3.749 10 0 BHAERN Cc1ccc(-c2cn3c(n2)C[C@@H](C)CC3)cc1C ZINC000049830258 178327990 /nfs/dbraw/zinc/32/79/90/178327990.db2.gz HZONZABYKQBXCL-NSHDSACASA-N 0 0 240.350 3.749 10 0 BHAERN Cc1ccc(-c2cn3c(n2)C[C@H](C)CC3)c(C)c1 ZINC000049830259 178328412 /nfs/dbraw/zinc/32/84/12/178328412.db2.gz AGQMHRUARNVIRF-GFCCVEGCSA-N 0 0 240.350 3.749 10 0 BHAERN Cc1ccc(-c2cn3c(n2)C[C@@H](C)CC3)c(C)c1 ZINC000049830260 178328327 /nfs/dbraw/zinc/32/83/27/178328327.db2.gz AGQMHRUARNVIRF-LBPRGKRZSA-N 0 0 240.350 3.749 10 0 BHAERN Cc1ccc(C(=O)C(C)C)c(Br)c1 ZINC000049830388 178371300 /nfs/dbraw/zinc/37/13/00/178371300.db2.gz MEBAZPQBJFJGSZ-UHFFFAOYSA-N 0 0 241.128 3.596 10 0 BHAERN Cc1cc(C(=O)C(C)C)ccc1Br ZINC000049830390 187270590 /nfs/dbraw/zinc/27/05/90/187270590.db2.gz BOWMPUQRKNOBGR-UHFFFAOYSA-N 0 0 241.128 3.596 10 0 BHAERN CCCC(=O)c1ccc(C)cc1Br ZINC000049830391 411245363 /nfs/dbraw/zinc/24/53/63/411245363.db2.gz FJNHLQCBYQOTSR-UHFFFAOYSA-N 0 0 241.128 3.740 10 0 BHAERN Cc1cccc(NCC(=O)c2cccs2)c1C ZINC000049833820 179143413 /nfs/dbraw/zinc/14/34/13/179143413.db2.gz MIBALMJJDLMCDW-UHFFFAOYSA-N 0 0 245.347 3.660 10 0 BHAERN CC(=O)c1sc(Cc2ccc(C)cc2)nc1C ZINC000049833827 166492697 /nfs/dbraw/zinc/49/26/97/166492697.db2.gz UQWVMLBTTFUXMI-UHFFFAOYSA-N 0 0 245.347 3.553 10 0 BHAERN O=C(CNc1cccc(Cl)c1)c1ccccc1 ZINC000049833968 643473805 /nfs/dbraw/zinc/47/38/05/643473805.db2.gz TUCJLHQRTISMAY-UHFFFAOYSA-N 0 0 245.709 3.635 10 0 BHAERN Cc1cccc(C)c1NC[C@H](O)c1cccs1 ZINC000049835683 179043574 /nfs/dbraw/zinc/04/35/74/179043574.db2.gz MRXFOOVVFDGZAD-LBPRGKRZSA-N 0 0 247.363 3.510 10 0 BHAERN Cc1cccc(C)c1NC[C@@H](O)c1cccs1 ZINC000049835684 179044029 /nfs/dbraw/zinc/04/40/29/179044029.db2.gz MRXFOOVVFDGZAD-GFCCVEGCSA-N 0 0 247.363 3.510 10 0 BHAERN O[C@H]1CCCC[C@H]1Cc1cccc2ccccc21 ZINC000049852262 183233000 /nfs/dbraw/zinc/23/30/00/183233000.db2.gz KPYQVGIEODOWRZ-RDJZCZTQSA-N 0 0 240.346 3.933 10 0 BHAERN O[C@H]1CCCC[C@@H]1Cc1cccc2ccccc21 ZINC000049852263 183231995 /nfs/dbraw/zinc/23/19/95/183231995.db2.gz KPYQVGIEODOWRZ-WBVHZDCISA-N 0 0 240.346 3.933 10 0 BHAERN O[C@H]1CCCCC[C@@H]1CCCc1ccccc1 ZINC000049852343 183231904 /nfs/dbraw/zinc/23/19/04/183231904.db2.gz HAHQKVWTQGUOEQ-CVEARBPZSA-N 0 0 232.367 3.951 10 0 BHAERN O[C@@H]1CCCCC[C@H]1CCCc1ccccc1 ZINC000049852344 183188273 /nfs/dbraw/zinc/18/82/73/183188273.db2.gz HAHQKVWTQGUOEQ-JKSUJKDBSA-N 0 0 232.367 3.951 10 0 BHAERN O[C@@H]1CCCCC[C@@H]1CCCc1ccccc1 ZINC000049852345 183186870 /nfs/dbraw/zinc/18/68/70/183186870.db2.gz HAHQKVWTQGUOEQ-HZPDHXFCSA-N 0 0 232.367 3.951 10 0 BHAERN CC[C@@H]1CC[C@@H](O)[C@H](CCOc2ccccc2)C1 ZINC000049852492 171042351 /nfs/dbraw/zinc/04/23/51/171042351.db2.gz YRXXDSJVUWBICB-IIAWOOMASA-N 0 0 248.366 3.643 10 0 BHAERN CCCCCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000049908929 350265794 /nfs/dbraw/zinc/26/57/94/350265794.db2.gz GUDYCQDVIZCQAV-OAHLLOKOSA-N 0 0 245.366 3.761 10 0 BHAERN CCCCCC(=O)N[C@H]1CCCc2ccccc21 ZINC000049908930 350265723 /nfs/dbraw/zinc/26/57/23/350265723.db2.gz GUDYCQDVIZCQAV-HNNXBMFYSA-N 0 0 245.366 3.761 10 0 BHAERN CCC[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000049908955 350265844 /nfs/dbraw/zinc/26/58/44/350265844.db2.gz PYOWBLVBPNJITP-IUODEOHRSA-N 0 0 245.366 3.616 10 0 BHAERN CCC[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000049908956 350265719 /nfs/dbraw/zinc/26/57/19/350265719.db2.gz PYOWBLVBPNJITP-SWLSCSKDSA-N 0 0 245.366 3.616 10 0 BHAERN CCC[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000049908957 350266228 /nfs/dbraw/zinc/26/62/28/350266228.db2.gz PYOWBLVBPNJITP-DOMZBBRYSA-N 0 0 245.366 3.616 10 0 BHAERN CCC[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000049908958 350266130 /nfs/dbraw/zinc/26/61/30/350266130.db2.gz PYOWBLVBPNJITP-WFASDCNBSA-N 0 0 245.366 3.616 10 0 BHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)C(C)C)cc1 ZINC000049940634 384579700 /nfs/dbraw/zinc/57/97/00/384579700.db2.gz CSRXQCCRJGCTSC-CYBMUJFWSA-N 0 0 247.382 3.718 10 0 BHAERN CC(C)Cc1ccc([C@H](C)NC(=O)C(C)C)cc1 ZINC000049940635 384578702 /nfs/dbraw/zinc/57/87/02/384578702.db2.gz CSRXQCCRJGCTSC-ZDUSSCGKSA-N 0 0 247.382 3.718 10 0 BHAERN CCC[C@H](O)c1ccc2cc(OC)ccc2c1 ZINC000049956055 259521469 /nfs/dbraw/zinc/52/14/69/259521469.db2.gz ZTRVVXQFJBSJFL-HNNXBMFYSA-N 0 0 230.307 3.682 10 0 BHAERN CCC(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000049959477 384584231 /nfs/dbraw/zinc/58/42/31/384584231.db2.gz SYJQCTYZEAHIHV-UHFFFAOYSA-N 0 0 249.257 3.647 10 0 BHAERN CCc1ccc(CSc2ccc(N)cn2)cc1 ZINC000049961711 343128519 /nfs/dbraw/zinc/12/85/19/343128519.db2.gz YHUFKXHIGYVOCX-UHFFFAOYSA-N 0 0 244.363 3.519 10 0 BHAERN CCc1ccc(C[C@@H]2CCCCC[C@@H]2O)cc1 ZINC000049962893 171814398 /nfs/dbraw/zinc/81/43/98/171814398.db2.gz PJOBRDGSCCVNLL-HOTGVXAUSA-N 0 0 232.367 3.733 10 0 BHAERN CCc1ccc(C[C@H]2CCCCC[C@@H]2O)cc1 ZINC000049962894 171814740 /nfs/dbraw/zinc/81/47/40/171814740.db2.gz PJOBRDGSCCVNLL-CVEARBPZSA-N 0 0 232.367 3.733 10 0 BHAERN Cc1ccc(N(C)c2ccccc2N)c(C)c1 ZINC000049979493 178701701 /nfs/dbraw/zinc/70/17/01/178701701.db2.gz OXYFUXGDVXRIJW-UHFFFAOYSA-N 0 0 226.323 3.654 10 0 BHAERN Cc1ccccc1N(C)c1ccc([C@@H](C)O)cc1 ZINC000049987637 179294888 /nfs/dbraw/zinc/29/48/88/179294888.db2.gz YNDCXAOTYZZTHA-CYBMUJFWSA-N 0 0 241.334 3.816 10 0 BHAERN Cc1ccccc1N(C)c1ccccc1[C@@H](C)O ZINC000049987641 179295068 /nfs/dbraw/zinc/29/50/68/179295068.db2.gz PLZNANIJFMOGKP-CYBMUJFWSA-N 0 0 241.334 3.816 10 0 BHAERN Cc1ccc([C@](C)(O)c2ccccc2)cc1C ZINC000050014256 344611148 /nfs/dbraw/zinc/61/11/48/344611148.db2.gz UTFLFLZQIXZZCU-MRXNPFEDSA-N 0 0 226.319 3.559 10 0 BHAERN Cc1ccc([C@@](C)(O)c2ccccc2)cc1C ZINC000050014257 344611155 /nfs/dbraw/zinc/61/11/55/344611155.db2.gz UTFLFLZQIXZZCU-INIZCTEOSA-N 0 0 226.319 3.559 10 0 BHAERN Cc1ccc(C)c([C@](C)(O)c2ccccc2)c1 ZINC000050014400 383892599 /nfs/dbraw/zinc/89/25/99/383892599.db2.gz VEIQKMKQAIWYJV-MRXNPFEDSA-N 0 0 226.319 3.559 10 0 BHAERN Cc1ccc(C)c([C@@](C)(O)c2ccccc2)c1 ZINC000050014401 178499505 /nfs/dbraw/zinc/49/95/05/178499505.db2.gz VEIQKMKQAIWYJV-INIZCTEOSA-N 0 0 226.319 3.559 10 0 BHAERN CCCCC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000050042662 411250855 /nfs/dbraw/zinc/25/08/55/411250855.db2.gz HZPXSNZJXJTLSQ-JTQLQIEISA-N 0 0 239.746 3.707 10 0 BHAERN CC(C)CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000050042677 166767289 /nfs/dbraw/zinc/76/72/89/166767289.db2.gz BOOKRKGULUVEIJ-JTQLQIEISA-N 0 0 239.746 3.563 10 0 BHAERN OC1CCC(Nc2ccc3ccccc3c2)CC1 ZINC000050101674 183029141 /nfs/dbraw/zinc/02/91/41/183029141.db2.gz HHHPUHTXHKXYDC-UHFFFAOYSA-N 0 0 241.334 3.555 10 0 BHAERN Cc1ccc2ccn(CC(=O)c3ccccc3)c2c1 ZINC000050130060 178971711 /nfs/dbraw/zinc/97/17/11/178971711.db2.gz ABDXMYLRUBHWQA-UHFFFAOYSA-N 0 0 249.313 3.833 10 0 BHAERN CC[C@H](Nc1cccc(F)n1)c1ccccc1 ZINC000050197575 643636208 /nfs/dbraw/zinc/63/62/08/643636208.db2.gz BRDUUXIBOQPVOK-LBPRGKRZSA-N 0 0 230.286 3.784 10 0 BHAERN CC[C@@H](Nc1cccc(F)n1)c1ccccc1 ZINC000050197576 643636654 /nfs/dbraw/zinc/63/66/54/643636654.db2.gz BRDUUXIBOQPVOK-GFCCVEGCSA-N 0 0 230.286 3.784 10 0 BHAERN CC[C@H](Nc1cncc(Cl)n1)c1ccccc1 ZINC000050197588 643636151 /nfs/dbraw/zinc/63/61/51/643636151.db2.gz GGSXBDMXIZTVTA-NSHDSACASA-N 0 0 247.729 3.693 10 0 BHAERN CC[C@@H](Nc1cncc(Cl)n1)c1ccccc1 ZINC000050197590 643636718 /nfs/dbraw/zinc/63/67/18/643636718.db2.gz GGSXBDMXIZTVTA-LLVKDONJSA-N 0 0 247.729 3.693 10 0 BHAERN CC[C@H](Nc1ccccn1)c1ccccc1 ZINC000050197688 358718467 /nfs/dbraw/zinc/71/84/67/358718467.db2.gz APEQMSVUOCYKQD-ZDUSSCGKSA-N 0 0 212.296 3.645 10 0 BHAERN CC[C@@H](Nc1ccccn1)c1ccccc1 ZINC000050197690 358718203 /nfs/dbraw/zinc/71/82/03/358718203.db2.gz APEQMSVUOCYKQD-CYBMUJFWSA-N 0 0 212.296 3.645 10 0 BHAERN Cc1ccccc1-c1nc(-c2cccs2)n[nH]1 ZINC000050200540 179237219 /nfs/dbraw/zinc/23/72/19/179237219.db2.gz WMBUPAZDIUQXNP-UHFFFAOYSA-N 0 0 241.319 3.509 10 0 BHAERN Cc1ccccc1Cc1sc(N)nc1C1CC1 ZINC000050266624 179292808 /nfs/dbraw/zinc/29/28/08/179292808.db2.gz DCTQDPQQIAXWBV-UHFFFAOYSA-N 0 0 244.363 3.502 10 0 BHAERN CC(C)c1ccccc1NC[C@@H]1CCC=CO1 ZINC000050267242 167641764 /nfs/dbraw/zinc/64/17/64/167641764.db2.gz XRZJZYQUYJXDCH-ZDUSSCGKSA-N 0 0 231.339 3.915 10 0 BHAERN CC(C)c1ccccc1NC[C@H]1CCC=CO1 ZINC000050267243 643670644 /nfs/dbraw/zinc/67/06/44/643670644.db2.gz XRZJZYQUYJXDCH-CYBMUJFWSA-N 0 0 231.339 3.915 10 0 BHAERN c1cnc2c(c1)cccc2NCC1CCCC1 ZINC000050271394 183485557 /nfs/dbraw/zinc/48/55/57/183485557.db2.gz KMNYFOWIWCMPFG-UHFFFAOYSA-N 0 0 226.323 3.837 10 0 BHAERN CC(=O)Nc1ccc(NCC2CCCC2)cc1C ZINC000050271578 517362717 /nfs/dbraw/zinc/36/27/17/517362717.db2.gz OULUOBSYGVPSGG-UHFFFAOYSA-N 0 0 246.354 3.556 10 0 BHAERN COc1cc(C)c(NCC2CCCC2)cc1OC ZINC000050271725 174960542 /nfs/dbraw/zinc/96/05/42/174960542.db2.gz HBEKETCLEDOVHA-UHFFFAOYSA-N 0 0 249.354 3.614 10 0 BHAERN c1cc(-c2ccc(NCC3CCCC3)cc2)n[nH]1 ZINC000050271810 183329324 /nfs/dbraw/zinc/32/93/24/183329324.db2.gz ZKCDPEQZDIYKMS-UHFFFAOYSA-N 0 0 241.338 3.679 10 0 BHAERN c1cc(-c2cccc(NCC3CCCC3)c2)n[nH]1 ZINC000050271871 183357140 /nfs/dbraw/zinc/35/71/40/183357140.db2.gz GYRLNNUBRYBOFM-UHFFFAOYSA-N 0 0 241.338 3.679 10 0 BHAERN CCOCc1ccccc1NCC1CCCC1 ZINC000050271902 170458750 /nfs/dbraw/zinc/45/87/50/170458750.db2.gz LTLWGIIKGJVCES-UHFFFAOYSA-N 0 0 233.355 3.825 10 0 BHAERN Nc1scnc1-c1ccc(Cl)cc1Cl ZINC000050307973 344670903 /nfs/dbraw/zinc/67/09/03/344670903.db2.gz DNJXBESKNBMDBM-UHFFFAOYSA-N 0 0 245.134 3.699 10 0 BHAERN Nc1scnc1-c1ccc(Cl)c(Cl)c1 ZINC000050307978 344670946 /nfs/dbraw/zinc/67/09/46/344670946.db2.gz XPNDZJZCPFUXJQ-UHFFFAOYSA-N 0 0 245.134 3.699 10 0 BHAERN Nc1scnc1-c1cccc(Cl)c1Cl ZINC000050308006 344670756 /nfs/dbraw/zinc/67/07/56/344670756.db2.gz WALSCMQBLRFMNQ-UHFFFAOYSA-N 0 0 245.134 3.699 10 0 BHAERN Nc1scnc1-c1cc(Cl)cc(Cl)c1 ZINC000050308022 344670876 /nfs/dbraw/zinc/67/08/76/344670876.db2.gz ZCAVWVNJOYZVGS-UHFFFAOYSA-N 0 0 245.134 3.699 10 0 BHAERN CC(C)c1nc(-c2ccccc2)c(N)s1 ZINC000050308903 188509655 /nfs/dbraw/zinc/50/96/55/188509655.db2.gz MUGWGMDLCOERCD-UHFFFAOYSA-N 0 0 218.325 3.516 10 0 BHAERN Cc1ccc(-c2nc(C(C)C)sc2N)cc1 ZINC000050308912 178333574 /nfs/dbraw/zinc/33/35/74/178333574.db2.gz UYOXCUKOEXEBLC-UHFFFAOYSA-N 0 0 232.352 3.824 10 0 BHAERN Cc1ccc(-c2nc(C3CC3)sc2N)cc1 ZINC000050309111 178334970 /nfs/dbraw/zinc/33/49/70/178334970.db2.gz FXUMPGJGHQCUBU-UHFFFAOYSA-N 0 0 230.336 3.578 10 0 BHAERN Cc1ccc(-c2nc(C(C)(C)C)sc2N)cc1 ZINC000050309285 178332754 /nfs/dbraw/zinc/33/27/54/178332754.db2.gz BEPYTDXDYNRVON-UHFFFAOYSA-N 0 0 246.379 3.998 10 0 BHAERN CC[C@@H](C)c1nc(C(C)(C)C)sc1N ZINC000050309322 344670844 /nfs/dbraw/zinc/67/08/44/344670844.db2.gz RVTUNXOKMUUYOF-SSDOTTSWSA-N 0 0 212.362 3.536 10 0 BHAERN CC[C@H](C)c1nc(C(C)(C)C)sc1N ZINC000050309323 344670725 /nfs/dbraw/zinc/67/07/25/344670725.db2.gz RVTUNXOKMUUYOF-ZETCQYMHSA-N 0 0 212.362 3.536 10 0 BHAERN Cc1ccc([C@H](O)C2=CCCCC2)s1 ZINC000050328877 344673591 /nfs/dbraw/zinc/67/35/91/344673591.db2.gz HQUQGVYIWRAMHX-GFCCVEGCSA-N 0 0 208.326 3.590 10 0 BHAERN Cc1ccc([C@@H](O)C2=CCCCC2)s1 ZINC000050328878 344673577 /nfs/dbraw/zinc/67/35/77/344673577.db2.gz HQUQGVYIWRAMHX-LBPRGKRZSA-N 0 0 208.326 3.590 10 0 BHAERN O[C@H](C1=CCCC1)c1cccc2ccccc21 ZINC000050329330 183218004 /nfs/dbraw/zinc/21/80/04/183218004.db2.gz FGLFCCDFLPGVNM-MRXNPFEDSA-N 0 0 224.303 3.984 10 0 BHAERN O[C@@H](C1=CCCC1)c1cccc2ccccc21 ZINC000050329331 183173215 /nfs/dbraw/zinc/17/32/15/183173215.db2.gz FGLFCCDFLPGVNM-INIZCTEOSA-N 0 0 224.303 3.984 10 0 BHAERN COc1ccc([C@H](O)C2=CCCCCC2)cc1 ZINC000050329370 175193211 /nfs/dbraw/zinc/19/32/11/175193211.db2.gz REDLFERJZIIVOI-OAHLLOKOSA-N 0 0 232.323 3.619 10 0 BHAERN COc1ccc([C@@H](O)C2=CCCCCC2)cc1 ZINC000050329371 175180684 /nfs/dbraw/zinc/18/06/84/175180684.db2.gz REDLFERJZIIVOI-HNNXBMFYSA-N 0 0 232.323 3.619 10 0 BHAERN O[C@@H](Cc1ccc(F)cc1)C1=CCCCCC1 ZINC000050329396 183183754 /nfs/dbraw/zinc/18/37/54/183183754.db2.gz NYWNLDADVDUXKD-HNNXBMFYSA-N 0 0 234.314 3.620 10 0 BHAERN O[C@H](Cc1ccc(F)cc1)C1=CCCCCC1 ZINC000050329397 183227311 /nfs/dbraw/zinc/22/73/11/183227311.db2.gz NYWNLDADVDUXKD-OAHLLOKOSA-N 0 0 234.314 3.620 10 0 BHAERN C[C@H](Nc1ccccc1)c1ccsc1 ZINC000050337379 343613668 /nfs/dbraw/zinc/61/36/68/343613668.db2.gz ISTLWCYRLJEAGE-JTQLQIEISA-N 0 0 203.310 3.921 10 0 BHAERN C[C@@H](Nc1ccccc1)c1ccsc1 ZINC000050337382 343614061 /nfs/dbraw/zinc/61/40/61/343614061.db2.gz ISTLWCYRLJEAGE-SNVBAGLBSA-N 0 0 203.310 3.921 10 0 BHAERN C[C@H](Nc1cccc2c[nH]nc21)c1ccsc1 ZINC000050342585 176936206 /nfs/dbraw/zinc/93/62/06/176936206.db2.gz HZENGDJSSKNUAN-VIFPVBQESA-N 0 0 243.335 3.798 10 0 BHAERN C[C@@H](Nc1cccc2n[nH]cc21)c1ccsc1 ZINC000050344037 175932745 /nfs/dbraw/zinc/93/27/45/175932745.db2.gz QOXXUNRSHNUMGL-SECBINFHSA-N 0 0 243.335 3.798 10 0 BHAERN CC(C)(C)C1CCN(c2ccc(C=O)cc2)CC1 ZINC000050347394 534559166 /nfs/dbraw/zinc/55/91/66/534559166.db2.gz UKDFFLRUANQTMG-UHFFFAOYSA-N 0 0 245.366 3.762 10 0 BHAERN CC[C@@H](C)COc1ccc2ccccc2c1CO ZINC000050425462 170712394 /nfs/dbraw/zinc/71/23/94/170712394.db2.gz HOWZDKGBSZKSSF-GFCCVEGCSA-N 0 0 244.334 3.757 10 0 BHAERN CC[C@H](C)COc1ccc2ccccc2c1CO ZINC000050425464 171291020 /nfs/dbraw/zinc/29/10/20/171291020.db2.gz HOWZDKGBSZKSSF-LBPRGKRZSA-N 0 0 244.334 3.757 10 0 BHAERN CC[C@H](C)COc1ccc2ccc(O)cc2c1 ZINC000050425840 171291651 /nfs/dbraw/zinc/29/16/51/171291651.db2.gz OKFWPBKMVFGXJM-NSHDSACASA-N 0 0 230.307 3.970 10 0 BHAERN Cc1cc(C)c(OCc2ccc(F)cc2)c(N)c1 ZINC000050441809 177869818 /nfs/dbraw/zinc/86/98/18/177869818.db2.gz ZWWHPPHFYXSYIE-UHFFFAOYSA-N 0 0 245.297 3.604 10 0 BHAERN Cc1ccc(OCc2ccc(Cl)cc2N)cc1 ZINC000050443542 178816047 /nfs/dbraw/zinc/81/60/47/178816047.db2.gz ABNIMWMMHVSUPG-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN CC(C)(C)SCc1ccc(Cl)cc1N ZINC000050443825 344690850 /nfs/dbraw/zinc/69/08/50/344690850.db2.gz JHDSRBNSNKIRCF-UHFFFAOYSA-N 0 0 229.776 3.954 10 0 BHAERN CC(C)SCc1ccc(Cl)cc1N ZINC000050443906 344690754 /nfs/dbraw/zinc/69/07/54/344690754.db2.gz NAPXVXSCEXBWLG-UHFFFAOYSA-N 0 0 215.749 3.564 10 0 BHAERN CCN(Cc1ccc(C)cc1)c1ccccc1N ZINC000050454195 169905678 /nfs/dbraw/zinc/90/56/78/169905678.db2.gz RSCFIOBHTIFWQY-UHFFFAOYSA-N 0 0 240.350 3.604 10 0 BHAERN Nc1ccc(OCCc2ccccc2)cc1Cl ZINC000050470576 181721508 /nfs/dbraw/zinc/72/15/08/181721508.db2.gz YDCWXGOVTVWGBE-UHFFFAOYSA-N 0 0 247.725 3.544 10 0 BHAERN O=C(Cc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000050518443 182034458 /nfs/dbraw/zinc/03/44/58/182034458.db2.gz ZFZNASVEBAIHMZ-UHFFFAOYSA-N 0 0 242.240 3.617 10 0 BHAERN O=C(Cc1ccc(C(F)(F)F)cc1)C1CCC1 ZINC000050518468 182034285 /nfs/dbraw/zinc/03/42/85/182034285.db2.gz KVFXXKUCDVPQDL-UHFFFAOYSA-N 0 0 242.240 3.617 10 0 BHAERN CC[C@H](C)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000050518478 171246037 /nfs/dbraw/zinc/24/60/37/171246037.db2.gz ZTSWIZSFZWQTKF-VIFPVBQESA-N 0 0 244.256 3.863 10 0 BHAERN CCCC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000050518480 344704699 /nfs/dbraw/zinc/70/46/99/344704699.db2.gz BHYOPVFVCOOFKK-UHFFFAOYSA-N 0 0 230.229 3.617 10 0 BHAERN Brc1csc(COC2CCC2)c1 ZINC000050521119 343616550 /nfs/dbraw/zinc/61/65/50/343616550.db2.gz WGAIYUVETVOVMT-UHFFFAOYSA-N 0 0 247.157 3.580 10 0 BHAERN Brc1ccccc1COC1CCC1 ZINC000050521123 344705768 /nfs/dbraw/zinc/70/57/68/344705768.db2.gz YDVRXQGSYQWAQX-UHFFFAOYSA-N 0 0 241.128 3.518 10 0 BHAERN Brc1ccc(COC2CCC2)cc1 ZINC000050521124 344705579 /nfs/dbraw/zinc/70/55/79/344705579.db2.gz WHCOHVNEKKNGGD-UHFFFAOYSA-N 0 0 241.128 3.518 10 0 BHAERN Brc1ccsc1COC1CCC1 ZINC000050521131 344705634 /nfs/dbraw/zinc/70/56/34/344705634.db2.gz SBCHHDBRZRYGBI-UHFFFAOYSA-N 0 0 247.157 3.580 10 0 BHAERN CCC(C)(C)[C@@H]1CC[C@H](O)[C@H](OC2CCC2)C1 ZINC000050521271 168303941 /nfs/dbraw/zinc/30/39/41/168303941.db2.gz RFXWMZLSUKYXQN-KWCYVHTRSA-N 0 0 240.387 3.521 10 0 BHAERN CCC(C)(C)[C@@H]1CC[C@@H](O)[C@H](OC2CCC2)C1 ZINC000050521273 168304729 /nfs/dbraw/zinc/30/47/29/168304729.db2.gz RFXWMZLSUKYXQN-MRVWCRGKSA-N 0 0 240.387 3.521 10 0 BHAERN CCCSc1nnc(Cl)c2ccccc21 ZINC000050530658 344706877 /nfs/dbraw/zinc/70/68/77/344706877.db2.gz UUNZOGYSBHGEQU-UHFFFAOYSA-N 0 0 238.743 3.785 10 0 BHAERN CC(C)Sc1nnc(Cl)c2ccccc21 ZINC000050530754 344706600 /nfs/dbraw/zinc/70/66/00/344706600.db2.gz FPKBSBMYSFCRGK-UHFFFAOYSA-N 0 0 238.743 3.784 10 0 BHAERN CC[C@@H]1CCCCN1c1ccc(C=O)cc1C ZINC000050544808 132358939 /nfs/dbraw/zinc/35/89/39/132358939.db2.gz YJIRITQYPKPSPC-CQSZACIVSA-N 0 0 231.339 3.576 10 0 BHAERN CC[C@H]1CCCCN1c1ccc(C=O)cc1C ZINC000050544809 132358900 /nfs/dbraw/zinc/35/89/00/132358900.db2.gz YJIRITQYPKPSPC-AWEZNQCLSA-N 0 0 231.339 3.576 10 0 BHAERN COc1cccc(Oc2ccc(C=O)cc2C)c1 ZINC000050545156 175285244 /nfs/dbraw/zinc/28/52/44/175285244.db2.gz PNNUQUODIAVDBQ-UHFFFAOYSA-N 0 0 242.274 3.608 10 0 BHAERN COc1ccccc1Oc1ccc(C=O)cc1C ZINC000050545173 175342363 /nfs/dbraw/zinc/34/23/63/175342363.db2.gz PPFREMHKMKTAID-UHFFFAOYSA-N 0 0 242.274 3.608 10 0 BHAERN Cc1cc(CO)ccc1N(C)C1CCCCCC1 ZINC000050560886 178045845 /nfs/dbraw/zinc/04/58/45/178045845.db2.gz IDBVVGNUIJIPCY-UHFFFAOYSA-N 0 0 247.382 3.646 10 0 BHAERN Cc1cc(CO)ccc1N(CC(C)C)CC(C)C ZINC000050560960 178045995 /nfs/dbraw/zinc/04/59/95/178045995.db2.gz NJJACNHVQIGTJV-UHFFFAOYSA-N 0 0 249.398 3.606 10 0 BHAERN Cc1cc(CO)ccc1N(C)C1CCC(C)CC1 ZINC000050561042 178045476 /nfs/dbraw/zinc/04/54/76/178045476.db2.gz VVTJUZWXWVPWKW-UHFFFAOYSA-N 0 0 247.382 3.502 10 0 BHAERN Cc1cc(CO)ccc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC000050561065 178046404 /nfs/dbraw/zinc/04/64/04/178046404.db2.gz AASGXXIZMXOGFY-SWLSCSKDSA-N 0 0 247.382 3.502 10 0 BHAERN Cc1cc(CO)ccc1N(C)[C@H]1CCC[C@H](C)C1 ZINC000050561066 178045430 /nfs/dbraw/zinc/04/54/30/178045430.db2.gz AASGXXIZMXOGFY-WFASDCNBSA-N 0 0 247.382 3.502 10 0 BHAERN Cc1cccc(N(C)c2ccc(CO)cc2C)c1 ZINC000050561410 179118030 /nfs/dbraw/zinc/11/80/30/179118030.db2.gz ZDBCPSPAAOSLJK-UHFFFAOYSA-N 0 0 241.334 3.564 10 0 BHAERN Cc1ccc(Oc2ccc(CO)cc2C)cc1 ZINC000050561555 178821246 /nfs/dbraw/zinc/82/12/46/178821246.db2.gz MYBSYRBRRXKBEP-UHFFFAOYSA-N 0 0 228.291 3.588 10 0 BHAERN Cc1cc(CO)ccc1Oc1ccc(Cl)cc1 ZINC000050561634 178046325 /nfs/dbraw/zinc/04/63/25/178046325.db2.gz CSVRAJDXDBIVJU-UHFFFAOYSA-N 0 0 248.709 3.933 10 0 BHAERN Cc1ccccc1Oc1ccc(CO)cc1C ZINC000050561658 179314532 /nfs/dbraw/zinc/31/45/32/179314532.db2.gz ZXBBMADJHCKLKA-UHFFFAOYSA-N 0 0 228.291 3.588 10 0 BHAERN CC(=O)c1c(F)cccc1N1CCC[C@H](C)[C@H]1C ZINC000050565207 132359093 /nfs/dbraw/zinc/35/90/93/132359093.db2.gz JOGIELDBLPCBAB-WDEREUQCSA-N 0 0 249.329 3.653 10 0 BHAERN Cc1cc(N(C)C2CCCCC2)ccc1C=O ZINC000050569381 178096406 /nfs/dbraw/zinc/09/64/06/178096406.db2.gz ZQUFISCHJQBTLM-UHFFFAOYSA-N 0 0 231.339 3.576 10 0 BHAERN CC[C@@H]1CCCCN1c1ccc(C=O)c(C)c1 ZINC000050569427 132359144 /nfs/dbraw/zinc/35/91/44/132359144.db2.gz WVHXIHNOCZDKFA-CQSZACIVSA-N 0 0 231.339 3.576 10 0 BHAERN CC[C@H]1CCCCN1c1ccc(C=O)c(C)c1 ZINC000050569428 132359154 /nfs/dbraw/zinc/35/91/54/132359154.db2.gz WVHXIHNOCZDKFA-AWEZNQCLSA-N 0 0 231.339 3.576 10 0 BHAERN CCN(c1ccc(C=O)c(C)c1)C1CCCC1 ZINC000050569465 169941934 /nfs/dbraw/zinc/94/19/34/169941934.db2.gz DWDZMDRJVRXNJO-UHFFFAOYSA-N 0 0 231.339 3.576 10 0 BHAERN Cc1cc(N(C)[C@@H](C)CC(C)C)ccc1C=O ZINC000050575218 178100942 /nfs/dbraw/zinc/10/09/42/178100942.db2.gz STGNNJUUNPECKR-ZDUSSCGKSA-N 0 0 233.355 3.678 10 0 BHAERN Cc1cc(N(C)[C@H](C)CC(C)C)ccc1C=O ZINC000050575220 178100529 /nfs/dbraw/zinc/10/05/29/178100529.db2.gz STGNNJUUNPECKR-CYBMUJFWSA-N 0 0 233.355 3.678 10 0 BHAERN Cc1cccc(N(C)c2ccc(C=O)c(C)c2)c1 ZINC000050575391 179117781 /nfs/dbraw/zinc/11/77/81/179117781.db2.gz MXNFDFCCLJBVIJ-UHFFFAOYSA-N 0 0 239.318 3.884 10 0 BHAERN Cc1cc(Oc2ccccc2C)ccc1C=O ZINC000050575570 178215397 /nfs/dbraw/zinc/21/53/97/178215397.db2.gz OQNVKRLJBMCDIV-UHFFFAOYSA-N 0 0 226.275 3.908 10 0 BHAERN Cc1cc(N(C)[C@@H]2CCC[C@H](C)C2)ccc1CO ZINC000050583116 178100786 /nfs/dbraw/zinc/10/07/86/178100786.db2.gz IKDYZKNUHILWGE-SWLSCSKDSA-N 0 0 247.382 3.502 10 0 BHAERN Cc1cc(N(C)[C@H]2CCC[C@H](C)C2)ccc1CO ZINC000050583118 178102149 /nfs/dbraw/zinc/10/21/49/178102149.db2.gz IKDYZKNUHILWGE-WFASDCNBSA-N 0 0 247.382 3.502 10 0 BHAERN Cc1cccc(N(C)c2ccc(CO)c(C)c2)c1 ZINC000050583480 179118460 /nfs/dbraw/zinc/11/84/60/179118460.db2.gz RTDGXMVIFAWVLV-UHFFFAOYSA-N 0 0 241.334 3.564 10 0 BHAERN CCc1ccc(Oc2ccc(CO)c(C)c2)cc1 ZINC000050583909 171828271 /nfs/dbraw/zinc/82/82/71/171828271.db2.gz KKZBXPIEQHXLDD-UHFFFAOYSA-N 0 0 242.318 3.842 10 0 BHAERN Cc1cc(Oc2ccccc2Cl)ccc1CO ZINC000050583920 178215945 /nfs/dbraw/zinc/21/59/45/178215945.db2.gz VKWORTYDOAEGPV-UHFFFAOYSA-N 0 0 248.709 3.933 10 0 BHAERN Cc1cc(C)cc(Oc2ccc(CO)c(C)c2)c1 ZINC000050583931 177913824 /nfs/dbraw/zinc/91/38/24/177913824.db2.gz MHLUXYYBFQTSOW-UHFFFAOYSA-N 0 0 242.318 3.896 10 0 BHAERN CC(C)(C)c1nc2sccc2c(Cl)n1 ZINC000050790755 345268086 /nfs/dbraw/zinc/26/80/86/345268086.db2.gz HJXSATJXYZPHBV-UHFFFAOYSA-N 0 0 226.732 3.642 10 0 BHAERN CCNc1ccc(COC2CCC(C)CC2)cn1 ZINC000050831969 170173691 /nfs/dbraw/zinc/17/36/91/170173691.db2.gz ZOXQUXSTEIFJNJ-UHFFFAOYSA-N 0 0 248.370 3.609 10 0 BHAERN CC[C@H](C)OCc1cc2ccccc2nc1NC ZINC000050833238 171355210 /nfs/dbraw/zinc/35/52/10/171355210.db2.gz WUFWHKKOHSMDQX-NSHDSACASA-N 0 0 244.338 3.592 10 0 BHAERN CCCSCc1cc2ccccc2nc1NC ZINC000050833759 169339107 /nfs/dbraw/zinc/33/91/07/169339107.db2.gz PIJGUIKQYLKLQW-UHFFFAOYSA-N 0 0 246.379 3.920 10 0 BHAERN CNc1ccc(CSCc2ccccc2)cn1 ZINC000050833907 173478728 /nfs/dbraw/zinc/47/87/28/173478728.db2.gz BRVGGLFFHQTIAK-UHFFFAOYSA-N 0 0 244.363 3.557 10 0 BHAERN CCCNc1nc2ccccc2cc1CSC ZINC000050839161 169296943 /nfs/dbraw/zinc/29/69/43/169296943.db2.gz CTYXMGJKOVMZGC-UHFFFAOYSA-N 0 0 246.379 3.920 10 0 BHAERN CCSCc1nc2sccc2c(Cl)n1 ZINC000050841087 398342375 /nfs/dbraw/zinc/34/23/75/398342375.db2.gz VWFLELPCYKATLN-UHFFFAOYSA-N 0 0 244.772 3.598 10 0 BHAERN CC1CCC(c2nc3sccc3c(N)n2)CC1 ZINC000050841263 168170141 /nfs/dbraw/zinc/17/01/41/168170141.db2.gz DQRHLAMQJDZKKQ-UHFFFAOYSA-N 0 0 247.367 3.567 10 0 BHAERN CCCNc1nc(CC(C)C)nc2sccc21 ZINC000050841697 169295599 /nfs/dbraw/zinc/29/55/99/169295599.db2.gz LGOLZTIYHFIDKV-UHFFFAOYSA-N 0 0 249.383 3.712 10 0 BHAERN CCCNc1nc(CC)nc2sc(C)c(C)c21 ZINC000050842051 169295923 /nfs/dbraw/zinc/29/59/23/169295923.db2.gz LZOKUJAPOZTGEK-UHFFFAOYSA-N 0 0 249.383 3.692 10 0 BHAERN CCCNc1ccnc2c(OCCC)cccc12 ZINC000050843679 169296164 /nfs/dbraw/zinc/29/61/64/169296164.db2.gz LOYGWHGIOVHHFU-UHFFFAOYSA-N 0 0 244.338 3.846 10 0 BHAERN CNc1ccnc2c(Cl)cc(Cl)cc12 ZINC000050843702 343619348 /nfs/dbraw/zinc/61/93/48/343619348.db2.gz SIMPJKBOTZPPJW-UHFFFAOYSA-N 0 0 227.094 3.583 10 0 BHAERN Nc1ccnc2c(Cl)cc(Cl)c(Cl)c12 ZINC000050843778 398342447 /nfs/dbraw/zinc/34/24/47/398342447.db2.gz MKTJJEGRKCWJRO-UHFFFAOYSA-N 0 0 247.512 3.777 10 0 BHAERN CNc1ccnc2c(Cl)c(Cl)ccc12 ZINC000050844161 384495758 /nfs/dbraw/zinc/49/57/58/384495758.db2.gz HYYYETRKSLTWEX-UHFFFAOYSA-N 0 0 227.094 3.583 10 0 BHAERN CC1CCC(c2nc(N)cc(C(C)(C)C)n2)CC1 ZINC000050846131 168169091 /nfs/dbraw/zinc/16/90/91/168169091.db2.gz VOPNFLNLEOQQFZ-UHFFFAOYSA-N 0 0 247.386 3.650 10 0 BHAERN CCNc1cc(-c2ccccc2)nc(C(C)C)n1 ZINC000050848318 170171586 /nfs/dbraw/zinc/17/15/86/170171586.db2.gz OVUIPKHBXNNZGA-UHFFFAOYSA-N 0 0 241.338 3.699 10 0 BHAERN CCNc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000050848767 170172529 /nfs/dbraw/zinc/17/25/29/170172529.db2.gz VUXBURXVCRPVEN-UHFFFAOYSA-N 0 0 247.729 3.537 10 0 BHAERN CCCNc1cc(C)nc(-c2ccccc2C)n1 ZINC000050849003 169293453 /nfs/dbraw/zinc/29/34/53/169293453.db2.gz IUMWLEVSPODTSA-UHFFFAOYSA-N 0 0 241.338 3.582 10 0 BHAERN CCCNc1cc(C)nc(-c2ccc(C)cc2)n1 ZINC000050849011 169293448 /nfs/dbraw/zinc/29/34/48/169293448.db2.gz JNGXQPAJGGDYJO-UHFFFAOYSA-N 0 0 241.338 3.582 10 0 BHAERN CCCNc1cc(C)nc(-c2cccc(C)c2)n1 ZINC000050849023 169293520 /nfs/dbraw/zinc/29/35/20/169293520.db2.gz AHGSAASTLCABDD-UHFFFAOYSA-N 0 0 241.338 3.582 10 0 BHAERN CCCNc1cc(C)nc(C2CCCCC2)n1 ZINC000050849026 169293821 /nfs/dbraw/zinc/29/38/21/169293821.db2.gz XFCYWSBFPNJLCZ-UHFFFAOYSA-N 0 0 233.359 3.655 10 0 BHAERN CNc1cc(C(C)(C)C)nc(-c2cccs2)n1 ZINC000050850444 173472759 /nfs/dbraw/zinc/47/27/59/173472759.db2.gz GFEAITZCQHONKZ-UHFFFAOYSA-N 0 0 247.367 3.544 10 0 BHAERN CCCNc1cc(C(C)(C)C)nc(C(C)C)n1 ZINC000050850740 169293674 /nfs/dbraw/zinc/29/36/74/169293674.db2.gz DQAVXGKBWRTHCJ-UHFFFAOYSA-N 0 0 235.375 3.719 10 0 BHAERN CCCNc1cc(CC)nc(-c2cccs2)n1 ZINC000050851376 169293874 /nfs/dbraw/zinc/29/38/74/169293874.db2.gz BSAKSAWVHSPDFG-UHFFFAOYSA-N 0 0 247.367 3.589 10 0 BHAERN CCCNc1cc(CC)nc(-c2ccsc2)n1 ZINC000050851409 169293326 /nfs/dbraw/zinc/29/33/26/169293326.db2.gz HFOYJYYDGLTXEN-UHFFFAOYSA-N 0 0 247.367 3.589 10 0 BHAERN CCNc1cc(C(C)C)nc(C2CCCC2)n1 ZINC000050851740 170171419 /nfs/dbraw/zinc/17/14/19/170171419.db2.gz CNQYJXBIQLPBIP-UHFFFAOYSA-N 0 0 233.359 3.689 10 0 BHAERN CCCNc1ccnc(-c2ccccc2Cl)n1 ZINC000050863967 169295972 /nfs/dbraw/zinc/29/59/72/169295972.db2.gz VNFJHCGHVMMLJT-UHFFFAOYSA-N 0 0 247.729 3.619 10 0 BHAERN CCCNc1nc(-c2ccccc2)nc(C)c1C ZINC000050864330 169296225 /nfs/dbraw/zinc/29/62/25/169296225.db2.gz KYBHFIHLGHVLFJ-UHFFFAOYSA-N 0 0 241.338 3.582 10 0 BHAERN CCCNc1nc(-c2ccsc2)nc(C)c1C ZINC000050864366 169296119 /nfs/dbraw/zinc/29/61/19/169296119.db2.gz WBRCFPGHUHGSLL-UHFFFAOYSA-N 0 0 247.367 3.644 10 0 BHAERN CCNc1cc(C)nc(-c2cccc(C)c2C)n1 ZINC000050864669 170172350 /nfs/dbraw/zinc/17/23/50/170172350.db2.gz ACRYBXILNFYVES-UHFFFAOYSA-N 0 0 241.338 3.501 10 0 BHAERN CCNc1cc(C)nc(-c2cc(C)sc2C)n1 ZINC000050864676 170172279 /nfs/dbraw/zinc/17/22/79/170172279.db2.gz MJHBNKNDGBPKEI-UHFFFAOYSA-N 0 0 247.367 3.562 10 0 BHAERN CCNc1cc(CC)nc(-c2sccc2C)n1 ZINC000050865173 170172130 /nfs/dbraw/zinc/17/21/30/170172130.db2.gz KWHJQJPBDVELAY-UHFFFAOYSA-N 0 0 247.367 3.508 10 0 BHAERN CNc1cc(C(C)C)nc(-c2sccc2C)n1 ZINC000050865270 173473113 /nfs/dbraw/zinc/47/31/13/173473113.db2.gz PTCKEGGOZMBHOU-UHFFFAOYSA-N 0 0 247.367 3.679 10 0 BHAERN CCNc1nc(-c2sccc2C)nc(C)c1C ZINC000050866002 170176328 /nfs/dbraw/zinc/17/63/28/170176328.db2.gz AERGXYOKXBFCIP-UHFFFAOYSA-N 0 0 247.367 3.562 10 0 BHAERN CCCc1ccc(-c2ccc(NCC)nn2)cc1 ZINC000050868028 169568507 /nfs/dbraw/zinc/56/85/07/169568507.db2.gz IVMITTLETSOREH-UHFFFAOYSA-N 0 0 241.338 3.528 10 0 BHAERN CCCOc1cccc2c(NC)cc(CC)nc12 ZINC000050868921 169325662 /nfs/dbraw/zinc/32/56/62/169325662.db2.gz DHXFUERZPWSSNW-UHFFFAOYSA-N 0 0 244.338 3.628 10 0 BHAERN CCCNc1cc(C)nc2c(OCC)cccc12 ZINC000050869220 169293359 /nfs/dbraw/zinc/29/33/59/169293359.db2.gz CPSGGBCVAMGOFG-UHFFFAOYSA-N 0 0 244.338 3.764 10 0 BHAERN CNc1cc(C(C)(C)C)nc2c(F)cccc12 ZINC000050869708 173473089 /nfs/dbraw/zinc/47/30/89/173473089.db2.gz MPVYMYFRUJHVDN-UHFFFAOYSA-N 0 0 232.302 3.713 10 0 BHAERN CCNc1c2cccc(F)c2nc2c1CCCC2 ZINC000050869723 170171108 /nfs/dbraw/zinc/17/11/08/170171108.db2.gz BJXOEOSGNKGXCM-UHFFFAOYSA-N 0 0 244.313 3.685 10 0 BHAERN CCNc1cc(CC)nc2c(F)cc(C)cc12 ZINC000050870355 170171723 /nfs/dbraw/zinc/17/17/23/170171723.db2.gz NFBLUDBGNRKDCE-UHFFFAOYSA-N 0 0 232.302 3.677 10 0 BHAERN CCNc1cc(C)nc2c(Cl)cccc12 ZINC000050870589 170171946 /nfs/dbraw/zinc/17/19/46/170171946.db2.gz WOZHKWMWCNNXBM-UHFFFAOYSA-N 0 0 220.703 3.628 10 0 BHAERN CCCNc1cc(C)nc2c(F)cc(F)cc12 ZINC000050870725 169293456 /nfs/dbraw/zinc/29/34/56/169293456.db2.gz VDCFDELXIFNCLR-UHFFFAOYSA-N 0 0 236.265 3.643 10 0 BHAERN OC1(Cc2ccc(F)cc2F)CCCCCC1 ZINC000050885482 183021599 /nfs/dbraw/zinc/02/15/99/183021599.db2.gz SMMBAXNGUJWJES-UHFFFAOYSA-N 0 0 240.293 3.593 10 0 BHAERN O=C(Cc1ccc(F)cc1F)C1CCCCC1 ZINC000050885672 182036828 /nfs/dbraw/zinc/03/68/28/182036828.db2.gz MQGNHEHZHDISLB-UHFFFAOYSA-N 0 0 238.277 3.657 10 0 BHAERN Cc1ccccc1[C@H](O)Cc1ccc(F)cc1F ZINC000050885776 179345045 /nfs/dbraw/zinc/34/50/45/179345045.db2.gz WAGBFXUPMLCUNQ-OAHLLOKOSA-N 0 0 248.272 3.549 10 0 BHAERN Cc1ccccc1[C@@H](O)Cc1ccc(F)cc1F ZINC000050885778 179325818 /nfs/dbraw/zinc/32/58/18/179325818.db2.gz WAGBFXUPMLCUNQ-HNNXBMFYSA-N 0 0 248.272 3.549 10 0 BHAERN CCCC[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC000050886811 345586415 /nfs/dbraw/zinc/58/64/15/345586415.db2.gz OGJNVWFWFRRBEM-SNVBAGLBSA-N 0 0 227.298 3.633 10 0 BHAERN CCCC1CCN(c2ccc(C)cc2N)CC1 ZINC000050893717 132359606 /nfs/dbraw/zinc/35/96/06/132359606.db2.gz LPBSZHNOVSIWCN-UHFFFAOYSA-N 0 0 232.371 3.594 10 0 BHAERN CCCC1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000050893910 132359600 /nfs/dbraw/zinc/35/96/00/132359600.db2.gz WLDBSUOKZGKGHB-UHFFFAOYSA-N 0 0 245.366 3.906 10 0 BHAERN CCCC1CCN(c2ccc(C=O)cc2F)CC1 ZINC000050893969 132359494 /nfs/dbraw/zinc/35/94/94/132359494.db2.gz MPJQKBRATGUSCX-UHFFFAOYSA-N 0 0 249.329 3.655 10 0 BHAERN CCCC1CCN(c2ccc(C=O)c(C)c2)CC1 ZINC000050893978 132359598 /nfs/dbraw/zinc/35/95/98/132359598.db2.gz NMGKIVDBYLOBAZ-UHFFFAOYSA-N 0 0 245.366 3.824 10 0 BHAERN CCCC1CCN(c2ccccc2[C@@H](C)O)CC1 ZINC000050894097 132359595 /nfs/dbraw/zinc/35/95/95/132359595.db2.gz INLPSHRJIOMIEO-CYBMUJFWSA-N 0 0 247.382 3.756 10 0 BHAERN CC(C)Cc1ccc(C(=O)[C@H]2CCCCO2)cc1 ZINC000050960063 187781429 /nfs/dbraw/zinc/78/14/29/187781429.db2.gz OBWSNSKPIOEZPO-OAHLLOKOSA-N 0 0 246.350 3.637 10 0 BHAERN Cc1cc(C)c(C)c([C@@H](O)[C@@H]2CCCCO2)c1C ZINC000050971756 177853544 /nfs/dbraw/zinc/85/35/44/177853544.db2.gz AQEYJQFFXAPGNP-HOCLYGCPSA-N 0 0 248.366 3.523 10 0 BHAERN OCCCCCOc1cc(Cl)ccc1Cl ZINC000051020397 323005361 /nfs/dbraw/zinc/00/53/61/323005361.db2.gz KBJUJFDPUWISNN-UHFFFAOYSA-N 0 0 249.137 3.535 10 0 BHAERN Cc1cc(OCCCCCO)ccc1C(C)C ZINC000051020422 178209601 /nfs/dbraw/zinc/20/96/01/178209601.db2.gz UEZKDMQUTTVSQP-UHFFFAOYSA-N 0 0 236.355 3.660 10 0 BHAERN OCCCCCOc1cccc(Cl)c1Cl ZINC000051020471 183049177 /nfs/dbraw/zinc/04/91/77/183049177.db2.gz ZIMXFGRZKRBMIM-UHFFFAOYSA-N 0 0 249.137 3.535 10 0 BHAERN OCCCCCOc1cc(Cl)cc(Cl)c1 ZINC000051020485 322851186 /nfs/dbraw/zinc/85/11/86/322851186.db2.gz HTXROZSGJRADRO-UHFFFAOYSA-N 0 0 249.137 3.535 10 0 BHAERN OCCCCCOc1c(Cl)cccc1Cl ZINC000051020490 183049691 /nfs/dbraw/zinc/04/96/91/183049691.db2.gz VTMYRPKLDAHWEL-UHFFFAOYSA-N 0 0 249.137 3.535 10 0 BHAERN Cc1nc(C)c([C@@H](C)Nc2ncccc2C)s1 ZINC000051041036 179919303 /nfs/dbraw/zinc/91/93/03/179919303.db2.gz MUYZFTMJZMDLIO-SNVBAGLBSA-N 0 0 247.367 3.636 10 0 BHAERN Cc1cccnc1N[C@@H](C)c1ccc(F)cc1 ZINC000051041111 179395150 /nfs/dbraw/zinc/39/51/50/179395150.db2.gz AFEVZLSXEMZZSR-NSHDSACASA-N 0 0 230.286 3.702 10 0 BHAERN Cc1cccnc1N[C@H](C)c1ccc(F)cc1 ZINC000051041112 179396470 /nfs/dbraw/zinc/39/64/70/179396470.db2.gz AFEVZLSXEMZZSR-LLVKDONJSA-N 0 0 230.286 3.702 10 0 BHAERN O=C(Cc1ccsc1)c1ccc(Cl)s1 ZINC000051172292 343622946 /nfs/dbraw/zinc/62/29/46/343622946.db2.gz SABLBWFCNPGABP-UHFFFAOYSA-N 0 0 242.752 3.888 10 0 BHAERN O=C(Cc1cccs1)c1ccc(Cl)s1 ZINC000051172295 346974532 /nfs/dbraw/zinc/97/45/32/346974532.db2.gz MNODEQBYVTZDEF-UHFFFAOYSA-N 0 0 242.752 3.888 10 0 BHAERN O[C@@H](c1ccc(Cl)s1)C1=CCCCC1 ZINC000051173023 346974023 /nfs/dbraw/zinc/97/40/23/346974023.db2.gz WJMWJYQZUBFTEX-LLVKDONJSA-N 0 0 228.744 3.935 10 0 BHAERN O[C@H](c1ccc(Cl)s1)C1=CCCCC1 ZINC000051173025 346973961 /nfs/dbraw/zinc/97/39/61/346973961.db2.gz WJMWJYQZUBFTEX-NSHDSACASA-N 0 0 228.744 3.935 10 0 BHAERN CCC[C@@H](C)COc1ccc(C)cc1[C@H](C)O ZINC000051321395 169361384 /nfs/dbraw/zinc/36/13/84/169361384.db2.gz BNPJTQMKFVQKBO-OLZOCXBDSA-N 0 0 236.355 3.863 10 0 BHAERN CCC[C@@H](C)CSc1nc2cc(N)ccc2[nH]1 ZINC000051323460 169361617 /nfs/dbraw/zinc/36/16/17/169361617.db2.gz CRQOYMWXBGGBDJ-SECBINFHSA-N 0 0 249.383 3.673 10 0 BHAERN CCOc1ccc(C)cc1C(=O)c1ccccc1 ZINC000051598668 170540017 /nfs/dbraw/zinc/54/00/17/170540017.db2.gz DBCVWUIFYSBIJB-UHFFFAOYSA-N 0 0 240.302 3.625 10 0 BHAERN CCOc1ccc(C)cc1[C@@H](O)c1ccsc1 ZINC000051600244 170540894 /nfs/dbraw/zinc/54/08/94/170540894.db2.gz FJWDEDHSHMWKBA-AWEZNQCLSA-N 0 0 248.347 3.537 10 0 BHAERN CCOc1ccc(C)cc1[C@H](O)C(CC)CC ZINC000051600452 170540385 /nfs/dbraw/zinc/54/03/85/170540385.db2.gz HELMBMKOCYDNSD-OAHLLOKOSA-N 0 0 236.355 3.863 10 0 BHAERN Cc1ccccc1COc1cc(Cl)ccc1N ZINC000051609041 179286086 /nfs/dbraw/zinc/28/60/86/179286086.db2.gz PCIHJAUDQFFEGM-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN CC[C@H](Nc1ccc(N)cc1F)c1ccccc1 ZINC000051626583 171550993 /nfs/dbraw/zinc/55/09/93/171550993.db2.gz ZKHRIJMWUQOKIH-AWEZNQCLSA-N 0 0 244.313 3.971 10 0 BHAERN CC[C@@H](Nc1ccc(N)cc1F)c1ccccc1 ZINC000051626585 170915809 /nfs/dbraw/zinc/91/58/09/170915809.db2.gz ZKHRIJMWUQOKIH-CQSZACIVSA-N 0 0 244.313 3.971 10 0 BHAERN CC[C@H](Nc1ccc(F)cn1)c1ccccc1 ZINC000051628802 322851039 /nfs/dbraw/zinc/85/10/39/322851039.db2.gz KLFOAHZJVAHHJE-ZDUSSCGKSA-N 0 0 230.286 3.784 10 0 BHAERN CC[C@@H](Nc1ccc(F)cn1)c1ccccc1 ZINC000051628804 322851148 /nfs/dbraw/zinc/85/11/48/322851148.db2.gz KLFOAHZJVAHHJE-CYBMUJFWSA-N 0 0 230.286 3.784 10 0 BHAERN CC[C@@H](Nc1nccnc1Cl)c1ccccc1 ZINC000051629749 170917462 /nfs/dbraw/zinc/91/74/62/170917462.db2.gz FYMOHSATCVBQLW-LLVKDONJSA-N 0 0 247.729 3.693 10 0 BHAERN Nc1cccc(N[C@H]2CCCc3ccccc32)c1 ZINC000051631100 181745758 /nfs/dbraw/zinc/74/57/58/181745758.db2.gz MYOXCQMKJHYMHO-INIZCTEOSA-N 0 0 238.334 3.758 10 0 BHAERN Cc1cccc(N[C@@H]2CCCc3ccccc32)n1 ZINC000051632559 179154845 /nfs/dbraw/zinc/15/48/45/179154845.db2.gz TUOZDSDVSVDPOI-OAHLLOKOSA-N 0 0 238.334 3.880 10 0 BHAERN Cc1cccc(N[C@H]2CCCc3ccccc32)n1 ZINC000051632560 179157917 /nfs/dbraw/zinc/15/79/17/179157917.db2.gz TUOZDSDVSVDPOI-HNNXBMFYSA-N 0 0 238.334 3.880 10 0 BHAERN Fc1ccc(N[C@H]2CCCc3ccccc32)nc1 ZINC000051632600 384702529 /nfs/dbraw/zinc/70/25/29/384702529.db2.gz VGLFHEKAZBXKEG-AWEZNQCLSA-N 0 0 242.297 3.710 10 0 BHAERN Fc1ccc(N[C@@H]2CCCc3ccccc32)nc1 ZINC000051632602 384702730 /nfs/dbraw/zinc/70/27/30/384702730.db2.gz VGLFHEKAZBXKEG-CQSZACIVSA-N 0 0 242.297 3.710 10 0 BHAERN Cc1csc(N[C@H]2CCCc3ccccc32)n1 ZINC000051632653 179790345 /nfs/dbraw/zinc/79/03/45/179790345.db2.gz CWUZDVYLZBZQMD-ZDUSSCGKSA-N 0 0 244.363 3.941 10 0 BHAERN Cc1cccc(CCNc2ccc(C)cc2N)c1 ZINC000051669311 179061764 /nfs/dbraw/zinc/06/17/64/179061764.db2.gz ZCLSWOYFMVICIA-UHFFFAOYSA-N 0 0 240.350 3.540 10 0 BHAERN CC[C@@H](C)c1nc(Cl)cc(C(C)C)n1 ZINC000051690399 350052798 /nfs/dbraw/zinc/05/27/98/350052798.db2.gz TTWYGOOUHRJPRA-MRVPVSSYSA-N 0 0 212.724 3.767 10 0 BHAERN CC[C@H](C)c1nc(Cl)cc(C(C)C)n1 ZINC000051690400 350053049 /nfs/dbraw/zinc/05/30/49/350053049.db2.gz TTWYGOOUHRJPRA-QMMMGPOBSA-N 0 0 212.724 3.767 10 0 BHAERN CCC(CC)c1nc(C)c(C)c(Cl)n1 ZINC000051690416 350052818 /nfs/dbraw/zinc/05/28/18/350052818.db2.gz YWYPTRMMAKUQCW-UHFFFAOYSA-N 0 0 212.724 3.650 10 0 BHAERN CCc1c(C)nc([C@@H](C)CC)nc1Cl ZINC000051690417 350052809 /nfs/dbraw/zinc/05/28/09/350052809.db2.gz WUTCYMVDVPRPQV-ZETCQYMHSA-N 0 0 212.724 3.514 10 0 BHAERN CCc1c(C)nc([C@H](C)CC)nc1Cl ZINC000051690418 350052900 /nfs/dbraw/zinc/05/29/00/350052900.db2.gz WUTCYMVDVPRPQV-SSDOTTSWSA-N 0 0 212.724 3.514 10 0 BHAERN CCC(CC)c1nc2c(c(Cl)n1)CCC2 ZINC000051690422 350053082 /nfs/dbraw/zinc/05/30/82/350053082.db2.gz BMVIIGHYSBGTGK-UHFFFAOYSA-N 0 0 224.735 3.522 10 0 BHAERN CC[C@@H](C)c1nc(Cl)c2c(n1)CCCC2 ZINC000051690423 350052812 /nfs/dbraw/zinc/05/28/12/350052812.db2.gz UKZOBIJTXNUGSV-MRVPVSSYSA-N 0 0 224.735 3.522 10 0 BHAERN CC[C@H](C)c1nc(Cl)c2c(n1)CCCC2 ZINC000051690424 343627827 /nfs/dbraw/zinc/62/78/27/343627827.db2.gz UKZOBIJTXNUGSV-QMMMGPOBSA-N 0 0 224.735 3.522 10 0 BHAERN CCC(CC)c1nc2c(s1)C(=O)CCC2 ZINC000051690526 350052875 /nfs/dbraw/zinc/05/28/75/350052875.db2.gz NJIKBDCGJAUVSN-UHFFFAOYSA-N 0 0 223.341 3.566 10 0 BHAERN CCCNc1nc([C@@H](C)CC)nc(C)c1CC ZINC000051690727 169295595 /nfs/dbraw/zinc/29/55/95/169295595.db2.gz FUYBHWDHIIHMQS-JTQLQIEISA-N 0 0 235.375 3.683 10 0 BHAERN CCCNc1nc([C@H](C)CC)nc(C)c1CC ZINC000051690728 169295415 /nfs/dbraw/zinc/29/54/15/169295415.db2.gz FUYBHWDHIIHMQS-SNVBAGLBSA-N 0 0 235.375 3.683 10 0 BHAERN CCCNc1cc(C(C)C)nc([C@@H](C)CC)n1 ZINC000051690753 169293344 /nfs/dbraw/zinc/29/33/44/169293344.db2.gz GPMHBHCHAUWYMZ-NSHDSACASA-N 0 0 235.375 3.935 10 0 BHAERN CCCNc1cc(C(C)C)nc([C@H](C)CC)n1 ZINC000051690754 169293510 /nfs/dbraw/zinc/29/35/10/169293510.db2.gz GPMHBHCHAUWYMZ-LLVKDONJSA-N 0 0 235.375 3.935 10 0 BHAERN CC[C@@H](C)c1nc(NC)cc(-c2ccccc2)n1 ZINC000051690819 170807174 /nfs/dbraw/zinc/80/71/74/170807174.db2.gz CPCLTJCLFAXKHC-LLVKDONJSA-N 0 0 241.338 3.699 10 0 BHAERN COCc1cc(Cl)c2cc(Cl)ccc2n1 ZINC000051699631 350051303 /nfs/dbraw/zinc/05/13/03/350051303.db2.gz MKIHUSBWTOPSPZ-UHFFFAOYSA-N 0 0 242.105 3.688 10 0 BHAERN COCc1cc(Cl)c2cccc(Cl)c2n1 ZINC000051699673 350051353 /nfs/dbraw/zinc/05/13/53/350051353.db2.gz HNVXNCYFAZMIDX-UHFFFAOYSA-N 0 0 242.105 3.688 10 0 BHAERN CCc1ccc(CN[C@@H](C)c2ccc(C)o2)o1 ZINC000051722830 398058683 /nfs/dbraw/zinc/05/86/83/398058683.db2.gz DCOKTCXJYHHNAH-NSHDSACASA-N 0 0 233.311 3.594 10 0 BHAERN CCc1ccc(CN[C@H](C)c2ccc(C)o2)o1 ZINC000051722833 398058779 /nfs/dbraw/zinc/05/87/79/398058779.db2.gz DCOKTCXJYHHNAH-LLVKDONJSA-N 0 0 233.311 3.594 10 0 BHAERN CCc1ccc(C(=O)Cc2ccc(C)cc2)o1 ZINC000051726349 171782861 /nfs/dbraw/zinc/78/28/61/171782861.db2.gz CISRIVUZAMQWBU-UHFFFAOYSA-N 0 0 228.291 3.576 10 0 BHAERN CCc1ccc(C(=O)c2ccc(Cl)s2)o1 ZINC000051726395 350070549 /nfs/dbraw/zinc/07/05/49/350070549.db2.gz GNQYJZLPTNLATJ-UHFFFAOYSA-N 0 0 240.711 3.788 10 0 BHAERN CC(=O)c1ccc(N2CC[C@@H](C)C[C@H]2C)cc1 ZINC000051732562 132361803 /nfs/dbraw/zinc/36/18/03/132361803.db2.gz AVLNIPFFYQFQSZ-VXGBXAGGSA-N 0 0 231.339 3.514 10 0 BHAERN CC(=O)c1ccc(N2CC[C@H](C)C[C@H]2C)cc1 ZINC000051732564 132361785 /nfs/dbraw/zinc/36/17/85/132361785.db2.gz AVLNIPFFYQFQSZ-NWDGAFQWSA-N 0 0 231.339 3.514 10 0 BHAERN Cc1cccc(C)c1NCC1(O)CCCCCC1 ZINC000051753898 179043116 /nfs/dbraw/zinc/04/31/16/179043116.db2.gz SFIDGIDJWPSKFD-UHFFFAOYSA-N 0 0 247.382 3.801 10 0 BHAERN CC1(C)Cc2cc(-c3ccccc3N)ccc2O1 ZINC000051755524 487964372 /nfs/dbraw/zinc/96/43/72/487964372.db2.gz IDKCEBVOZDOZHV-UHFFFAOYSA-N 0 0 239.318 3.649 10 0 BHAERN CC1(C)Cc2cc(-c3ccc(N)cc3)ccc2O1 ZINC000051755526 487964462 /nfs/dbraw/zinc/96/44/62/487964462.db2.gz SXFMPMWBQCYQKL-UHFFFAOYSA-N 0 0 239.318 3.649 10 0 BHAERN CC1(C)Cc2cc(-c3cccc(N)c3)ccc2O1 ZINC000051755528 566429436 /nfs/dbraw/zinc/42/94/36/566429436.db2.gz TZKHHHBANDXHKL-UHFFFAOYSA-N 0 0 239.318 3.649 10 0 BHAERN CC1(C)Cc2cc([C@@H](O)C3CCCC3)ccc2O1 ZINC000051755717 187271575 /nfs/dbraw/zinc/27/15/75/187271575.db2.gz STZRVBXTODHIGT-HNNXBMFYSA-N 0 0 246.350 3.624 10 0 BHAERN CCCOc1ccc(Nc2cccc(N)c2)cc1 ZINC000051785332 169319933 /nfs/dbraw/zinc/31/99/33/169319933.db2.gz KSOMGXBNKMRING-UHFFFAOYSA-N 0 0 242.322 3.801 10 0 BHAERN CCCOc1ccc2nccc(Cl)c2c1 ZINC000051786768 343628602 /nfs/dbraw/zinc/62/86/02/343628602.db2.gz PAMRMZHJAFFQDQ-UHFFFAOYSA-N 0 0 221.687 3.677 10 0 BHAERN CCc1cccc(CC)c1NCc1ccncc1 ZINC000051787589 188299611 /nfs/dbraw/zinc/29/96/11/188299611.db2.gz GGCCQZWEQINNJX-UHFFFAOYSA-N 0 0 240.350 3.819 10 0 BHAERN c1c[nH]c(CNc2cccc3ccccc32)c1 ZINC000051787863 183326960 /nfs/dbraw/zinc/32/69/60/183326960.db2.gz NTJNSZPEZPAUQE-UHFFFAOYSA-N 0 0 222.291 3.780 10 0 BHAERN c1c[nH]c(CNc2ccc3ccccc3c2)c1 ZINC000051788386 183325315 /nfs/dbraw/zinc/32/53/15/183325315.db2.gz UXKHQNRPBJFGFU-UHFFFAOYSA-N 0 0 222.291 3.780 10 0 BHAERN Cc1cc(C)c(C)c(Oc2ccnc(Cl)n2)c1 ZINC000051849027 177854168 /nfs/dbraw/zinc/85/41/68/177854168.db2.gz ZFZAZQRDGNHVTJ-UHFFFAOYSA-N 0 0 248.713 3.848 10 0 BHAERN CC(C)c1ccccc1Nc1ccnc(Cl)n1 ZINC000051849202 167640862 /nfs/dbraw/zinc/64/08/62/167640862.db2.gz YBHKZGRYQVKLCA-UHFFFAOYSA-N 0 0 247.729 3.997 10 0 BHAERN Clc1nccc(Nc2ccccc2Cl)n1 ZINC000051849270 350161339 /nfs/dbraw/zinc/16/13/39/350161339.db2.gz SHAQYVPOBVUFQQ-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN Clc1nccc(NC2CCCCCCC2)n1 ZINC000051849368 346147632 /nfs/dbraw/zinc/14/76/32/346147632.db2.gz YMWOTHVFEYKIJW-UHFFFAOYSA-N 0 0 239.750 3.655 10 0 BHAERN Clc1nccc(SC2CCCCC2)n1 ZINC000051850536 350227872 /nfs/dbraw/zinc/22/78/72/350227872.db2.gz ZWENHSIITHTUCO-UHFFFAOYSA-N 0 0 228.748 3.555 10 0 BHAERN Cc1cccc(Sc2ccnc(Cl)n2)c1 ZINC000051850544 350227981 /nfs/dbraw/zinc/22/79/81/350227981.db2.gz FMPXEGDSVZZMNN-UHFFFAOYSA-N 0 0 236.727 3.590 10 0 BHAERN Cc1ccccc1CCC(=O)Cc1ccccc1 ZINC000051985477 179260890 /nfs/dbraw/zinc/26/08/90/179260890.db2.gz MVPAHMYCEZYRGZ-UHFFFAOYSA-N 0 0 238.330 3.739 10 0 BHAERN S=c1[nH]ccn1Cc1cccc2ccccc21 ZINC000052062766 183314941 /nfs/dbraw/zinc/31/49/41/183314941.db2.gz ROVBYGVHGZUMAN-UHFFFAOYSA-N 0 0 240.331 3.747 10 0 BHAERN CC(C)(C)CC(C)(C)c1ccc2oc(=O)[nH]c2c1 ZINC000052066130 166554253 /nfs/dbraw/zinc/55/42/53/166554253.db2.gz ZFYGTIFMFSMTKE-UHFFFAOYSA-N 0 0 247.338 3.835 10 0 BHAERN Cc1cc2nc(Cl)oc2c(Br)c1 ZINC000052066156 350901908 /nfs/dbraw/zinc/90/19/08/350901908.db2.gz WDGCIWCUFLRBQZ-UHFFFAOYSA-N 0 0 246.491 3.552 10 0 BHAERN Cc1nc2ccccc2nc1NC1(C)CCCC1 ZINC000052099453 180105317 /nfs/dbraw/zinc/10/53/17/180105317.db2.gz DNPMBVYQZKRLAV-UHFFFAOYSA-N 0 0 241.338 3.683 10 0 BHAERN Nc1ccc(F)cc1NC1CCCCCCC1 ZINC000052119184 181711823 /nfs/dbraw/zinc/71/18/23/181711823.db2.gz WGQUECCUGPIQLL-UHFFFAOYSA-N 0 0 236.334 3.933 10 0 BHAERN CCC1CCC(Nc2cc(F)ccc2N)CC1 ZINC000052121445 168522736 /nfs/dbraw/zinc/52/27/36/168522736.db2.gz BASPHTBJDSKTAN-UHFFFAOYSA-N 0 0 236.334 3.789 10 0 BHAERN Cc1cccc(Oc2cc(F)ccc2N)c1C ZINC000052122228 179175616 /nfs/dbraw/zinc/17/56/16/179175616.db2.gz KAAPHXSFVWLRPQ-UHFFFAOYSA-N 0 0 231.270 3.817 10 0 BHAERN CC[C@H]1CCCC[C@H]1Oc1cc(F)ccc1N ZINC000052122263 171612899 /nfs/dbraw/zinc/61/28/99/171612899.db2.gz KDNVKMGEIRFCBN-GXFFZTMASA-N 0 0 237.318 3.756 10 0 BHAERN Nc1ccc(F)cc1Oc1ccc2c(c1)CCC2 ZINC000052122288 181712737 /nfs/dbraw/zinc/71/27/37/181712737.db2.gz KDGQXSDKKZDUHP-UHFFFAOYSA-N 0 0 243.281 3.689 10 0 BHAERN COc1cccc(Sc2cc(F)ccc2N)c1 ZINC000052122361 175285396 /nfs/dbraw/zinc/28/53/96/175285396.db2.gz ZJEVIOFMJIUDLU-UHFFFAOYSA-N 0 0 249.310 3.568 10 0 BHAERN Fc1ccc2[nH]c(=S)n(C3CCCC3)c2c1 ZINC000052122425 180984432 /nfs/dbraw/zinc/98/44/32/180984432.db2.gz PMBFIVYSYDJCEC-UHFFFAOYSA-N 0 0 236.315 3.953 10 0 BHAERN COc1ccccc1Sc1cc(F)ccc1N ZINC000052122467 175343737 /nfs/dbraw/zinc/34/37/37/175343737.db2.gz MMUNQJRYPXNQOP-UHFFFAOYSA-N 0 0 249.310 3.568 10 0 BHAERN CC(C)(C)n1c2cc(F)ccc2[nH]c1=S ZINC000052122469 188157207 /nfs/dbraw/zinc/15/72/07/188157207.db2.gz IDFDAELIULPVJE-UHFFFAOYSA-N 0 0 224.304 3.593 10 0 BHAERN Cc1cccc(CC(=O)c2cc(F)ccc2F)c1 ZINC000052127677 179052951 /nfs/dbraw/zinc/05/29/51/179052951.db2.gz BUPHQZYDMXICJL-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN Cc1cccc(CC(=O)c2ccc(F)cc2F)c1 ZINC000052127680 179053033 /nfs/dbraw/zinc/05/30/33/179053033.db2.gz RTGSQLHOTTVWKS-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN Cc1cccc(CC(=O)c2c(F)cccc2F)c1 ZINC000052136229 179052194 /nfs/dbraw/zinc/05/21/94/179052194.db2.gz XYGUSYMULAYRJV-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN Cc1ccc2[nH]c(Cc3cccc(C)c3)nc2c1 ZINC000052136523 188299525 /nfs/dbraw/zinc/29/95/25/188299525.db2.gz GIVWKIDCQXWXCF-UHFFFAOYSA-N 0 0 236.318 3.771 10 0 BHAERN Cc1cccc(C[C@H](O)c2ccc(C)cc2C)c1 ZINC000052137153 179106318 /nfs/dbraw/zinc/10/63/18/179106318.db2.gz AHLOYFGXUVCOQW-KRWDZBQOSA-N 0 0 240.346 3.888 10 0 BHAERN Cc1cccc(C[C@@H](O)c2ccc(C)cc2C)c1 ZINC000052137156 179103934 /nfs/dbraw/zinc/10/39/34/179103934.db2.gz AHLOYFGXUVCOQW-QGZVFWFLSA-N 0 0 240.346 3.888 10 0 BHAERN Cc1cccc(C[C@H](O)c2cc(C)ccc2C)c1 ZINC000052137182 179105659 /nfs/dbraw/zinc/10/56/59/179105659.db2.gz AZZBBGHKMGXCLN-KRWDZBQOSA-N 0 0 240.346 3.888 10 0 BHAERN Cc1cccc(C[C@@H](O)c2cc(C)ccc2C)c1 ZINC000052137185 179104440 /nfs/dbraw/zinc/10/44/40/179104440.db2.gz AZZBBGHKMGXCLN-QGZVFWFLSA-N 0 0 240.346 3.888 10 0 BHAERN Cc1ccc(F)cc1C(=O)C1CCCCC1 ZINC000052138470 346265578 /nfs/dbraw/zinc/26/55/78/346265578.db2.gz JJOBUWCFEKPWMX-UHFFFAOYSA-N 0 0 220.287 3.897 10 0 BHAERN Cc1cccc(C(=O)c2cc(F)ccc2C)c1 ZINC000052138508 179027370 /nfs/dbraw/zinc/02/73/70/179027370.db2.gz QRVXZNSAJBFPHN-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1cccc(CC(=O)c2cc(F)ccc2C)c1 ZINC000052138511 179052953 /nfs/dbraw/zinc/05/29/53/179052953.db2.gz PSPKQVBOKBCHDQ-UHFFFAOYSA-N 0 0 242.293 3.868 10 0 BHAERN Cc1ccc(F)cc1C(=O)CCc1ccccc1 ZINC000052138521 187271173 /nfs/dbraw/zinc/27/11/73/187271173.db2.gz VHLWYTPABBRAGQ-UHFFFAOYSA-N 0 0 242.293 3.950 10 0 BHAERN Cc1ccc(F)cc1C(=O)Cc1cccc(F)c1 ZINC000052138530 188299880 /nfs/dbraw/zinc/29/98/80/188299880.db2.gz ATBJOEBBBRDGDN-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN Cc1ccccc1[C@H](O)c1cc(F)ccc1C ZINC000052138714 179345412 /nfs/dbraw/zinc/34/54/12/179345412.db2.gz RGNBCMQZZUMTGL-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccccc1[C@@H](O)c1cc(F)ccc1C ZINC000052138718 179326506 /nfs/dbraw/zinc/32/65/06/179326506.db2.gz RGNBCMQZZUMTGL-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN CCCCc1ccc(NCC2CCOCC2)cc1 ZINC000052172052 322852666 /nfs/dbraw/zinc/85/26/66/322852666.db2.gz RDFBORPMDOAOEQ-UHFFFAOYSA-N 0 0 247.382 3.868 10 0 BHAERN CCc1ccccc1-c1nc(C)cc(Cl)n1 ZINC000052201172 171870449 /nfs/dbraw/zinc/87/04/49/171870449.db2.gz AHTOZSMGAYWYEX-UHFFFAOYSA-N 0 0 232.714 3.668 10 0 BHAERN CCCNc1ccnc(-c2ccccc2CC)n1 ZINC000052202286 169296229 /nfs/dbraw/zinc/29/62/29/169296229.db2.gz GGAWRWOKJNFYOE-UHFFFAOYSA-N 0 0 241.338 3.528 10 0 BHAERN CC(C)(C)[C@H](O)c1cccc(Br)c1 ZINC000052231702 350963498 /nfs/dbraw/zinc/96/34/98/350963498.db2.gz BDUZDSBMDHKEMQ-SNVBAGLBSA-N 0 0 243.144 3.529 10 0 BHAERN CC(C)(C)[C@@H](O)c1cccc(Br)c1 ZINC000052231705 350963510 /nfs/dbraw/zinc/96/35/10/350963510.db2.gz BDUZDSBMDHKEMQ-JTQLQIEISA-N 0 0 243.144 3.529 10 0 BHAERN CC[C@H](C(=O)OC)c1cccc2ccccc21 ZINC000052232875 350963331 /nfs/dbraw/zinc/96/33/31/350963331.db2.gz CEEKRVMFDDUZFZ-LBPRGKRZSA-N 0 0 228.291 3.506 10 0 BHAERN CC[C@@H](C(=O)OC)c1cccc2ccccc21 ZINC000052232877 350963491 /nfs/dbraw/zinc/96/34/91/350963491.db2.gz CEEKRVMFDDUZFZ-GFCCVEGCSA-N 0 0 228.291 3.506 10 0 BHAERN CCOC(=O)[C@@H](CC)c1cccc2ccccc21 ZINC000052232880 170251159 /nfs/dbraw/zinc/25/11/59/170251159.db2.gz XBJSXMVZQIZKPD-ZDUSSCGKSA-N 0 0 242.318 3.897 10 0 BHAERN CCOC(=O)[C@H](CC)c1cccc2ccccc21 ZINC000052232883 170272296 /nfs/dbraw/zinc/27/22/96/170272296.db2.gz XBJSXMVZQIZKPD-CYBMUJFWSA-N 0 0 242.318 3.897 10 0 BHAERN CC[C@H](C(=O)OC)c1cccc(Cl)c1Cl ZINC000052232897 346297664 /nfs/dbraw/zinc/29/76/64/346297664.db2.gz CMEJCJAKNLLZGD-ZETCQYMHSA-N 0 0 247.121 3.660 10 0 BHAERN CC[C@@H](C(=O)OC)c1cccc(Cl)c1Cl ZINC000052232900 346297577 /nfs/dbraw/zinc/29/75/77/346297577.db2.gz CMEJCJAKNLLZGD-SSDOTTSWSA-N 0 0 247.121 3.660 10 0 BHAERN CC[C@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000052233314 350963564 /nfs/dbraw/zinc/96/35/64/350963564.db2.gz YCVZTWVMPOKHLL-AWEZNQCLSA-N 0 0 228.291 3.506 10 0 BHAERN CC[C@@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000052233316 350963384 /nfs/dbraw/zinc/96/33/84/350963384.db2.gz YCVZTWVMPOKHLL-CQSZACIVSA-N 0 0 228.291 3.506 10 0 BHAERN CCOC(=O)[C@@H](CC)c1ccc2ccccc2c1 ZINC000052233322 170251003 /nfs/dbraw/zinc/25/10/03/170251003.db2.gz RRIAQQFDHJXWHW-HNNXBMFYSA-N 0 0 242.318 3.897 10 0 BHAERN CCOC(=O)[C@H](CC)c1ccc2ccccc2c1 ZINC000052233324 170272230 /nfs/dbraw/zinc/27/22/30/170272230.db2.gz RRIAQQFDHJXWHW-OAHLLOKOSA-N 0 0 242.318 3.897 10 0 BHAERN CCOC(=O)[C@@H](c1ccccc1Cl)C(C)C ZINC000052248311 346296133 /nfs/dbraw/zinc/29/61/33/346296133.db2.gz QFFRNUXSKAUWLO-GFCCVEGCSA-N 0 0 240.730 3.643 10 0 BHAERN CCOC(=O)[C@H](c1ccccc1Cl)C(C)C ZINC000052248312 346296265 /nfs/dbraw/zinc/29/62/65/346296265.db2.gz QFFRNUXSKAUWLO-LBPRGKRZSA-N 0 0 240.730 3.643 10 0 BHAERN C[C@@H]1C[C@@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000052270844 384713001 /nfs/dbraw/zinc/71/30/01/384713001.db2.gz HSKREXXJLAHYSN-BZNIZROVSA-N 0 0 235.330 3.754 10 0 BHAERN C[C@H]1C[C@@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000052270847 384712461 /nfs/dbraw/zinc/71/24/61/384712461.db2.gz HSKREXXJLAHYSN-ZBEGNZNMSA-N 0 0 235.330 3.754 10 0 BHAERN C[C@@H]1C[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000052270848 384712792 /nfs/dbraw/zinc/71/27/92/384712792.db2.gz HSKREXXJLAHYSN-BDJLRTHQSA-N 0 0 235.330 3.754 10 0 BHAERN C[C@H]1C[C@H]1[NH2+]C1c2ccccc2-c2ccccc21 ZINC000052270851 384713328 /nfs/dbraw/zinc/71/33/28/384713328.db2.gz HSKREXXJLAHYSN-MEDUHNTESA-N 0 0 235.330 3.754 10 0 BHAERN C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000052272335 384713942 /nfs/dbraw/zinc/71/39/42/384713942.db2.gz DVXRCNOZOFMMAW-YGRLFVJLSA-N 0 0 245.297 3.584 10 0 BHAERN C[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000052272338 384713380 /nfs/dbraw/zinc/71/33/80/384713380.db2.gz DVXRCNOZOFMMAW-QMTHXVAHSA-N 0 0 245.297 3.584 10 0 BHAERN C[C@@H]1C[C@@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000052291880 386906703 /nfs/dbraw/zinc/90/67/03/386906703.db2.gz HUQYFIBNVMVJCH-PELKAZGASA-N 0 0 232.714 3.709 10 0 BHAERN C[C@H]1C[C@@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000052291883 177350630 /nfs/dbraw/zinc/35/06/30/177350630.db2.gz HUQYFIBNVMVJCH-UFBFGSQYSA-N 0 0 232.714 3.709 10 0 BHAERN C[C@@H]1C[C@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000052291886 386905805 /nfs/dbraw/zinc/90/58/05/386905805.db2.gz HUQYFIBNVMVJCH-PRHODGIISA-N 0 0 232.714 3.709 10 0 BHAERN C[C@H]1C[C@H]1Nc1ccnc2cc(Cl)ccc21 ZINC000052291888 187531775 /nfs/dbraw/zinc/53/17/75/187531775.db2.gz HUQYFIBNVMVJCH-QPUJVOFHSA-N 0 0 232.714 3.709 10 0 BHAERN Cc1cc2c(n1[C@@H]1C[C@@H]1C)CC(C)(C)CC2=O ZINC000052299220 178293609 /nfs/dbraw/zinc/29/36/09/178293609.db2.gz CYIBIJPFHVJXCZ-JOYOIKCWSA-N 0 0 231.339 3.533 10 0 BHAERN Cc1cc2c(n1[C@H]1C[C@@H]1C)CC(C)(C)CC2=O ZINC000052299223 178292718 /nfs/dbraw/zinc/29/27/18/178292718.db2.gz CYIBIJPFHVJXCZ-CABZTGNLSA-N 0 0 231.339 3.533 10 0 BHAERN Cc1cc2c(n1[C@@H]1C[C@H]1C)CC(C)(C)CC2=O ZINC000052299225 178292627 /nfs/dbraw/zinc/29/26/27/178292627.db2.gz CYIBIJPFHVJXCZ-BXKDBHETSA-N 0 0 231.339 3.533 10 0 BHAERN Cc1cc2c(n1[C@H]1C[C@H]1C)CC(C)(C)CC2=O ZINC000052299227 178293363 /nfs/dbraw/zinc/29/33/63/178293363.db2.gz CYIBIJPFHVJXCZ-SKDRFNHKSA-N 0 0 231.339 3.533 10 0 BHAERN CC(C)(C)c1cc(=S)n(Cc2ccccc2)[nH]1 ZINC000052305010 350983173 /nfs/dbraw/zinc/98/31/73/350983173.db2.gz ZNVKWOMUAGWXTQ-UHFFFAOYSA-N 0 0 246.379 3.518 10 0 BHAERN Cc1ccccc1-n1[nH]c(C(C)(C)C)cc1=S ZINC000052305074 179242387 /nfs/dbraw/zinc/24/23/87/179242387.db2.gz HTGSRKDFLJWHBG-UHFFFAOYSA-N 0 0 246.379 3.767 10 0 BHAERN C[C@@H](C1CCCCC1)n1cc[nH]c1=S ZINC000052341325 350988577 /nfs/dbraw/zinc/98/85/77/350988577.db2.gz ANHWWLMDUZNOKI-VIFPVBQESA-N 0 0 210.346 3.687 10 0 BHAERN C[C@H](C1CCCCC1)n1cc[nH]c1=S ZINC000052341327 350988494 /nfs/dbraw/zinc/98/84/94/350988494.db2.gz ANHWWLMDUZNOKI-SECBINFHSA-N 0 0 210.346 3.687 10 0 BHAERN C[C@@H](C1CCCCC1)n1ccc2c1CCC[C@@H]2O ZINC000052342980 175637194 /nfs/dbraw/zinc/63/71/94/175637194.db2.gz XGIOTFSFSZSLGT-LRDDRELGSA-N 0 0 247.382 3.999 10 0 BHAERN C[C@H](C1CCCCC1)n1ccc2c1CCC[C@@H]2O ZINC000052342982 518181681 /nfs/dbraw/zinc/18/16/81/518181681.db2.gz XGIOTFSFSZSLGT-WBMJQRKESA-N 0 0 247.382 3.999 10 0 BHAERN CC(C)(C)SCc1cccnc1Cl ZINC000052728118 398215162 /nfs/dbraw/zinc/21/51/62/398215162.db2.gz VKCBRUCBIMGJGO-UHFFFAOYSA-N 0 0 215.749 3.767 10 0 BHAERN CCNc1cc(CO[C@@H]2CCCC[C@@H]2C)ccn1 ZINC000052754811 170172060 /nfs/dbraw/zinc/17/20/60/170172060.db2.gz ZWIJSBQKSCIMIS-GXTWGEPZSA-N 0 0 248.370 3.609 10 0 BHAERN CCNc1cc(CO[C@H]2CCCC[C@@H]2C)ccn1 ZINC000052754813 170171816 /nfs/dbraw/zinc/17/18/16/170171816.db2.gz ZWIJSBQKSCIMIS-JSGCOSHPSA-N 0 0 248.370 3.609 10 0 BHAERN CCNc1cc(CO[C@@H]2CCCC[C@H]2C)ccn1 ZINC000052754815 170171989 /nfs/dbraw/zinc/17/19/89/170171989.db2.gz ZWIJSBQKSCIMIS-TZMCWYRMSA-N 0 0 248.370 3.609 10 0 BHAERN CCNc1cc(CO[C@H]2CCCC[C@H]2C)ccn1 ZINC000052754816 170171998 /nfs/dbraw/zinc/17/19/98/170171998.db2.gz ZWIJSBQKSCIMIS-OCCSQVGLSA-N 0 0 248.370 3.609 10 0 BHAERN CNc1ncccc1CSc1ccccc1C ZINC000052756445 187271456 /nfs/dbraw/zinc/27/14/56/187271456.db2.gz MZOZEYNTRSUGLQ-UHFFFAOYSA-N 0 0 244.363 3.724 10 0 BHAERN Cc1cc(CNc2ccc(F)cc2C)c(C)n1C ZINC000052789625 178089781 /nfs/dbraw/zinc/08/97/81/178089781.db2.gz ILMIQMWLAJYLCG-UHFFFAOYSA-N 0 0 246.329 3.702 10 0 BHAERN Cc1cc(CNc2ccc(C)cc2F)c(C)n1C ZINC000052789790 178762701 /nfs/dbraw/zinc/76/27/01/178762701.db2.gz CLWMABBCOCWVSV-UHFFFAOYSA-N 0 0 246.329 3.702 10 0 BHAERN Cc1cc(CNc2cc(C)ccc2F)c(C)n1C ZINC000052789794 178677056 /nfs/dbraw/zinc/67/70/56/178677056.db2.gz DIUYNQPJEQVEKW-UHFFFAOYSA-N 0 0 246.329 3.702 10 0 BHAERN CC(C)[C@@H](C)Nc1nc(Cl)nc2ccccc21 ZINC000052811417 167387899 /nfs/dbraw/zinc/38/78/99/167387899.db2.gz NHAQJMHDLWSVSP-SECBINFHSA-N 0 0 249.745 3.740 10 0 BHAERN CC(C)[C@H](C)Nc1nc(Cl)nc2ccccc21 ZINC000052811418 187271497 /nfs/dbraw/zinc/27/14/97/187271497.db2.gz NHAQJMHDLWSVSP-VIFPVBQESA-N 0 0 249.745 3.740 10 0 BHAERN CC(C)Sc1nc(Cl)nc2ccccc21 ZINC000052811975 352989487 /nfs/dbraw/zinc/98/94/87/352989487.db2.gz QIUYKQURWSNHMF-UHFFFAOYSA-N 0 0 238.743 3.784 10 0 BHAERN Cc1cc(N)cnc1Oc1ccccc1C(C)C ZINC000052813638 178108438 /nfs/dbraw/zinc/10/84/38/178108438.db2.gz JNJAEPYXFPIXRN-UHFFFAOYSA-N 0 0 242.322 3.888 10 0 BHAERN Cc1ccc(Oc2cc(C)nc(Cl)n2)c(C)c1 ZINC000052813939 178820100 /nfs/dbraw/zinc/82/01/00/178820100.db2.gz RHKJUZSAULYMOG-UHFFFAOYSA-N 0 0 248.713 3.848 10 0 BHAERN Cc1cc(Oc2ccc(C)c(C)c2)nc(Cl)n1 ZINC000052813956 178214762 /nfs/dbraw/zinc/21/47/62/178214762.db2.gz OJCMJLCXCWDEHY-UHFFFAOYSA-N 0 0 248.713 3.848 10 0 BHAERN Cc1cc(N(C)c2ccccc2C)nc(Cl)n1 ZINC000052814986 178102764 /nfs/dbraw/zinc/10/27/64/178102764.db2.gz FECRKLDPMPTPRS-UHFFFAOYSA-N 0 0 247.729 3.515 10 0 BHAERN Cc1cc(Sc2ccccc2)nc(Cl)n1 ZINC000052815173 352983477 /nfs/dbraw/zinc/98/34/77/352983477.db2.gz AVMNHSFJNUMTDG-UHFFFAOYSA-N 0 0 236.727 3.590 10 0 BHAERN N#CNc1cc(Cl)c(Cl)cc1Cl ZINC000052832076 343639763 /nfs/dbraw/zinc/63/97/63/343639763.db2.gz JTMKZDHAUOUZMX-UHFFFAOYSA-N 0 0 221.474 3.540 10 0 BHAERN CCCCc1ccc(-c2ccc(N)nc2)cc1 ZINC000052886408 169019670 /nfs/dbraw/zinc/01/96/70/169019670.db2.gz BJQJHVGEFPLPEH-UHFFFAOYSA-N 0 0 226.323 3.673 10 0 BHAERN Cc1ccc(C)c([C@](C)(O)c2ccccc2F)c1 ZINC000052887890 178503487 /nfs/dbraw/zinc/50/34/87/178503487.db2.gz UITDNJAGADWAML-MRXNPFEDSA-N 0 0 244.309 3.698 10 0 BHAERN O=C(C1CCCCC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000052897023 368332492 /nfs/dbraw/zinc/33/24/92/368332492.db2.gz XUMSWSWVIVWMQT-HIFRSBDPSA-N 0 0 249.398 3.748 10 0 BHAERN O=C(c1cccc(Cl)c1)c1ccccc1F ZINC000052897615 353129392 /nfs/dbraw/zinc/12/93/92/353129392.db2.gz XBLXVYYRKAJOGF-UHFFFAOYSA-N 0 0 234.657 3.710 10 0 BHAERN Cc1ccc(C(=O)c2ccccc2F)cc1F ZINC000052897629 353129414 /nfs/dbraw/zinc/12/94/14/353129414.db2.gz KRIZKUGFKXBYML-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN O=C(c1ccccc1F)c1ccccc1Cl ZINC000052897657 384101518 /nfs/dbraw/zinc/10/15/18/384101518.db2.gz CHFKMMGUOHCBCJ-UHFFFAOYSA-N 0 0 234.657 3.710 10 0 BHAERN Cc1ccc(F)cc1C(=O)c1ccccc1F ZINC000052897658 386320195 /nfs/dbraw/zinc/32/01/95/386320195.db2.gz VXAAMSAGGQNKGU-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN Cc1ccc(C[C@H](O)Cc2cccs2)cc1C ZINC000052900323 178652838 /nfs/dbraw/zinc/65/28/38/178652838.db2.gz QSZOOPMDVKTBET-AWEZNQCLSA-N 0 0 246.375 3.511 10 0 BHAERN CCC(CC)c1nn(C)c(N)c1-c1cccs1 ZINC000052901560 168411712 /nfs/dbraw/zinc/41/17/12/168411712.db2.gz UNBVXNOIJCMHHE-UHFFFAOYSA-N 0 0 249.383 3.634 10 0 BHAERN CCC[C@@H](C)c1nn(C)c(N)c1-c1cccs1 ZINC000052901574 169375482 /nfs/dbraw/zinc/37/54/82/169375482.db2.gz DWZVTVBEGXUUNZ-SECBINFHSA-N 0 0 249.383 3.634 10 0 BHAERN Cc1cccc(C)c1OCCc1ccccc1N ZINC000052918881 179048059 /nfs/dbraw/zinc/04/80/59/179048059.db2.gz LRWUODYEGVVTCV-UHFFFAOYSA-N 0 0 241.334 3.507 10 0 BHAERN Cc1cccc(OCCc2ccccc2N)c1C ZINC000052918892 179169625 /nfs/dbraw/zinc/16/96/25/179169625.db2.gz XDWGEJJYLSTLSE-UHFFFAOYSA-N 0 0 241.334 3.507 10 0 BHAERN C[C@H](OCCc1ccccc1N)c1ccccc1 ZINC000052918977 177021269 /nfs/dbraw/zinc/02/12/69/177021269.db2.gz RBCLTHZQZCITJC-ZDUSSCGKSA-N 0 0 241.334 3.589 10 0 BHAERN C[C@@H](OCCc1ccccc1N)c1ccccc1 ZINC000052918978 176002522 /nfs/dbraw/zinc/00/25/22/176002522.db2.gz RBCLTHZQZCITJC-CYBMUJFWSA-N 0 0 241.334 3.589 10 0 BHAERN Nc1ccccc1CCSc1ccc(F)cc1 ZINC000052919090 181753856 /nfs/dbraw/zinc/75/38/56/181753856.db2.gz MWCYHJIISGXCLM-UHFFFAOYSA-N 0 0 247.338 3.743 10 0 BHAERN Cc1cccc(SCCc2ccccc2N)c1 ZINC000052919158 179177578 /nfs/dbraw/zinc/17/75/78/179177578.db2.gz GBJKRNYCROJYJZ-UHFFFAOYSA-N 0 0 243.375 3.912 10 0 BHAERN C[C@H](O)c1ccc(-c2cccc3ncccc32)o1 ZINC000052924685 177016762 /nfs/dbraw/zinc/01/67/62/177016762.db2.gz HWTIXZNNFAUGEF-JTQLQIEISA-N 0 0 239.274 3.548 10 0 BHAERN C[C@H](O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000052924721 344973225 /nfs/dbraw/zinc/97/32/25/344973225.db2.gz FVZSNBLHGXNLKX-QMMMGPOBSA-N 0 0 222.671 3.653 10 0 BHAERN C[C@@H](O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000052924722 344973303 /nfs/dbraw/zinc/97/33/03/344973303.db2.gz FVZSNBLHGXNLKX-MRVPVSSYSA-N 0 0 222.671 3.653 10 0 BHAERN CCc1ccc([C@@H](NC)c2cc(C)ccc2F)o1 ZINC000052982848 171835270 /nfs/dbraw/zinc/83/52/70/171835270.db2.gz QRCILNDCHRRGCV-HNNXBMFYSA-N 0 0 247.313 3.598 10 0 BHAERN Cc1ccc(F)c(C(=O)Cc2ccccc2)c1 ZINC000052983776 187954030 /nfs/dbraw/zinc/95/40/30/187954030.db2.gz QCURNCZSYZMVRW-UHFFFAOYSA-N 0 0 228.266 3.560 10 0 BHAERN Cc1ccc2[nH]c(-c3cc(C)ccc3F)nc2c1 ZINC000052998327 178668907 /nfs/dbraw/zinc/66/89/07/178668907.db2.gz UTYPBOKKJWFTHM-UHFFFAOYSA-N 0 0 240.281 3.986 10 0 BHAERN Cc1ccc([C@@H](O)Cc2ccc(C)c(C)c2)s1 ZINC000053140435 178867698 /nfs/dbraw/zinc/86/76/98/178867698.db2.gz UFYSTPRTACMDJH-AWEZNQCLSA-N 0 0 246.375 3.949 10 0 BHAERN Cc1ccc(C)c(CCNc2ccccc2)c1 ZINC000053142973 187782148 /nfs/dbraw/zinc/78/21/48/187782148.db2.gz MCVGLMORMJEECI-UHFFFAOYSA-N 0 0 225.335 3.958 10 0 BHAERN CC[C@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000053146598 353844254 /nfs/dbraw/zinc/84/42/54/353844254.db2.gz WHSRMGWNIAGDDB-QMMMGPOBSA-N 0 0 247.121 3.660 10 0 BHAERN CC[C@@H](C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000053146602 353844269 /nfs/dbraw/zinc/84/42/69/353844269.db2.gz WHSRMGWNIAGDDB-MRVPVSSYSA-N 0 0 247.121 3.660 10 0 BHAERN OC1(c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000053146646 343644254 /nfs/dbraw/zinc/64/42/54/343644254.db2.gz UWHUZGOVKBSMIZ-UHFFFAOYSA-N 0 0 231.122 3.755 10 0 BHAERN CC1CCC(Nc2c(N)ccc(F)c2F)CC1 ZINC000053163712 168165295 /nfs/dbraw/zinc/16/52/95/168165295.db2.gz LYVMFAWAWBOMPE-UHFFFAOYSA-N 0 0 240.297 3.538 10 0 BHAERN CC1(Nc2c(N)ccc(F)c2F)CCCCC1 ZINC000053167400 168064032 /nfs/dbraw/zinc/06/40/32/168064032.db2.gz ZNIHGZVMAYGAHE-UHFFFAOYSA-N 0 0 240.297 3.682 10 0 BHAERN Cc1cccc(N(C)c2c(N)ccc(F)c2F)c1 ZINC000053167529 179118150 /nfs/dbraw/zinc/11/81/50/179118150.db2.gz ZRMJQCFZJPIALR-UHFFFAOYSA-N 0 0 248.276 3.623 10 0 BHAERN Cc1ccc(C)c(Oc2c(N)ccc(F)c2F)c1 ZINC000053168029 178491805 /nfs/dbraw/zinc/49/18/05/178491805.db2.gz JTEJWQRYGBPBJH-UHFFFAOYSA-N 0 0 249.260 3.956 10 0 BHAERN Cc1ccccc1Oc1c(N)ccc(F)c1F ZINC000053168041 179314196 /nfs/dbraw/zinc/31/41/96/179314196.db2.gz MTQHZKHHAPMYOP-UHFFFAOYSA-N 0 0 235.233 3.648 10 0 BHAERN CC1CCC(Oc2c(N)ccc(F)c2F)CC1 ZINC000053168113 168168253 /nfs/dbraw/zinc/16/82/53/168168253.db2.gz AGOVGSMJVUJRFY-UHFFFAOYSA-N 0 0 241.281 3.505 10 0 BHAERN C[C@H](Oc1c(N)ccc(F)c1F)c1ccccc1 ZINC000053168176 177022445 /nfs/dbraw/zinc/02/24/45/177022445.db2.gz NUTOTAGHDIGLRX-VIFPVBQESA-N 0 0 249.260 3.687 10 0 BHAERN C[C@@H](Oc1c(N)ccc(F)c1F)c1ccccc1 ZINC000053168178 176003725 /nfs/dbraw/zinc/00/37/25/176003725.db2.gz NUTOTAGHDIGLRX-SECBINFHSA-N 0 0 249.260 3.687 10 0 BHAERN CCOC(=O)[C@@H](c1ccc(CC)cc1)C(C)C ZINC000053296547 170256589 /nfs/dbraw/zinc/25/65/89/170256589.db2.gz KGYPPJDPZWBDDE-CQSZACIVSA-N 0 0 234.339 3.552 10 0 BHAERN CCOC(=O)[C@H](c1ccc(CC)cc1)C(C)C ZINC000053296550 170278748 /nfs/dbraw/zinc/27/87/48/170278748.db2.gz KGYPPJDPZWBDDE-AWEZNQCLSA-N 0 0 234.339 3.552 10 0 BHAERN CCc1ccc([C@@H](O)c2ccc(F)c(C)c2)cc1 ZINC000053296948 171836503 /nfs/dbraw/zinc/83/65/03/171836503.db2.gz ZPGHRXOFLOHKJQ-MRXNPFEDSA-N 0 0 244.309 3.778 10 0 BHAERN CCc1ccc([C@@H](O)c2cc(F)ccc2C)cc1 ZINC000053296984 187781822 /nfs/dbraw/zinc/78/18/22/187781822.db2.gz HQMSVAUVASFZJD-MRXNPFEDSA-N 0 0 244.309 3.778 10 0 BHAERN CC[C@@](O)(Cc1c(C)cc(C)cc1C)C(C)C ZINC000053300686 171194770 /nfs/dbraw/zinc/19/47/70/171194770.db2.gz CTZTVXWQGKPAGC-MRXNPFEDSA-N 0 0 234.383 3.951 10 0 BHAERN CC[C@](O)(Cc1c(C)cc(C)cc1C)C(C)C ZINC000053300688 171710011 /nfs/dbraw/zinc/71/00/11/171710011.db2.gz CTZTVXWQGKPAGC-INIZCTEOSA-N 0 0 234.383 3.951 10 0 BHAERN Cc1cc(C)c(C[C@H](O)c2ccccc2)c(C)c1 ZINC000053300912 177863055 /nfs/dbraw/zinc/86/30/55/177863055.db2.gz MQHLLDXLEHQRKL-KRWDZBQOSA-N 0 0 240.346 3.888 10 0 BHAERN CCOC(=O)[C@@H](c1cc(C)ccc1C)C(C)C ZINC000053302961 170256432 /nfs/dbraw/zinc/25/64/32/170256432.db2.gz SOXCJMPUMCHKII-CQSZACIVSA-N 0 0 234.339 3.606 10 0 BHAERN CCOC(=O)[C@H](c1cc(C)ccc1C)C(C)C ZINC000053302963 170279043 /nfs/dbraw/zinc/27/90/43/170279043.db2.gz SOXCJMPUMCHKII-AWEZNQCLSA-N 0 0 234.339 3.606 10 0 BHAERN CCOC(=O)[C@@H](c1ccc(C)c(C)c1)C(C)C ZINC000053303498 170256380 /nfs/dbraw/zinc/25/63/80/170256380.db2.gz DCNOZNVWNXXUIH-CQSZACIVSA-N 0 0 234.339 3.606 10 0 BHAERN CCOC(=O)[C@H](c1ccc(C)c(C)c1)C(C)C ZINC000053303500 170278722 /nfs/dbraw/zinc/27/87/22/170278722.db2.gz DCNOZNVWNXXUIH-AWEZNQCLSA-N 0 0 234.339 3.606 10 0 BHAERN C=CC(=O)Nc1cccc(CCCCC)c1 ZINC000053313004 188339096 /nfs/dbraw/zinc/33/90/96/188339096.db2.gz GZMVBJPEUJXKBW-UHFFFAOYSA-N 0 0 217.312 3.544 10 0 BHAERN COc1ccc(-c2cccc(C)c2C)cc1C=O ZINC000053327816 175034640 /nfs/dbraw/zinc/03/46/40/175034640.db2.gz QLGWTCIPOMOCIG-UHFFFAOYSA-N 0 0 240.302 3.792 10 0 BHAERN Cc1cccc(-c2ccc(C=O)cc2)c1C ZINC000053327826 384784139 /nfs/dbraw/zinc/78/41/39/384784139.db2.gz YEYBHBZBJXFESX-UHFFFAOYSA-N 0 0 210.276 3.783 10 0 BHAERN Cc1cccc(-c2cccc(C=O)c2)c1C ZINC000053327842 634158178 /nfs/dbraw/zinc/15/81/78/634158178.db2.gz FQDGVGAPOMGLEK-UHFFFAOYSA-N 0 0 210.276 3.783 10 0 BHAERN Cc1cccc(-c2ccccc2C=O)c1C ZINC000053327850 346871431 /nfs/dbraw/zinc/87/14/31/346871431.db2.gz MPKDUIOSUDJORN-UHFFFAOYSA-N 0 0 210.276 3.783 10 0 BHAERN CCOC(=O)[C@@H](c1cccc(C)c1C)C(C)C ZINC000053328075 170255999 /nfs/dbraw/zinc/25/59/99/170255999.db2.gz JAWGTLRDDDYVIO-CQSZACIVSA-N 0 0 234.339 3.606 10 0 BHAERN CCOC(=O)[C@H](c1cccc(C)c1C)C(C)C ZINC000053328078 170278645 /nfs/dbraw/zinc/27/86/45/170278645.db2.gz JAWGTLRDDDYVIO-AWEZNQCLSA-N 0 0 234.339 3.606 10 0 BHAERN Cc1cccc([C@@](C)(O)c2ccccc2C)c1C ZINC000053328225 179351159 /nfs/dbraw/zinc/35/11/59/179351159.db2.gz DPURAGUJHLQOQK-KRWDZBQOSA-N 0 0 240.346 3.868 10 0 BHAERN Cc1cccc([C@](C)(O)c2ccccc2C)c1C ZINC000053328229 179332734 /nfs/dbraw/zinc/33/27/34/179332734.db2.gz DPURAGUJHLQOQK-QGZVFWFLSA-N 0 0 240.346 3.868 10 0 BHAERN Cc1cccc([C@](C)(O)c2ccccc2F)c1C ZINC000053328257 179205731 /nfs/dbraw/zinc/20/57/31/179205731.db2.gz PDCKKYOTPCQLQI-INIZCTEOSA-N 0 0 244.309 3.698 10 0 BHAERN Cc1cccc([C@@](C)(O)c2ccccc2F)c1C ZINC000053328260 179192356 /nfs/dbraw/zinc/19/23/56/179192356.db2.gz PDCKKYOTPCQLQI-MRXNPFEDSA-N 0 0 244.309 3.698 10 0 BHAERN Cc1cccc(C(=O)c2cccc(F)c2)c1C ZINC000053328769 356611040 /nfs/dbraw/zinc/61/10/40/356611040.db2.gz JAOUOCOYTSNOQJ-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1cccc(C(=O)c2ccccc2C)c1C ZINC000053328786 356611379 /nfs/dbraw/zinc/61/13/79/356611379.db2.gz JONATIYWVQVCAI-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN Cc1cccc(C(=O)c2cccc(C)c2C)c1 ZINC000053328790 179027485 /nfs/dbraw/zinc/02/74/85/179027485.db2.gz BFFCJUOFCXBTSI-UHFFFAOYSA-N 0 0 224.303 3.843 10 0 BHAERN Cc1cccc(C(=O)c2ccc(C)c(F)c2)c1C ZINC000053328793 356611972 /nfs/dbraw/zinc/61/19/72/356611972.db2.gz VZRCKTQBBLCMLY-UHFFFAOYSA-N 0 0 242.293 3.982 10 0 BHAERN Cc1cccc(C(=O)c2ccc(F)c(C)c2)c1C ZINC000053328805 356611796 /nfs/dbraw/zinc/61/17/96/356611796.db2.gz HCJCSEVTCSZKPT-UHFFFAOYSA-N 0 0 242.293 3.982 10 0 BHAERN Cc1cccc(C(=O)c2cc(F)cc(F)c2)c1C ZINC000053328823 356612929 /nfs/dbraw/zinc/61/29/29/356612929.db2.gz UCKWCVWURNCKSS-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1cccc(C(=O)c2cc(F)ccc2C)c1C ZINC000053328842 356615794 /nfs/dbraw/zinc/61/57/94/356615794.db2.gz OODUQRAOGPXWON-UHFFFAOYSA-N 0 0 242.293 3.982 10 0 BHAERN Cc1cccc([C@H](O)c2ccc(F)c(C)c2)c1C ZINC000053329055 178238884 /nfs/dbraw/zinc/23/88/84/178238884.db2.gz NKBCGBMTCGWWSZ-MRXNPFEDSA-N 0 0 244.309 3.833 10 0 BHAERN Cc1cccc([C@@H](O)c2ccc(F)c(C)c2)c1C ZINC000053329059 178263758 /nfs/dbraw/zinc/26/37/58/178263758.db2.gz NKBCGBMTCGWWSZ-INIZCTEOSA-N 0 0 244.309 3.833 10 0 BHAERN Cc1cccc(C[C@H](O)c2cccc(C)c2C)c1 ZINC000053329181 179106382 /nfs/dbraw/zinc/10/63/82/179106382.db2.gz MZZZJFYIPJWLTI-KRWDZBQOSA-N 0 0 240.346 3.888 10 0 BHAERN Cc1cccc(C[C@@H](O)c2cccc(C)c2C)c1 ZINC000053329186 179104163 /nfs/dbraw/zinc/10/41/63/179104163.db2.gz MZZZJFYIPJWLTI-QGZVFWFLSA-N 0 0 240.346 3.888 10 0 BHAERN CCCc1ccc(O)c(C(=O)C(C)(C)C)c1 ZINC000053333166 634158809 /nfs/dbraw/zinc/15/88/09/634158809.db2.gz IOCBVBHVQRUMRB-UHFFFAOYSA-N 0 0 220.312 3.574 10 0 BHAERN CCCc1ccc(O)c(C(=O)CC(C)C)c1 ZINC000053333168 633727911 /nfs/dbraw/zinc/72/79/11/633727911.db2.gz LQFRPKCKXNLFFF-UHFFFAOYSA-N 0 0 220.312 3.574 10 0 BHAERN Cc1cccc(NCCN(C)c2ccccc2)c1 ZINC000053343509 179145329 /nfs/dbraw/zinc/14/53/29/179145329.db2.gz RXKQBTRTRRJQSJ-UHFFFAOYSA-N 0 0 240.350 3.543 10 0 BHAERN C[C@@H]1CC=CC[C@@H]1COCCNc1ccccc1 ZINC000053562103 176059291 /nfs/dbraw/zinc/05/92/91/176059291.db2.gz RKIIXALEDDJBOD-HUUCEWRRSA-N 0 0 245.366 3.717 10 0 BHAERN C[C@H]1CC=CC[C@@H]1COCCNc1ccccc1 ZINC000053562106 187437743 /nfs/dbraw/zinc/43/77/43/187437743.db2.gz RKIIXALEDDJBOD-LSDHHAIUSA-N 0 0 245.366 3.717 10 0 BHAERN C[C@H](CNc1ccccc1)Sc1ccccn1 ZINC000053614481 176687292 /nfs/dbraw/zinc/68/72/92/176687292.db2.gz FSNFCFKCVXLJCM-GFCCVEGCSA-N 0 0 244.363 3.674 10 0 BHAERN O=C(c1cccs1)C1CCCCCC1 ZINC000053713807 343651971 /nfs/dbraw/zinc/65/19/71/343651971.db2.gz QVHSYDSOMSIYSV-UHFFFAOYSA-N 0 0 208.326 3.901 10 0 BHAERN Cc1ccc(C(=O)C2CCCCCC2)o1 ZINC000053713907 357157345 /nfs/dbraw/zinc/15/73/45/357157345.db2.gz PLZMQMUDGGEGLU-UHFFFAOYSA-N 0 0 206.285 3.741 10 0 BHAERN O=C(Cc1ccsc1)C1CCCCCC1 ZINC000053714963 357158229 /nfs/dbraw/zinc/15/82/29/357158229.db2.gz VAPZGEBBBYQXGN-UHFFFAOYSA-N 0 0 222.353 3.830 10 0 BHAERN COc1ccc(CC(=O)C2CCCCCC2)cc1 ZINC000053714974 187437494 /nfs/dbraw/zinc/43/74/94/187437494.db2.gz CYKDWTOODNPHTP-UHFFFAOYSA-N 0 0 246.350 3.777 10 0 BHAERN COc1cccc(CC(=O)C2CCCCCC2)c1 ZINC000053714982 187272509 /nfs/dbraw/zinc/27/25/09/187272509.db2.gz QQJVZFPDIRDNSM-UHFFFAOYSA-N 0 0 246.350 3.777 10 0 BHAERN CC(C)Cc1c(N)onc1C1CCCCCC1 ZINC000053715153 187610948 /nfs/dbraw/zinc/61/09/48/187610948.db2.gz RFAYXYIHLIMUQA-UHFFFAOYSA-N 0 0 236.359 3.893 10 0 BHAERN O[C@@H](c1cccs1)C1CCCCCC1 ZINC000053715906 357158275 /nfs/dbraw/zinc/15/82/75/357158275.db2.gz DENVVMHVHBZGGW-GFCCVEGCSA-N 0 0 210.342 3.752 10 0 BHAERN O[C@H](c1cccs1)C1CCCCCC1 ZINC000053715908 357158259 /nfs/dbraw/zinc/15/82/59/357158259.db2.gz DENVVMHVHBZGGW-LBPRGKRZSA-N 0 0 210.342 3.752 10 0 BHAERN Cc1ccc(N)cc1N1CCCc2ccccc21 ZINC000053734411 132363529 /nfs/dbraw/zinc/36/35/29/132363529.db2.gz VHTGHGLAOZEXAP-UHFFFAOYSA-N 0 0 238.334 3.662 10 0 BHAERN Cc1ccc(N)cc1NCc1ccccc1Cl ZINC000053734570 178710163 /nfs/dbraw/zinc/71/01/63/178710163.db2.gz GMUNGTUXXVUBAG-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1ccc(N)cc1Nc1cc(F)ccc1C ZINC000053734771 178710029 /nfs/dbraw/zinc/71/00/29/178710029.db2.gz YEINDZDJKCMWBT-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1ccc(N)cc1Nc1ccc(F)cc1C ZINC000053734785 178090659 /nfs/dbraw/zinc/09/06/59/178090659.db2.gz HPAOERDNLXTWDN-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1cccc(Nc2cc(N)ccc2C)c1C ZINC000053734789 178710002 /nfs/dbraw/zinc/71/00/02/178710002.db2.gz YYRFTNNVSMNUPL-UHFFFAOYSA-N 0 0 226.323 3.938 10 0 BHAERN Cc1ccccc1CN(C)c1cc(N)ccc1C ZINC000053735036 179272474 /nfs/dbraw/zinc/27/24/74/179272474.db2.gz FSXHYEJVSFQDEQ-UHFFFAOYSA-N 0 0 240.350 3.522 10 0 BHAERN COc1ccc(Nc2cc(N)ccc2C)cc1C ZINC000053735342 175156157 /nfs/dbraw/zinc/15/61/57/175156157.db2.gz IKSNHBNTAGHTQH-UHFFFAOYSA-N 0 0 242.322 3.638 10 0 BHAERN Cc1ccc(CNc2cc(N)ccc2C)s1 ZINC000053735567 178637074 /nfs/dbraw/zinc/63/70/74/178637074.db2.gz AUYBEOUNEGZTBI-UHFFFAOYSA-N 0 0 232.352 3.559 10 0 BHAERN Cc1ccc(N)cc1Sc1ccccc1 ZINC000053735657 348728065 /nfs/dbraw/zinc/72/80/65/348728065.db2.gz XTEGKJLIHFHKRY-UHFFFAOYSA-N 0 0 215.321 3.728 10 0 BHAERN Cc1ccc(N)cc1Sc1cccs1 ZINC000053735694 357164063 /nfs/dbraw/zinc/16/40/63/357164063.db2.gz XGLOKLJJGSJONI-UHFFFAOYSA-N 0 0 221.350 3.790 10 0 BHAERN COc1ccccc1Sc1cc(N)ccc1C ZINC000053735721 175343611 /nfs/dbraw/zinc/34/36/11/175343611.db2.gz HBYCCTSLAKKKFC-UHFFFAOYSA-N 0 0 245.347 3.737 10 0 BHAERN CC(C)Nc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000053750620 167149556 /nfs/dbraw/zinc/14/95/56/167149556.db2.gz LRLOXECQHBOPDS-UHFFFAOYSA-N 0 0 245.326 3.680 10 0 BHAERN C[C@@H]1CCC[C@H](c2noc(NC(C)(C)C)n2)C1 ZINC000053750828 176146776 /nfs/dbraw/zinc/14/67/76/176146776.db2.gz XMLUEOZSKYWHMT-ZJUUUORDSA-N 0 0 237.347 3.574 10 0 BHAERN C[C@H]1CCC[C@H](c2noc(NC(C)(C)C)n2)C1 ZINC000053750829 177139279 /nfs/dbraw/zinc/13/92/79/177139279.db2.gz XMLUEOZSKYWHMT-UWVGGRQHSA-N 0 0 237.347 3.574 10 0 BHAERN C[C@@H]1CCC[C@@H](c2noc(NC(C)(C)C)n2)C1 ZINC000053750831 176126203 /nfs/dbraw/zinc/12/62/03/176126203.db2.gz XMLUEOZSKYWHMT-NXEZZACHSA-N 0 0 237.347 3.574 10 0 BHAERN C[C@H]1CCC[C@@H](c2noc(NC(C)(C)C)n2)C1 ZINC000053750832 177123465 /nfs/dbraw/zinc/12/34/65/177123465.db2.gz XMLUEOZSKYWHMT-VHSXEESVSA-N 0 0 237.347 3.574 10 0 BHAERN O[C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000053751752 259372454 /nfs/dbraw/zinc/37/24/54/259372454.db2.gz VARNYOCYOFPJPY-KWQFWETISA-N 0 0 231.122 3.622 10 0 BHAERN O[C@@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000053751755 259372674 /nfs/dbraw/zinc/37/26/74/259372674.db2.gz VARNYOCYOFPJPY-GZMMTYOYSA-N 0 0 231.122 3.622 10 0 BHAERN O[C@@H]1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000053751756 259372631 /nfs/dbraw/zinc/37/26/31/259372631.db2.gz VARNYOCYOFPJPY-LDYMZIIASA-N 0 0 231.122 3.622 10 0 BHAERN COc1cccc(C(=O)CC2CCCCC2)c1 ZINC000053762564 175242058 /nfs/dbraw/zinc/24/20/58/175242058.db2.gz UCICUBWTPRTARQ-UHFFFAOYSA-N 0 0 232.323 3.848 10 0 BHAERN CCOc1cccc(C(=O)Cc2cccs2)c1 ZINC000053762661 357171470 /nfs/dbraw/zinc/17/14/70/357171470.db2.gz BTWWSYATYWSTBH-UHFFFAOYSA-N 0 0 246.331 3.572 10 0 BHAERN O=C(CC1CCCC1)c1cccc(F)c1 ZINC000053763047 357171551 /nfs/dbraw/zinc/17/15/51/357171551.db2.gz BNCXEYWHHXFEPE-UHFFFAOYSA-N 0 0 206.260 3.589 10 0 BHAERN O=C(Cc1ccc(Cl)s1)c1cccs1 ZINC000053763151 357171478 /nfs/dbraw/zinc/17/14/78/357171478.db2.gz CZABJBVVGLYXLF-UHFFFAOYSA-N 0 0 242.752 3.888 10 0 BHAERN O=C(Cc1ccc(Cl)s1)c1ccsc1 ZINC000053764147 357171463 /nfs/dbraw/zinc/17/14/63/357171463.db2.gz YCXTZAPJEBLQJO-UHFFFAOYSA-N 0 0 242.752 3.888 10 0 BHAERN Cc1cccc(C(=O)Cc2cccc(F)c2F)c1 ZINC000053765590 348728504 /nfs/dbraw/zinc/72/85/04/348728504.db2.gz LTGLCABBOXTHGH-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN CCC(=O)Cc1ccc(C(C)(C)C)cc1 ZINC000053765666 168210094 /nfs/dbraw/zinc/21/00/94/168210094.db2.gz TWRDJEVGKJUIGA-UHFFFAOYSA-N 0 0 204.313 3.506 10 0 BHAERN CCCC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000053765932 357171603 /nfs/dbraw/zinc/17/16/03/357171603.db2.gz UMNIERRCITYMFT-UHFFFAOYSA-N 0 0 230.229 3.617 10 0 BHAERN CC(C)(C)C(=O)Cc1ccc(F)cc1Cl ZINC000053766197 357171429 /nfs/dbraw/zinc/17/14/29/357171429.db2.gz YIVKPYJYFSFOFJ-UHFFFAOYSA-N 0 0 228.694 3.637 10 0 BHAERN CC(C)(C)C(=O)Cc1ccc(Cl)s1 ZINC000053766201 357171426 /nfs/dbraw/zinc/17/14/26/357171426.db2.gz MMKJJDWTGNPZQM-UHFFFAOYSA-N 0 0 216.733 3.559 10 0 BHAERN Cc1cc(C(=O)Cc2cccs2)ccc1F ZINC000053766661 357171493 /nfs/dbraw/zinc/17/14/93/357171493.db2.gz FZGRKKATDUAANT-UHFFFAOYSA-N 0 0 234.295 3.621 10 0 BHAERN O=C(Cc1ccc(Cl)s1)C1CCCC1 ZINC000053766828 343652308 /nfs/dbraw/zinc/65/23/08/343652308.db2.gz RIFNPQLITVAOAT-UHFFFAOYSA-N 0 0 228.744 3.703 10 0 BHAERN COc1ccccc1CC(=O)CCC(C)(C)C ZINC000053767356 175320639 /nfs/dbraw/zinc/32/06/39/175320639.db2.gz KFKVRLDVHKKHOF-UHFFFAOYSA-N 0 0 234.339 3.633 10 0 BHAERN COc1cccc(CC(=O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000053779995 175250505 /nfs/dbraw/zinc/25/05/05/175250505.db2.gz UYYSZRIXVPPXIK-OCCSQVGLSA-N 0 0 246.350 3.633 10 0 BHAERN COc1cccc(CC(=O)[C@H]2CCC[C@H](C)C2)c1 ZINC000053779996 175250869 /nfs/dbraw/zinc/25/08/69/175250869.db2.gz UYYSZRIXVPPXIK-JSGCOSHPSA-N 0 0 246.350 3.633 10 0 BHAERN COc1cccc(CC(=O)[C@@H]2CCC[C@@H](C)C2)c1 ZINC000053779998 175250596 /nfs/dbraw/zinc/25/05/96/175250596.db2.gz UYYSZRIXVPPXIK-TZMCWYRMSA-N 0 0 246.350 3.633 10 0 BHAERN COc1cccc(CC(=O)[C@@H]2CCC[C@H](C)C2)c1 ZINC000053779999 175251073 /nfs/dbraw/zinc/25/10/73/175251073.db2.gz UYYSZRIXVPPXIK-GXTWGEPZSA-N 0 0 246.350 3.633 10 0 BHAERN C[C@@H]1CCC[C@H](C(=O)Cc2cccs2)C1 ZINC000053780002 357175357 /nfs/dbraw/zinc/17/53/57/357175357.db2.gz KTKQTHQIKOQUFY-MNOVXSKESA-N 0 0 222.353 3.686 10 0 BHAERN C[C@H]1CCC[C@H](C(=O)Cc2cccs2)C1 ZINC000053780003 357175568 /nfs/dbraw/zinc/17/55/68/357175568.db2.gz KTKQTHQIKOQUFY-QWRGUYRKSA-N 0 0 222.353 3.686 10 0 BHAERN C[C@@H]1CCC[C@@H](C(=O)Cc2cccs2)C1 ZINC000053780004 357175101 /nfs/dbraw/zinc/17/51/01/357175101.db2.gz KTKQTHQIKOQUFY-GHMZBOCLSA-N 0 0 222.353 3.686 10 0 BHAERN C[C@H]1CCC[C@@H](C(=O)Cc2cccs2)C1 ZINC000053780006 357175413 /nfs/dbraw/zinc/17/54/13/357175413.db2.gz KTKQTHQIKOQUFY-WDEREUQCSA-N 0 0 222.353 3.686 10 0 BHAERN CC1CCC(C(=O)Cc2cccs2)CC1 ZINC000053780226 357175471 /nfs/dbraw/zinc/17/54/71/357175471.db2.gz FUHNLIIYFNMZIK-UHFFFAOYSA-N 0 0 222.353 3.686 10 0 BHAERN CC1CCC(C(=O)Cc2ccsc2)CC1 ZINC000053780248 357174140 /nfs/dbraw/zinc/17/41/40/357174140.db2.gz NSKPDRHSZZIOLG-UHFFFAOYSA-N 0 0 222.353 3.686 10 0 BHAERN Cc1ccc(F)cc1C(=O)Cc1cccs1 ZINC000053780447 357179082 /nfs/dbraw/zinc/17/90/82/357179082.db2.gz MWLHODSYSMBCGK-UHFFFAOYSA-N 0 0 234.295 3.621 10 0 BHAERN O[C@H](Cc1ccc(Cl)s1)c1cccs1 ZINC000053782096 357179197 /nfs/dbraw/zinc/17/91/97/357179197.db2.gz UIXNYIHZDMKGHW-MRVPVSSYSA-N 0 0 244.768 3.739 10 0 BHAERN O[C@@H](Cc1ccc(Cl)s1)c1cccs1 ZINC000053782097 357178984 /nfs/dbraw/zinc/17/89/84/357178984.db2.gz UIXNYIHZDMKGHW-QMMMGPOBSA-N 0 0 244.768 3.739 10 0 BHAERN CCCC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000053782188 357179171 /nfs/dbraw/zinc/17/91/71/357179171.db2.gz FLTAFTCOWNBHTL-NSHDSACASA-N 0 0 232.245 3.929 10 0 BHAERN CCCC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000053782190 357179003 /nfs/dbraw/zinc/17/90/03/357179003.db2.gz FLTAFTCOWNBHTL-LLVKDONJSA-N 0 0 232.245 3.929 10 0 BHAERN O[C@@H](Cc1cccc2ccccc21)c1cccnc1 ZINC000053782980 183183893 /nfs/dbraw/zinc/18/38/93/183183893.db2.gz BHWPMNNRIYGTBL-KRWDZBQOSA-N 0 0 249.313 3.511 10 0 BHAERN O[C@H](Cc1cccc2ccccc21)c1cccnc1 ZINC000053782981 183227583 /nfs/dbraw/zinc/22/75/83/183227583.db2.gz BHWPMNNRIYGTBL-QGZVFWFLSA-N 0 0 249.313 3.511 10 0 BHAERN O[C@@H](Cc1ccc(Cl)s1)c1ccsc1 ZINC000053783178 357180045 /nfs/dbraw/zinc/18/00/45/357180045.db2.gz JWNUNTBVUCSUHH-VIFPVBQESA-N 0 0 244.768 3.739 10 0 BHAERN O[C@H](Cc1ccc(Cl)s1)c1ccsc1 ZINC000053783179 357180054 /nfs/dbraw/zinc/18/00/54/357180054.db2.gz JWNUNTBVUCSUHH-SECBINFHSA-N 0 0 244.768 3.739 10 0 BHAERN O[C@H](CC1CCCCC1)c1ccsc1 ZINC000053783180 357180024 /nfs/dbraw/zinc/18/00/24/357180024.db2.gz QBWPEDDKCKAADX-GFCCVEGCSA-N 0 0 210.342 3.752 10 0 BHAERN O[C@@H](CC1CCCCC1)c1ccsc1 ZINC000053783181 357180061 /nfs/dbraw/zinc/18/00/61/357180061.db2.gz QBWPEDDKCKAADX-LBPRGKRZSA-N 0 0 210.342 3.752 10 0 BHAERN O[C@@H](Cc1ccc(F)cc1)CC1CCCCC1 ZINC000053783582 183183492 /nfs/dbraw/zinc/18/34/92/183183492.db2.gz LJCKJLRKRBNCDI-OAHLLOKOSA-N 0 0 236.330 3.700 10 0 BHAERN O[C@H](Cc1ccc(F)cc1)CC1CCCCC1 ZINC000053783583 183227896 /nfs/dbraw/zinc/22/78/96/183227896.db2.gz LJCKJLRKRBNCDI-HNNXBMFYSA-N 0 0 236.330 3.700 10 0 BHAERN CC(C)C[C@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000053783829 187437306 /nfs/dbraw/zinc/43/73/06/187437306.db2.gz OOESKFORCWGVAO-LBPRGKRZSA-N 0 0 246.272 3.655 10 0 BHAERN CCC[C@H](O)Cc1cccc2ccccc21 ZINC000053784599 357177954 /nfs/dbraw/zinc/17/79/54/357177954.db2.gz GKARJMANRHZFPC-AWEZNQCLSA-N 0 0 214.308 3.543 10 0 BHAERN CCC[C@@H](O)Cc1cccc2ccccc21 ZINC000053784600 357178176 /nfs/dbraw/zinc/17/81/76/357178176.db2.gz GKARJMANRHZFPC-CQSZACIVSA-N 0 0 214.308 3.543 10 0 BHAERN CC(C)(C)c1ccc(C[C@H](O)C(C)(C)C)cc1 ZINC000053784839 187437698 /nfs/dbraw/zinc/43/76/98/187437698.db2.gz GWUCLADGZPLLFM-AWEZNQCLSA-N 0 0 234.383 3.934 10 0 BHAERN COc1cccc(C[C@H](O)CC2CCCCC2)c1 ZINC000053785552 175272789 /nfs/dbraw/zinc/27/27/89/175272789.db2.gz MJPLLKPEHRONCE-OAHLLOKOSA-N 0 0 248.366 3.569 10 0 BHAERN COc1cccc(C[C@@H](O)CC2CCCCC2)c1 ZINC000053785553 175271919 /nfs/dbraw/zinc/27/19/19/175271919.db2.gz MJPLLKPEHRONCE-HNNXBMFYSA-N 0 0 248.366 3.569 10 0 BHAERN O[C@@H](CCc1ccccc1)CC1CCCCC1 ZINC000053785712 183173502 /nfs/dbraw/zinc/17/35/02/183173502.db2.gz GPYAKMCUVVHLDV-INIZCTEOSA-N 0 0 232.367 3.951 10 0 BHAERN O[C@H](CCc1ccccc1)CC1CCCCC1 ZINC000053785713 183220172 /nfs/dbraw/zinc/22/01/72/183220172.db2.gz GPYAKMCUVVHLDV-MRXNPFEDSA-N 0 0 232.367 3.951 10 0 BHAERN CCC[C@@H](C)C[C@H](O)Cc1cc(F)cc(F)c1 ZINC000053786010 169361975 /nfs/dbraw/zinc/36/19/75/169361975.db2.gz JCAKURHDFMCHFD-YGRLFVJLSA-N 0 0 242.309 3.695 10 0 BHAERN CCC[C@@H](C)C[C@@H](O)Cc1cc(F)cc(F)c1 ZINC000053786012 169361338 /nfs/dbraw/zinc/36/13/38/169361338.db2.gz JCAKURHDFMCHFD-QMTHXVAHSA-N 0 0 242.309 3.695 10 0 BHAERN O[C@@H](Cc1ccccc1F)CC1CCCCC1 ZINC000053786070 183183003 /nfs/dbraw/zinc/18/30/03/183183003.db2.gz KGRWBEIXHQRBDN-CQSZACIVSA-N 0 0 236.330 3.700 10 0 BHAERN O[C@H](Cc1ccccc1F)CC1CCCCC1 ZINC000053786071 183227920 /nfs/dbraw/zinc/22/79/20/183227920.db2.gz KGRWBEIXHQRBDN-AWEZNQCLSA-N 0 0 236.330 3.700 10 0 BHAERN Cc1ccccc1C[C@H](O)CC1CCCCC1 ZINC000053786505 179292409 /nfs/dbraw/zinc/29/24/09/179292409.db2.gz URMJHYGCZIGRND-MRXNPFEDSA-N 0 0 232.367 3.869 10 0 BHAERN Cc1ccccc1C[C@@H](O)CC1CCCCC1 ZINC000053786506 179290162 /nfs/dbraw/zinc/29/01/62/179290162.db2.gz URMJHYGCZIGRND-INIZCTEOSA-N 0 0 232.367 3.869 10 0 BHAERN C[C@@H]1CCC[C@H]([C@H](O)CCOc2ccccc2)C1 ZINC000053787122 176146063 /nfs/dbraw/zinc/14/60/63/176146063.db2.gz KHLGAMUBLVWUPQ-IJEWVQPXSA-N 0 0 248.366 3.643 10 0 BHAERN C[C@@H]1CCC[C@@H]([C@H](O)CCOc2ccccc2)C1 ZINC000053787124 176125239 /nfs/dbraw/zinc/12/52/39/176125239.db2.gz KHLGAMUBLVWUPQ-IIAWOOMASA-N 0 0 248.366 3.643 10 0 BHAERN CCN(C[C@H]1C[C@H](C)CCC1=O)c1ccccc1 ZINC000053925938 169899205 /nfs/dbraw/zinc/89/92/05/169899205.db2.gz DKGVAMGUUYJHCD-ZIAGYGMSSA-N 0 0 245.366 3.518 10 0 BHAERN CCOc1cc2[nH]ccc(=S)c2cc1OCC ZINC000053994694 387977147 /nfs/dbraw/zinc/97/71/47/387977147.db2.gz KECNCQMKQRSDTK-UHFFFAOYSA-N 0 0 249.335 3.695 10 0 BHAERN Cc1ccc(Cl)c2c(=S)cc[nH]c12 ZINC000053994893 387977142 /nfs/dbraw/zinc/97/71/42/387977142.db2.gz CHQTZZVTBXSWIS-UHFFFAOYSA-N 0 0 209.701 3.859 10 0 BHAERN CCN(CCC(=O)C(C)(C)C)c1ccc(C)cc1 ZINC000054026603 169816880 /nfs/dbraw/zinc/81/68/80/169816880.db2.gz ZVWIGWYUOBIPJJ-UHFFFAOYSA-N 0 0 247.382 3.827 10 0 BHAERN Cc1cc(C)cc(N(C)CC[C@@H](O)C(C)(C)C)c1 ZINC000054047336 177905220 /nfs/dbraw/zinc/90/52/20/177905220.db2.gz RRGZMADPUUVXKU-OAHLLOKOSA-N 0 0 249.398 3.537 10 0 BHAERN O=C(c1cc2ccccc2o1)C1CCCC1 ZINC000054078436 539012704 /nfs/dbraw/zinc/01/27/04/539012704.db2.gz VBSFJZVRNZEVQC-UHFFFAOYSA-N 0 0 214.264 3.806 10 0 BHAERN COc1ccc2cc(C(=O)C3CCCC3)oc2c1 ZINC000054078466 175224049 /nfs/dbraw/zinc/22/40/49/175224049.db2.gz URVFVKLPNTWUPC-UHFFFAOYSA-N 0 0 244.290 3.814 10 0 BHAERN COc1ccc(N[C@@H](C)C2CCCC2)cc1C ZINC000054081205 175153374 /nfs/dbraw/zinc/15/33/74/175153374.db2.gz XMGAWPIACJHHTR-LBPRGKRZSA-N 0 0 233.355 3.994 10 0 BHAERN COc1ccc(N[C@H](C)C2CCCC2)cc1C ZINC000054081207 175154875 /nfs/dbraw/zinc/15/48/75/175154875.db2.gz XMGAWPIACJHHTR-GFCCVEGCSA-N 0 0 233.355 3.994 10 0 BHAERN CCC(=O)c1ccc(-c2ccc(F)cc2C)o1 ZINC000054106818 168254949 /nfs/dbraw/zinc/25/49/49/168254949.db2.gz GZIYTWPSWDNFRG-UHFFFAOYSA-N 0 0 232.254 3.987 10 0 BHAERN CCC(=O)c1ccc(-c2ccccc2)o1 ZINC000054106824 369053808 /nfs/dbraw/zinc/05/38/08/369053808.db2.gz DYDUUIXGYUCBFG-UHFFFAOYSA-N 0 0 200.237 3.539 10 0 BHAERN CCC(=O)c1ccc(-c2ccc(C)cc2F)o1 ZINC000054106833 168255312 /nfs/dbraw/zinc/25/53/12/168255312.db2.gz VIEMKBXYACLQFP-UHFFFAOYSA-N 0 0 232.254 3.987 10 0 BHAERN CCc1ccc(-c2ccc([C@H](O)CC)o2)cc1 ZINC000054107414 171778717 /nfs/dbraw/zinc/77/87/17/171778717.db2.gz PKWROHNGLAQMRO-CYBMUJFWSA-N 0 0 230.307 3.952 10 0 BHAERN c1ccc(CCNc2ccc3ncccc3c2)cc1 ZINC000054107830 183395137 /nfs/dbraw/zinc/39/51/37/183395137.db2.gz FOUSYIATHGPZIN-UHFFFAOYSA-N 0 0 248.329 3.889 10 0 BHAERN CC(C)CCNc1ccc2ncccc2c1 ZINC000054107843 166867067 /nfs/dbraw/zinc/86/70/67/166867067.db2.gz GGZNFXGYVVHSAI-UHFFFAOYSA-N 0 0 214.312 3.693 10 0 BHAERN O=Cc1ccc(-c2ccc3ncccc3c2)s1 ZINC000054108383 635389348 /nfs/dbraw/zinc/38/93/48/635389348.db2.gz VZLSTVVOZSNHAZ-UHFFFAOYSA-N 0 0 239.299 3.776 10 0 BHAERN CC(=O)c1cnc(Cc2cc(C)cc(C)c2)s1 ZINC000054159086 187611884 /nfs/dbraw/zinc/61/18/84/187611884.db2.gz LDNPFVWCSAJLCH-UHFFFAOYSA-N 0 0 245.347 3.553 10 0 BHAERN CC(=O)c1cnc([C@H]2CCC[C@@H](C)C2)s1 ZINC000054159134 351570505 /nfs/dbraw/zinc/57/05/05/351570505.db2.gz KKIBLGDMWHPDNM-SCZZXKLOSA-N 0 0 223.341 3.639 10 0 BHAERN CC(=O)c1cnc([C@H]2CCC[C@H](C)C2)s1 ZINC000054159135 351570616 /nfs/dbraw/zinc/57/06/16/351570616.db2.gz KKIBLGDMWHPDNM-WPRPVWTQSA-N 0 0 223.341 3.639 10 0 BHAERN CC(=O)c1cnc([C@@H]2CCC[C@@H](C)C2)s1 ZINC000054159136 351570448 /nfs/dbraw/zinc/57/04/48/351570448.db2.gz KKIBLGDMWHPDNM-PSASIEDQSA-N 0 0 223.341 3.639 10 0 BHAERN CC(=O)c1cnc([C@@H]2CCC[C@H](C)C2)s1 ZINC000054159137 351570475 /nfs/dbraw/zinc/57/04/75/351570475.db2.gz KKIBLGDMWHPDNM-WCBMZHEXSA-N 0 0 223.341 3.639 10 0 BHAERN CC(=O)c1cnc(-c2cc(C)sc2C)s1 ZINC000054159198 351570561 /nfs/dbraw/zinc/57/05/61/351570561.db2.gz KJOLZOIQDZKQLU-UHFFFAOYSA-N 0 0 237.349 3.691 10 0 BHAERN CCc1ccc(-c2ncc(C(C)=O)s2)s1 ZINC000054159222 351570580 /nfs/dbraw/zinc/57/05/80/351570580.db2.gz ADZKMEAITWVRAK-UHFFFAOYSA-N 0 0 237.349 3.637 10 0 BHAERN CC(=O)c1cnc(-c2ccc(Cl)s2)s1 ZINC000054159235 351570673 /nfs/dbraw/zinc/57/06/73/351570673.db2.gz TZVPQTSEUJDBCK-UHFFFAOYSA-N 0 0 243.740 3.728 10 0 BHAERN O=C1CCC[C@H]1Sc1cccc(Cl)c1 ZINC000054185849 351919240 /nfs/dbraw/zinc/91/92/40/351919240.db2.gz BNPVILHBQPRENB-LLVKDONJSA-N 0 0 226.728 3.554 10 0 BHAERN O=C1CCC[C@@H]1Sc1cccc(Cl)c1 ZINC000054185850 351919218 /nfs/dbraw/zinc/91/92/18/351919218.db2.gz BNPVILHBQPRENB-NSHDSACASA-N 0 0 226.728 3.554 10 0 BHAERN FC(F)(F)c1ccc(NCC2CCC2)cc1 ZINC000054186802 180893895 /nfs/dbraw/zinc/89/38/95/180893895.db2.gz IWJPUXYRVIHBEF-UHFFFAOYSA-N 0 0 229.245 3.917 10 0 BHAERN CCOC[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000054186903 322857012 /nfs/dbraw/zinc/85/70/12/322857012.db2.gz FOVHNKDVVJWWQY-SECBINFHSA-N 0 0 247.260 3.542 10 0 BHAERN CCOC[C@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000054186904 397972767 /nfs/dbraw/zinc/97/27/67/397972767.db2.gz FOVHNKDVVJWWQY-VIFPVBQESA-N 0 0 247.260 3.542 10 0 BHAERN Cc1ccc(C(=O)c2cccc(F)c2F)cc1 ZINC000054188944 188126608 /nfs/dbraw/zinc/12/66/08/188126608.db2.gz HYULOYIMJUKECW-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN Cc1ccc(C(=O)c2cccc(F)c2F)cc1C ZINC000054189059 188301026 /nfs/dbraw/zinc/30/10/26/188301026.db2.gz JLMFGZDTFVCEAL-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccccc1CC(=O)c1cccc(F)c1F ZINC000054207953 179260322 /nfs/dbraw/zinc/26/03/22/179260322.db2.gz BICHEVIRHJJLDY-UHFFFAOYSA-N 0 0 246.256 3.699 10 0 BHAERN Cc1ccccc1C[C@@H]([NH3+])c1cccc(F)c1F ZINC000054208216 179289979 /nfs/dbraw/zinc/28/99/79/179289979.db2.gz DLRIBSVBVWVZIN-CQSZACIVSA-N 0 0 247.288 3.516 10 0 BHAERN CCc1ccc([C@@H](O)c2cccc(F)c2F)cc1 ZINC000054213614 171835537 /nfs/dbraw/zinc/83/55/37/171835537.db2.gz BAURHJKCFMLCMS-OAHLLOKOSA-N 0 0 248.272 3.609 10 0 BHAERN Cc1ccc(Oc2ncc(N)cc2C)c(Cl)c1 ZINC000054348601 178822632 /nfs/dbraw/zinc/82/26/32/178822632.db2.gz GSROOCSUAHFVCZ-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN CC(=O)c1oc2c(cc(C)cc2Cl)c1C ZINC000054349161 369067503 /nfs/dbraw/zinc/06/75/03/369067503.db2.gz USQNHQMFNCWBTI-UHFFFAOYSA-N 0 0 222.671 3.906 10 0 BHAERN CCC(C)(C)C(=O)c1cc(F)ccc1F ZINC000054402059 346712618 /nfs/dbraw/zinc/71/26/18/346712618.db2.gz OVJKXTQWKBITAE-UHFFFAOYSA-N 0 0 212.239 3.584 10 0 BHAERN CCc1ccc(C(=O)C(C)(C)CC)cc1 ZINC000054402068 363075873 /nfs/dbraw/zinc/07/58/73/363075873.db2.gz DKBLSSSIAYYQLF-UHFFFAOYSA-N 0 0 204.313 3.868 10 0 BHAERN CCOc1ccc(C(=O)C(C)(C)CC)cc1 ZINC000054402069 363076000 /nfs/dbraw/zinc/07/60/00/363076000.db2.gz ZLEMISNWIUMJLF-UHFFFAOYSA-N 0 0 220.312 3.704 10 0 BHAERN CCC(C)(C)C(=O)c1cn(C)c2ccccc12 ZINC000054402112 168270001 /nfs/dbraw/zinc/27/00/01/168270001.db2.gz ZYXJMRHYHQANNO-UHFFFAOYSA-N 0 0 229.323 3.797 10 0 BHAERN CCC(C)(C)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000054402151 168270905 /nfs/dbraw/zinc/27/09/05/168270905.db2.gz UOKDHCIVHFEDSY-UHFFFAOYSA-N 0 0 233.286 3.926 10 0 BHAERN CCC(C)(C)C(=O)c1ccc(OC)c(C)c1 ZINC000054402165 363075708 /nfs/dbraw/zinc/07/57/08/363075708.db2.gz INORDRBYHPPLCC-UHFFFAOYSA-N 0 0 220.312 3.623 10 0 BHAERN CCC(C)(C)C(=O)c1ccc(OC)cc1Cl ZINC000054402174 363076087 /nfs/dbraw/zinc/07/60/87/363076087.db2.gz JKVGCZRHPGTYKJ-UHFFFAOYSA-N 0 0 240.730 3.968 10 0 BHAERN CCC(C)(C)C(=O)c1cc(C)ccc1OC ZINC000054402180 363076031 /nfs/dbraw/zinc/07/60/31/363076031.db2.gz QWACGLUWYNQKIO-UHFFFAOYSA-N 0 0 220.312 3.623 10 0 BHAERN CCC(C)(C)C(=O)c1c(F)cc(OC)cc1F ZINC000054402186 168270663 /nfs/dbraw/zinc/27/06/63/168270663.db2.gz LVBACCMPFUIIRO-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CCC(C)(C)c1[nH]nc(N)c1-c1ccccc1C ZINC000054403304 168305113 /nfs/dbraw/zinc/30/51/13/168305113.db2.gz MCGBSRNEMYDBON-UHFFFAOYSA-N 0 0 243.354 3.655 10 0 BHAERN CCC(C)(C)C(=O)Cc1ccc2ccccc2n1 ZINC000054403610 168260155 /nfs/dbraw/zinc/26/01/55/168260155.db2.gz YZNWZCBOLYZVHP-UHFFFAOYSA-N 0 0 241.334 3.783 10 0 BHAERN CCC(C)(C)[C@H](O)c1ccc(Cl)cc1 ZINC000054404028 346712358 /nfs/dbraw/zinc/71/23/58/346712358.db2.gz TXRNQRVYTHKRSN-LLVKDONJSA-N 0 0 212.720 3.810 10 0 BHAERN CCC(C)(C)[C@@H](O)c1ccc(Cl)cc1 ZINC000054404029 346712398 /nfs/dbraw/zinc/71/23/98/346712398.db2.gz TXRNQRVYTHKRSN-NSHDSACASA-N 0 0 212.720 3.810 10 0 BHAERN CCC(C)(C)[C@H](O)c1cc(C)sc1C ZINC000054404094 346712512 /nfs/dbraw/zinc/71/25/12/346712512.db2.gz TXMZLLVWWSDAQH-LLVKDONJSA-N 0 0 212.358 3.835 10 0 BHAERN CCC(C)(C)[C@@H](O)c1cc(C)sc1C ZINC000054404095 346712606 /nfs/dbraw/zinc/71/26/06/346712606.db2.gz TXMZLLVWWSDAQH-NSHDSACASA-N 0 0 212.358 3.835 10 0 BHAERN CCC(C)(C)[C@H](O)c1ccc(Cl)s1 ZINC000054404096 346712438 /nfs/dbraw/zinc/71/24/38/346712438.db2.gz SECXUJNLXXCOCG-SECBINFHSA-N 0 0 218.749 3.871 10 0 BHAERN CCC(C)(C)[C@@H](O)c1ccc(Cl)s1 ZINC000054404097 346712630 /nfs/dbraw/zinc/71/26/30/346712630.db2.gz SECXUJNLXXCOCG-VIFPVBQESA-N 0 0 218.749 3.871 10 0 BHAERN Cc1cccc(C(=O)COc2ccccc2)c1C ZINC000054436396 346929792 /nfs/dbraw/zinc/92/97/92/346929792.db2.gz MZBUNYHXLQKEIJ-UHFFFAOYSA-N 0 0 240.302 3.565 10 0 BHAERN Cc1cc(C)cc(C(=O)COc2ccccc2)c1 ZINC000054436458 346929952 /nfs/dbraw/zinc/92/99/52/346929952.db2.gz NUAVEKUYGMXYHG-UHFFFAOYSA-N 0 0 240.302 3.565 10 0 BHAERN CC(C)c1ccc(C[C@H](O)c2ccco2)cc1 ZINC000054446059 167600954 /nfs/dbraw/zinc/60/09/54/167600954.db2.gz CUIJZCXXSCIUMO-AWEZNQCLSA-N 0 0 230.307 3.679 10 0 BHAERN Clc1nc(-c2csc3ccccc23)no1 ZINC000054462906 369071322 /nfs/dbraw/zinc/07/13/22/369071322.db2.gz HAWNMNLPPFQCRM-UHFFFAOYSA-N 0 0 236.683 3.605 10 0 BHAERN CC[C@H](C)CNc1ccc(N)cc1C(F)(F)F ZINC000054466686 171288133 /nfs/dbraw/zinc/28/81/33/171288133.db2.gz SSEWAUMFWOXJBA-QMMMGPOBSA-N 0 0 246.276 3.746 10 0 BHAERN CC[C@H](C)CNc1nnc(Cl)c2ccccc21 ZINC000054490368 171288670 /nfs/dbraw/zinc/28/86/70/171288670.db2.gz CQCBCDQEKWZKBR-VIFPVBQESA-N 0 0 249.745 3.741 10 0 BHAERN CC[C@H](C)Cn1c(C)cc2c1CC(C)(C)CC2=O ZINC000054491075 171301176 /nfs/dbraw/zinc/30/11/76/171301176.db2.gz XRYBJLALPBBSFH-NSHDSACASA-N 0 0 247.382 3.998 10 0 BHAERN CC(C)C1CCC(O)(c2ccccc2)CC1 ZINC000054557301 386831270 /nfs/dbraw/zinc/83/12/70/386831270.db2.gz NVQAYDCIYVDKGW-UHFFFAOYSA-N 0 0 218.340 3.720 10 0 BHAERN COc1ccc(C2(O)CCC(C(C)C)CC2)cc1 ZINC000054557309 175084738 /nfs/dbraw/zinc/08/47/38/175084738.db2.gz AEFCMGUXFPVAFQ-UHFFFAOYSA-N 0 0 248.366 3.729 10 0 BHAERN CCCCOCC[C@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054631251 168904501 /nfs/dbraw/zinc/90/45/01/168904501.db2.gz QCGWJPKHDSFDQY-ILXRZTDVSA-N 0 0 242.403 3.626 10 0 BHAERN Cc1nc(-c2ccc(OC(C)C)cc2)cs1 ZINC000054643068 639371684 /nfs/dbraw/zinc/37/16/84/639371684.db2.gz VFCRSDCETZBZHH-UHFFFAOYSA-N 0 0 233.336 3.906 10 0 BHAERN O[C@H](C1=CCCC1)[C@H]1CCCc2ccccc21 ZINC000054669534 183218480 /nfs/dbraw/zinc/21/84/80/183218480.db2.gz UKWWTADNXOVPTJ-JKSUJKDBSA-N 0 0 228.335 3.578 10 0 BHAERN O[C@H](C1=CCCC1)[C@@H]1CCCc2ccccc21 ZINC000054669535 183217983 /nfs/dbraw/zinc/21/79/83/183217983.db2.gz UKWWTADNXOVPTJ-HZPDHXFCSA-N 0 0 228.335 3.578 10 0 BHAERN O[C@@H](C1=CCCC1)[C@H]1CCCc2ccccc21 ZINC000054669536 183172230 /nfs/dbraw/zinc/17/22/30/183172230.db2.gz UKWWTADNXOVPTJ-HOTGVXAUSA-N 0 0 228.335 3.578 10 0 BHAERN O[C@@H](C1=CCCC1)[C@@H]1CCCc2ccccc21 ZINC000054669537 183172545 /nfs/dbraw/zinc/17/25/45/183172545.db2.gz UKWWTADNXOVPTJ-CVEARBPZSA-N 0 0 228.335 3.578 10 0 BHAERN Cc1cccc(/C=C(\c2ccccc2)[N+](=O)[O-])c1 ZINC000054684891 179002289 /nfs/dbraw/zinc/00/22/89/179002289.db2.gz PXJPQMHIKMRQPZ-RVDMUPIBSA-N 0 0 239.274 3.770 10 0 BHAERN C[C@@H]1CCC[C@H](Sc2nccnc2Cl)C1 ZINC000054691803 369088275 /nfs/dbraw/zinc/08/82/75/369088275.db2.gz HSUGDYIOWURQET-BDAKNGLRSA-N 0 0 242.775 3.801 10 0 BHAERN C[C@H]1CCC[C@H](Sc2nccnc2Cl)C1 ZINC000054691805 369088592 /nfs/dbraw/zinc/08/85/92/369088592.db2.gz HSUGDYIOWURQET-IUCAKERBSA-N 0 0 242.775 3.801 10 0 BHAERN C[C@@H]1CCC[C@@H](Sc2nccnc2Cl)C1 ZINC000054691807 369087466 /nfs/dbraw/zinc/08/74/66/369087466.db2.gz HSUGDYIOWURQET-RKDXNWHRSA-N 0 0 242.775 3.801 10 0 BHAERN C[C@H]1CCC[C@@H](Sc2nccnc2Cl)C1 ZINC000054691810 369087210 /nfs/dbraw/zinc/08/72/10/369087210.db2.gz HSUGDYIOWURQET-DTWKUNHWSA-N 0 0 242.775 3.801 10 0 BHAERN C[C@@H]1CCC[C@H](S[C@@H]2CCCCC2=O)C1 ZINC000054693204 343660943 /nfs/dbraw/zinc/66/09/43/343660943.db2.gz NQZFTORCIOSAQT-NTZNESFSSA-N 0 0 226.385 3.810 10 0 BHAERN C[C@@H]1CCC[C@@H](S[C@@H]2CCCCC2=O)C1 ZINC000054693207 369088617 /nfs/dbraw/zinc/08/86/17/369088617.db2.gz NQZFTORCIOSAQT-NQBHXWOUSA-N 0 0 226.385 3.810 10 0 BHAERN CCc1ccc([C@@H](C)Nc2ncccc2F)cc1 ZINC000054700666 386137539 /nfs/dbraw/zinc/13/75/39/386137539.db2.gz JWJMUUPQOMVTHY-LLVKDONJSA-N 0 0 244.313 3.956 10 0 BHAERN CCc1ccc([C@H](C)Nc2ncccc2F)cc1 ZINC000054700667 386137760 /nfs/dbraw/zinc/13/77/60/386137760.db2.gz JWJMUUPQOMVTHY-NSHDSACASA-N 0 0 244.313 3.956 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1ncccc1F ZINC000054700809 179323460 /nfs/dbraw/zinc/32/34/60/179323460.db2.gz OPERZFBNRCPNKN-LLVKDONJSA-N 0 0 230.286 3.702 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1ncccc1F ZINC000054700810 179340274 /nfs/dbraw/zinc/34/02/74/179340274.db2.gz OPERZFBNRCPNKN-NSHDSACASA-N 0 0 230.286 3.702 10 0 BHAERN CC[C@H](Nc1ncccc1F)c1cccs1 ZINC000054700815 386138010 /nfs/dbraw/zinc/13/80/10/386138010.db2.gz IDEKEHLSIHEQFN-JTQLQIEISA-N 0 0 236.315 3.845 10 0 BHAERN CC[C@@H](Nc1ncccc1F)c1cccs1 ZINC000054700816 353340653 /nfs/dbraw/zinc/34/06/53/353340653.db2.gz IDEKEHLSIHEQFN-SNVBAGLBSA-N 0 0 236.315 3.845 10 0 BHAERN CC[C@H](Nc1ncccc1F)c1ccccc1 ZINC000054700914 358872905 /nfs/dbraw/zinc/87/29/05/358872905.db2.gz VPSHLCVVOIYIJU-ZDUSSCGKSA-N 0 0 230.286 3.784 10 0 BHAERN CC[C@@H](Nc1ncccc1F)c1ccccc1 ZINC000054700915 358873011 /nfs/dbraw/zinc/87/30/11/358873011.db2.gz VPSHLCVVOIYIJU-CYBMUJFWSA-N 0 0 230.286 3.784 10 0 BHAERN Fc1cccnc1N[C@H]1CCCc2ccccc21 ZINC000054700918 358872919 /nfs/dbraw/zinc/87/29/19/358872919.db2.gz SHFHEXVMLANNCK-AWEZNQCLSA-N 0 0 242.297 3.710 10 0 BHAERN Fc1cccnc1N[C@@H]1CCCc2ccccc21 ZINC000054700919 358872753 /nfs/dbraw/zinc/87/27/53/358872753.db2.gz SHFHEXVMLANNCK-CQSZACIVSA-N 0 0 242.297 3.710 10 0 BHAERN O=C1CCCCc2c(Cl)ccc(Cl)c21 ZINC000054741771 344041371 /nfs/dbraw/zinc/04/13/71/344041371.db2.gz UNGZYWAXDNYHGT-UHFFFAOYSA-N 0 0 229.106 3.903 10 0 BHAERN CC[C@@H](C)c1ccc2c(c1)C(=O)CCC2 ZINC000054741781 344041767 /nfs/dbraw/zinc/04/17/67/344041767.db2.gz BJPYLOLJBHKLGD-SNVBAGLBSA-N 0 0 202.297 3.719 10 0 BHAERN CC[C@H](C)c1ccc2c(c1)C(=O)CCC2 ZINC000054741782 344041823 /nfs/dbraw/zinc/04/18/23/344041823.db2.gz BJPYLOLJBHKLGD-JTQLQIEISA-N 0 0 202.297 3.719 10 0 BHAERN C[NH2+][C@@H]1CCCc2c(Cl)ccc(Cl)c21 ZINC000054742688 344038863 /nfs/dbraw/zinc/03/88/63/344038863.db2.gz UYVVFOOFLSMCPS-SNVBAGLBSA-N 0 0 230.138 3.590 10 0 BHAERN C[NH2+][C@H]1CCCc2c(Cl)ccc(Cl)c21 ZINC000054742689 344039169 /nfs/dbraw/zinc/03/91/69/344039169.db2.gz UYVVFOOFLSMCPS-JTQLQIEISA-N 0 0 230.138 3.590 10 0 BHAERN O[C@H]1CCCCc2c(Cl)ccc(Cl)c21 ZINC000054743032 344041192 /nfs/dbraw/zinc/04/11/92/344041192.db2.gz CRSRKDDZFYGJAH-JTQLQIEISA-N 0 0 231.122 3.753 10 0 BHAERN O[C@@H]1CCCCc2c(Cl)ccc(Cl)c21 ZINC000054743033 344041141 /nfs/dbraw/zinc/04/11/41/344041141.db2.gz CRSRKDDZFYGJAH-SNVBAGLBSA-N 0 0 231.122 3.753 10 0 BHAERN O[C@@H]1CCCCc2c(Cl)cc(Cl)cc21 ZINC000054743060 343661805 /nfs/dbraw/zinc/66/18/05/343661805.db2.gz PVFUAMSFKAFBGH-LLVKDONJSA-N 0 0 231.122 3.753 10 0 BHAERN O[C@H]1CCCCc2c(Cl)cc(Cl)cc21 ZINC000054743061 344041824 /nfs/dbraw/zinc/04/18/24/344041824.db2.gz PVFUAMSFKAFBGH-NSHDSACASA-N 0 0 231.122 3.753 10 0 BHAERN c1nc(CNc2ccccc2-c2ccccc2)c[nH]1 ZINC000054762938 183380704 /nfs/dbraw/zinc/38/07/04/183380704.db2.gz KIOHIMOXADWIJU-UHFFFAOYSA-N 0 0 249.317 3.689 10 0 BHAERN Fc1ccc(NCc2cncs2)c(Cl)c1 ZINC000054770448 180979136 /nfs/dbraw/zinc/97/91/36/180979136.db2.gz YVLZKDLQWBPXID-UHFFFAOYSA-N 0 0 242.706 3.548 10 0 BHAERN Clc1nccc(Oc2ccccc2Cl)n1 ZINC000054917667 345432695 /nfs/dbraw/zinc/43/26/95/345432695.db2.gz QVCHGAXPMISGPK-UHFFFAOYSA-N 0 0 241.077 3.576 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1cncc(Cl)n1 ZINC000054917816 179323200 /nfs/dbraw/zinc/32/32/00/179323200.db2.gz KNPWDMKBKWWIHM-SNVBAGLBSA-N 0 0 247.729 3.612 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1cncc(Cl)n1 ZINC000054917817 179340682 /nfs/dbraw/zinc/34/06/82/179340682.db2.gz KNPWDMKBKWWIHM-JTQLQIEISA-N 0 0 247.729 3.612 10 0 BHAERN Cc1cc(/C=C(\CC(C)C)[N+](=O)[O-])cc(C)c1O ZINC000054929672 177699737 /nfs/dbraw/zinc/69/97/37/177699737.db2.gz AWOXWTFLSMUADN-MDWZMJQESA-N 0 0 249.310 3.673 10 0 BHAERN CCOc1cccc(/C=C(/CC(C)C)[N+](=O)[O-])c1 ZINC000054929765 170572686 /nfs/dbraw/zinc/57/26/86/170572686.db2.gz OOEAMPWKFJVUKD-LCYFTJDESA-N 0 0 249.310 3.749 10 0 BHAERN COc1ccc(/C=C(/CC(C)C)[N+](=O)[O-])cc1C ZINC000054929810 175046099 /nfs/dbraw/zinc/04/60/99/175046099.db2.gz AOPCFQDQJROXHP-LCYFTJDESA-N 0 0 249.310 3.667 10 0 BHAERN Cc1cc(Cl)nnc1-c1cccc(Cl)c1 ZINC000054930869 345563672 /nfs/dbraw/zinc/56/36/72/345563672.db2.gz BDTWVHNDMORJGW-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN CC(C)[C@H]1CC[C@@H](C)c2cc(Cl)nnc21 ZINC000054930917 345563563 /nfs/dbraw/zinc/56/35/63/345563563.db2.gz RANZQDSLSIRBSB-RKDXNWHRSA-N 0 0 224.735 3.767 10 0 BHAERN CC(C)[C@H]1CC[C@H](C)c2cc(Cl)nnc21 ZINC000054930918 345563681 /nfs/dbraw/zinc/56/36/81/345563681.db2.gz RANZQDSLSIRBSB-DTWKUNHWSA-N 0 0 224.735 3.767 10 0 BHAERN CC(C)[C@@H]1CC[C@@H](C)c2cc(Cl)nnc21 ZINC000054930919 345563474 /nfs/dbraw/zinc/56/34/74/345563474.db2.gz RANZQDSLSIRBSB-BDAKNGLRSA-N 0 0 224.735 3.767 10 0 BHAERN CC(C)[C@@H]1CC[C@H](C)c2cc(Cl)nnc21 ZINC000054930920 345563679 /nfs/dbraw/zinc/56/36/79/345563679.db2.gz RANZQDSLSIRBSB-IUCAKERBSA-N 0 0 224.735 3.767 10 0 BHAERN CCNc1cc2c(nn1)[C@H](C(C)C)CC[C@@H]2C ZINC000054931141 170173011 /nfs/dbraw/zinc/17/30/11/170173011.db2.gz MBBMIJRBRXFTLQ-QWRGUYRKSA-N 0 0 233.359 3.545 10 0 BHAERN CCNc1cc2c(nn1)[C@@H](C(C)C)CC[C@@H]2C ZINC000054931142 170172885 /nfs/dbraw/zinc/17/28/85/170172885.db2.gz MBBMIJRBRXFTLQ-WDEREUQCSA-N 0 0 233.359 3.545 10 0 BHAERN CCNc1cc2c(nn1)[C@H](C(C)C)CC[C@H]2C ZINC000054931143 170172926 /nfs/dbraw/zinc/17/29/26/170172926.db2.gz MBBMIJRBRXFTLQ-MNOVXSKESA-N 0 0 233.359 3.545 10 0 BHAERN CCNc1cc2c(nn1)[C@@H](C(C)C)CC[C@H]2C ZINC000054931144 170173002 /nfs/dbraw/zinc/17/30/02/170173002.db2.gz MBBMIJRBRXFTLQ-GHMZBOCLSA-N 0 0 233.359 3.545 10 0 BHAERN CCNc1cc(C(C)C)c(-c2ccccc2)nn1 ZINC000054931163 170171095 /nfs/dbraw/zinc/17/10/95/170171095.db2.gz FTCPBHJJFHASGP-UHFFFAOYSA-N 0 0 241.338 3.699 10 0 BHAERN CCc1ccc([C@@H](C)Nc2ccnc(C)n2)cc1 ZINC000054935985 387829944 /nfs/dbraw/zinc/82/99/44/387829944.db2.gz ALGNMYKRLCSSMC-LLVKDONJSA-N 0 0 241.338 3.521 10 0 BHAERN CCc1ccc([C@H](C)Nc2ccnc(C)n2)cc1 ZINC000054935987 387828734 /nfs/dbraw/zinc/82/87/34/387828734.db2.gz ALGNMYKRLCSSMC-NSHDSACASA-N 0 0 241.338 3.521 10 0 BHAERN Cc1nccc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000054936036 180202731 /nfs/dbraw/zinc/20/27/31/180202731.db2.gz KTVCWXISDSXHDK-VIFPVBQESA-N 0 0 247.729 3.612 10 0 BHAERN Cc1nccc(N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000054936256 358879610 /nfs/dbraw/zinc/87/96/10/358879610.db2.gz BGBRCXPXGRMTAZ-VIFPVBQESA-N 0 0 247.729 3.612 10 0 BHAERN Cc1nccc(N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000054936258 358879424 /nfs/dbraw/zinc/87/94/24/358879424.db2.gz BGBRCXPXGRMTAZ-SECBINFHSA-N 0 0 247.729 3.612 10 0 BHAERN Fc1ccccc1-n1cc(-c2ccccc2)cn1 ZINC000054937776 369116897 /nfs/dbraw/zinc/11/68/97/369116897.db2.gz NIJLDZKLUAJBQE-UHFFFAOYSA-N 0 0 238.265 3.678 10 0 BHAERN Fc1ccc(-n2cc(-c3ccccc3)cn2)cc1 ZINC000054937779 369116443 /nfs/dbraw/zinc/11/64/43/369116443.db2.gz IFLYKQLHJWTSBY-UHFFFAOYSA-N 0 0 238.265 3.678 10 0 BHAERN Cc1ccccc1-n1cc(-c2ccccc2)cn1 ZINC000054937781 179240855 /nfs/dbraw/zinc/24/08/55/179240855.db2.gz YEAUZTNRLVJHLS-UHFFFAOYSA-N 0 0 234.302 3.848 10 0 BHAERN CCCC(=O)CSCc1ccccc1C ZINC000054964312 369088753 /nfs/dbraw/zinc/08/87/53/369088753.db2.gz WSZYDMVKGPDPPS-UHFFFAOYSA-N 0 0 222.353 3.597 10 0 BHAERN CCCC(=O)CSCc1cccc(C)c1 ZINC000054965993 345861376 /nfs/dbraw/zinc/86/13/76/345861376.db2.gz NAKCEOWOPCLUER-UHFFFAOYSA-N 0 0 222.353 3.597 10 0 BHAERN CC(=O)CCCSCc1cccc(C)c1 ZINC000054966006 369089900 /nfs/dbraw/zinc/08/99/00/369089900.db2.gz ACLCBHZJDRDXDO-UHFFFAOYSA-N 0 0 222.353 3.597 10 0 BHAERN Cc1ccc(C)n1-c1cnc2ccccc2c1 ZINC000055142352 384872916 /nfs/dbraw/zinc/87/29/16/384872916.db2.gz XVFSSPWNKFCNBS-UHFFFAOYSA-N 0 0 222.291 3.642 10 0 BHAERN CCCCc1ccccc1Br ZINC000055161194 191000267 /nfs/dbraw/zinc/00/02/67/191000267.db2.gz UEVKWTASYVIROP-UHFFFAOYSA-N 0 0 213.118 3.792 10 0 BHAERN OC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000055189728 183023482 /nfs/dbraw/zinc/02/34/82/183023482.db2.gz YJXZDEIPGGURIP-UHFFFAOYSA-N 0 0 244.256 3.857 10 0 BHAERN CCC1CCC(O)(c2cc(C)ccc2F)CC1 ZINC000055189969 168523291 /nfs/dbraw/zinc/52/32/91/168523291.db2.gz MCGVDZFAKPRBAG-UHFFFAOYSA-N 0 0 236.330 3.922 10 0 BHAERN OC1(c2cccc(Cl)c2Cl)CCCC1 ZINC000055190184 369138097 /nfs/dbraw/zinc/13/80/97/369138097.db2.gz PMKTXWGHWRFKAE-UHFFFAOYSA-N 0 0 231.122 3.755 10 0 BHAERN OC1(c2cc(Cl)ccc2Cl)CCCC1 ZINC000055190188 369137725 /nfs/dbraw/zinc/13/77/25/369137725.db2.gz IDDOQPXNJQATRY-UHFFFAOYSA-N 0 0 231.122 3.755 10 0 BHAERN Cc1ccc([C@@](C)(O)c2cc(C)ccc2F)cc1 ZINC000055190545 178879838 /nfs/dbraw/zinc/87/98/38/178879838.db2.gz GAYHMGNRMULWHH-MRXNPFEDSA-N 0 0 244.309 3.698 10 0 BHAERN Cc1ccccc1[C@](C)(O)c1cc(F)cc(F)c1 ZINC000055190583 179350659 /nfs/dbraw/zinc/35/06/59/179350659.db2.gz RNSAYTWMDUNIOB-OAHLLOKOSA-N 0 0 248.272 3.529 10 0 BHAERN Cc1ccccc1[C@@](C)(O)c1cc(F)cc(F)c1 ZINC000055190585 179332810 /nfs/dbraw/zinc/33/28/10/179332810.db2.gz RNSAYTWMDUNIOB-HNNXBMFYSA-N 0 0 248.272 3.529 10 0 BHAERN Cc1cc([C@@](C)(O)c2ccccc2C)ccc1F ZINC000055190599 178242659 /nfs/dbraw/zinc/24/26/59/178242659.db2.gz CQGTWDZZUJELCC-MRXNPFEDSA-N 0 0 244.309 3.698 10 0 BHAERN Cc1cc([C@](C)(O)c2ccccc2C)ccc1F ZINC000055190601 178270281 /nfs/dbraw/zinc/27/02/81/178270281.db2.gz CQGTWDZZUJELCC-INIZCTEOSA-N 0 0 244.309 3.698 10 0 BHAERN Cc1cc(F)ccc1[C@](C)(O)c1ccc(F)cc1 ZINC000055190651 178092432 /nfs/dbraw/zinc/09/24/32/178092432.db2.gz YPTOMDGOANFZTB-OAHLLOKOSA-N 0 0 248.272 3.529 10 0 BHAERN Cc1cc(F)ccc1[C@@](C)(O)c1ccc(F)cc1 ZINC000055190653 178092293 /nfs/dbraw/zinc/09/22/93/178092293.db2.gz YPTOMDGOANFZTB-HNNXBMFYSA-N 0 0 248.272 3.529 10 0 BHAERN Cc1cc([C@](C)(O)c2ccccc2F)ccc1F ZINC000055190947 178269563 /nfs/dbraw/zinc/26/95/63/178269563.db2.gz JYNOVCMZJVQHSR-HNNXBMFYSA-N 0 0 248.272 3.529 10 0 BHAERN Cc1cc([C@@](C)(O)c2ccccc2F)ccc1F ZINC000055190949 178243119 /nfs/dbraw/zinc/24/31/19/178243119.db2.gz JYNOVCMZJVQHSR-OAHLLOKOSA-N 0 0 248.272 3.529 10 0 BHAERN CC[C@](C)(O)c1cccc(Cl)c1Cl ZINC000055191848 369138383 /nfs/dbraw/zinc/13/83/83/369138383.db2.gz UGTHJUHQHJARSM-JTQLQIEISA-N 0 0 219.111 3.611 10 0 BHAERN CC[C@@](C)(O)c1cccc(Cl)c1Cl ZINC000055191852 369138347 /nfs/dbraw/zinc/13/83/47/369138347.db2.gz UGTHJUHQHJARSM-SNVBAGLBSA-N 0 0 219.111 3.611 10 0 BHAERN CCC(O)(CC)c1ccccc1OC(F)(F)F ZINC000055191922 168425923 /nfs/dbraw/zinc/42/59/23/168425923.db2.gz SYJNCZHGFSFOOV-UHFFFAOYSA-N 0 0 248.244 3.593 10 0 BHAERN CC(C)[C@](C)(O)c1cccc(Cl)c1Cl ZINC000055191996 343666382 /nfs/dbraw/zinc/66/63/82/343666382.db2.gz LMDFJAJOBZOSHA-NSHDSACASA-N 0 0 233.138 3.857 10 0 BHAERN CC(C)[C@@](C)(O)c1cccc(Cl)c1Cl ZINC000055191999 369138082 /nfs/dbraw/zinc/13/80/82/369138082.db2.gz LMDFJAJOBZOSHA-LLVKDONJSA-N 0 0 233.138 3.857 10 0 BHAERN C[C@@](O)(c1cccc(Cl)c1Cl)C1CC1 ZINC000055192099 343666076 /nfs/dbraw/zinc/66/60/76/343666076.db2.gz SSXXBGCBRQWCJS-NSHDSACASA-N 0 0 231.122 3.611 10 0 BHAERN C[C@](O)(c1cccc(Cl)c1Cl)C1CC1 ZINC000055192102 369137991 /nfs/dbraw/zinc/13/79/91/369137991.db2.gz SSXXBGCBRQWCJS-LLVKDONJSA-N 0 0 231.122 3.611 10 0 BHAERN CC[C@@](O)(c1ccccc1)c1cc(F)ccc1C ZINC000055192289 171194985 /nfs/dbraw/zinc/19/49/85/171194985.db2.gz NTNMMURKWWUUIE-MRXNPFEDSA-N 0 0 244.309 3.780 10 0 BHAERN CC[C@@](O)(c1cccc(C(F)(F)F)c1)C(C)C ZINC000055192817 171194776 /nfs/dbraw/zinc/19/47/76/171194776.db2.gz RKNMSTUMPGFARM-LBPRGKRZSA-N 0 0 246.272 3.959 10 0 BHAERN Cc1cc(F)ccc1C(=O)c1ccc(F)cc1 ZINC000055199050 369141423 /nfs/dbraw/zinc/14/14/23/369141423.db2.gz KEBROFGKICOIAK-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN Cc1cc(F)ccc1C(=O)Cc1ccccc1 ZINC000055199133 347435352 /nfs/dbraw/zinc/43/53/52/347435352.db2.gz UXHOUICMCABHPT-UHFFFAOYSA-N 0 0 228.266 3.560 10 0 BHAERN CC(C)CC(=O)c1ccccc1OC(F)(F)F ZINC000055199424 343666211 /nfs/dbraw/zinc/66/62/11/343666211.db2.gz QXXRFPSAGGHVIH-UHFFFAOYSA-N 0 0 246.228 3.814 10 0 BHAERN Cc1ccccc1C(=O)c1ccc(F)cc1C ZINC000055199465 179253621 /nfs/dbraw/zinc/25/36/21/179253621.db2.gz XFCWZEUPNDVHCR-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1cccc(C(=O)c2ccc(F)cc2C)c1 ZINC000055199480 369140981 /nfs/dbraw/zinc/14/09/81/369140981.db2.gz OPGQMOUBSOJELA-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1ccc(C(=O)c2cc(F)ccc2C)cc1F ZINC000055199505 369141280 /nfs/dbraw/zinc/14/12/80/369141280.db2.gz ZKPWPNYQCOGUNO-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccc(C(=O)c2ccc(F)cc2C)cc1F ZINC000055199510 369141030 /nfs/dbraw/zinc/14/10/30/369141030.db2.gz OXVJPLVKMXBQFU-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1ccc(C(=O)c2ccc(F)c(C)c2)cc1F ZINC000055199514 177827442 /nfs/dbraw/zinc/82/74/42/177827442.db2.gz PZSRBKODWLYBGR-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1cc(F)ccc1C(=O)C1CCCCC1 ZINC000055199530 370507929 /nfs/dbraw/zinc/50/79/29/370507929.db2.gz GLOIQYDYWXCZOQ-UHFFFAOYSA-N 0 0 220.287 3.897 10 0 BHAERN CCCC(=O)c1ccccc1OC(F)(F)F ZINC000055199545 370508727 /nfs/dbraw/zinc/50/87/27/370508727.db2.gz PTSDENQTJNWLFX-UHFFFAOYSA-N 0 0 232.201 3.568 10 0 BHAERN COc1ccc(Cl)cc1C(=O)C(C)(C)C ZINC000055199580 347436588 /nfs/dbraw/zinc/43/65/88/347436588.db2.gz YYMCXPJXZKIPSE-UHFFFAOYSA-N 0 0 226.703 3.577 10 0 BHAERN CC(C)(C)C(=O)c1ccccc1OC(F)(F)F ZINC000055199585 385452536 /nfs/dbraw/zinc/45/25/36/385452536.db2.gz AXOADYCRPSSCPX-UHFFFAOYSA-N 0 0 246.228 3.814 10 0 BHAERN Cc1cc(F)ccc1C(=O)C1CCCC1 ZINC000055199785 369141922 /nfs/dbraw/zinc/14/19/22/369141922.db2.gz YBHYSQOMCVYJMG-UHFFFAOYSA-N 0 0 206.260 3.507 10 0 BHAERN Cc1ccc(F)c(C(=O)C2CCCC2)c1 ZINC000055199789 369141986 /nfs/dbraw/zinc/14/19/86/369141986.db2.gz XWLSRJKQKCVUGN-UHFFFAOYSA-N 0 0 206.260 3.507 10 0 BHAERN Cc1cc(F)ccc1C(=O)CCc1ccccc1 ZINC000055199852 187438471 /nfs/dbraw/zinc/43/84/71/187438471.db2.gz PWAGRFJKRSXTHC-UHFFFAOYSA-N 0 0 242.293 3.950 10 0 BHAERN O=C(CC(F)(F)F)c1cccc2ccccc21 ZINC000055199885 369141357 /nfs/dbraw/zinc/14/13/57/369141357.db2.gz LWGKKFGXIYZRKU-UHFFFAOYSA-N 0 0 238.208 3.975 10 0 BHAERN O=C(CC(F)(F)F)c1ccc2ccccc2c1 ZINC000055199896 388596717 /nfs/dbraw/zinc/59/67/17/388596717.db2.gz VTGBAHFUPFUZTL-UHFFFAOYSA-N 0 0 238.208 3.975 10 0 BHAERN Cc1ccccc1CC(=O)c1ccc(F)cc1C ZINC000055200080 179260333 /nfs/dbraw/zinc/26/03/33/179260333.db2.gz WERVNGCSOHWYJS-UHFFFAOYSA-N 0 0 242.293 3.868 10 0 BHAERN Cc1cccnc1C(=O)c1ccc2ccccc2c1 ZINC000055200151 179366182 /nfs/dbraw/zinc/36/61/82/179366182.db2.gz XVHBZBIOLONDMT-UHFFFAOYSA-N 0 0 247.297 3.774 10 0 BHAERN C[C@@H]1CCC[C@H](C(=O)c2cc(F)cc(F)c2)C1 ZINC000055200227 176136051 /nfs/dbraw/zinc/13/60/51/176136051.db2.gz SILBNMAKTWUAOP-ZJUUUORDSA-N 0 0 238.277 3.974 10 0 BHAERN C[C@H]1CCC[C@H](C(=O)c2cc(F)cc(F)c2)C1 ZINC000055200231 177129338 /nfs/dbraw/zinc/12/93/38/177129338.db2.gz SILBNMAKTWUAOP-UWVGGRQHSA-N 0 0 238.277 3.974 10 0 BHAERN C[C@@H]1CCC[C@@H](C(=O)c2cc(F)cc(F)c2)C1 ZINC000055200234 176113355 /nfs/dbraw/zinc/11/33/55/176113355.db2.gz SILBNMAKTWUAOP-NXEZZACHSA-N 0 0 238.277 3.974 10 0 BHAERN C[C@H]1CCC[C@@H](C(=O)c2cc(F)cc(F)c2)C1 ZINC000055200238 177113548 /nfs/dbraw/zinc/11/35/48/177113548.db2.gz SILBNMAKTWUAOP-VHSXEESVSA-N 0 0 238.277 3.974 10 0 BHAERN CC1CCC(C(=O)c2cc(F)cc(F)c2)CC1 ZINC000055200359 168148864 /nfs/dbraw/zinc/14/88/64/168148864.db2.gz UYDCZCPJDBQGCF-UHFFFAOYSA-N 0 0 238.277 3.974 10 0 BHAERN Cc1ccc(F)cc1C(=O)c1ccc(F)cc1C ZINC000055200430 178084230 /nfs/dbraw/zinc/08/42/30/178084230.db2.gz XXVMYUUHOXTWTC-UHFFFAOYSA-N 0 0 246.256 3.813 10 0 BHAERN Cc1cc(F)ccc1C(=O)Cc1cccs1 ZINC000055200492 370511915 /nfs/dbraw/zinc/51/19/15/370511915.db2.gz ZSJRKHZFZKRGMO-UHFFFAOYSA-N 0 0 234.295 3.621 10 0 BHAERN O=C(Cc1cccnc1)c1cccc2ccccc21 ZINC000055200540 182048526 /nfs/dbraw/zinc/04/85/26/182048526.db2.gz SMEVQNRXBPDLFM-UHFFFAOYSA-N 0 0 247.297 3.660 10 0 BHAERN CSCC(=O)c1cccc(Cl)c1Cl ZINC000055200688 347436510 /nfs/dbraw/zinc/43/65/10/347436510.db2.gz LXQVTQUDXSMPES-UHFFFAOYSA-N 0 0 235.135 3.539 10 0 BHAERN Cc1ccc(F)c([C@@H](O)Cc2ccc(F)cc2)c1 ZINC000055201649 178677677 /nfs/dbraw/zinc/67/76/77/178677677.db2.gz HJEWOFCAQPNYCE-HNNXBMFYSA-N 0 0 248.272 3.549 10 0 BHAERN O[C@H](Cc1ccccn1)c1ccc2ccccc2c1 ZINC000055201930 183227895 /nfs/dbraw/zinc/22/78/95/183227895.db2.gz YEWZECWSVSGKMN-QGZVFWFLSA-N 0 0 249.313 3.511 10 0 BHAERN O[C@@H](Cc1ccccn1)c1ccc2ccccc2c1 ZINC000055201933 183183446 /nfs/dbraw/zinc/18/34/46/183183446.db2.gz YEWZECWSVSGKMN-KRWDZBQOSA-N 0 0 249.313 3.511 10 0 BHAERN Cc1ccccc1[C@H](O)c1ccc(F)cc1C ZINC000055201966 179345158 /nfs/dbraw/zinc/34/51/58/179345158.db2.gz WVQMEQJCJURENX-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccccc1[C@@H](O)c1ccc(F)cc1C ZINC000055201969 179326412 /nfs/dbraw/zinc/32/64/12/179326412.db2.gz WVQMEQJCJURENX-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1ccc([C@H](O)c2ccc(F)c(C)c2)cc1F ZINC000055202097 178240009 /nfs/dbraw/zinc/24/00/09/178240009.db2.gz IRXDJYYSMKFQOD-OAHLLOKOSA-N 0 0 248.272 3.663 10 0 BHAERN Cc1ccc([C@@H](O)c2ccc(F)c(C)c2)cc1F ZINC000055202100 178264547 /nfs/dbraw/zinc/26/45/47/178264547.db2.gz IRXDJYYSMKFQOD-HNNXBMFYSA-N 0 0 248.272 3.663 10 0 BHAERN CCC[C@H](O)c1cccc(Cl)c1Cl ZINC000055202182 347442363 /nfs/dbraw/zinc/44/23/63/347442363.db2.gz VDGOTGKFUZVYKF-VIFPVBQESA-N 0 0 219.111 3.827 10 0 BHAERN CCC[C@@H](O)c1cccc(Cl)c1Cl ZINC000055202186 347442301 /nfs/dbraw/zinc/44/23/01/347442301.db2.gz VDGOTGKFUZVYKF-SECBINFHSA-N 0 0 219.111 3.827 10 0 BHAERN Cc1cc(F)ccc1[C@H](O)CCc1ccccc1 ZINC000055202827 178092265 /nfs/dbraw/zinc/09/22/65/178092265.db2.gz QKAVLGHSESVCSP-MRXNPFEDSA-N 0 0 244.309 3.800 10 0 BHAERN Cc1cc(F)ccc1[C@@H](O)CCc1ccccc1 ZINC000055202829 178091609 /nfs/dbraw/zinc/09/16/09/178091609.db2.gz QKAVLGHSESVCSP-INIZCTEOSA-N 0 0 244.309 3.800 10 0 BHAERN O[C@H](CC(F)(F)F)c1ccc2ccccc2c1 ZINC000055202914 183217593 /nfs/dbraw/zinc/21/75/93/183217593.db2.gz JMSJTAVEBLJIIH-GFCCVEGCSA-N 0 0 240.224 3.826 10 0 BHAERN O[C@@H](CC(F)(F)F)c1ccc2ccccc2c1 ZINC000055202917 183172463 /nfs/dbraw/zinc/17/24/63/183172463.db2.gz JMSJTAVEBLJIIH-LBPRGKRZSA-N 0 0 240.224 3.826 10 0 BHAERN Cc1ccc(F)c([C@@H](O)Cc2ccccc2C)c1 ZINC000055203353 178678043 /nfs/dbraw/zinc/67/80/43/178678043.db2.gz DJSYCZPDEZFOER-INIZCTEOSA-N 0 0 244.309 3.719 10 0 BHAERN Cc1ccc(C[C@@H](O)c2ccc(F)cc2C)cc1 ZINC000055203991 178649135 /nfs/dbraw/zinc/64/91/35/178649135.db2.gz MGZWOUVVTDSGFN-MRXNPFEDSA-N 0 0 244.309 3.719 10 0 BHAERN Cc1ccc(F)cc1[C@H](O)c1ccc(F)cc1C ZINC000055204033 178092381 /nfs/dbraw/zinc/09/23/81/178092381.db2.gz LJTMJYPBNOFSNF-OAHLLOKOSA-N 0 0 248.272 3.663 10 0 BHAERN Cc1ccc(F)cc1[C@@H](O)c1ccc(F)cc1C ZINC000055204036 178091702 /nfs/dbraw/zinc/09/17/02/178091702.db2.gz LJTMJYPBNOFSNF-HNNXBMFYSA-N 0 0 248.272 3.663 10 0 BHAERN O[C@H](Cc1cccnc1)c1cccc2ccccc21 ZINC000055204288 183227658 /nfs/dbraw/zinc/22/76/58/183227658.db2.gz KALASSJRXMRKCX-QGZVFWFLSA-N 0 0 249.313 3.511 10 0 BHAERN O[C@@H](Cc1cccnc1)c1cccc2ccccc21 ZINC000055204290 183183366 /nfs/dbraw/zinc/18/33/66/183183366.db2.gz KALASSJRXMRKCX-KRWDZBQOSA-N 0 0 249.313 3.511 10 0 BHAERN O[C@H]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000055230066 183234497 /nfs/dbraw/zinc/23/44/97/183234497.db2.gz YSHLJHUTYASXBB-RYUDHWBXSA-N 0 0 244.256 3.724 10 0 BHAERN O[C@H]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000055230069 183233085 /nfs/dbraw/zinc/23/30/85/183233085.db2.gz YSHLJHUTYASXBB-NEPJUHHUSA-N 0 0 244.256 3.724 10 0 BHAERN O[C@@H]1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000055230072 183192060 /nfs/dbraw/zinc/19/20/60/183192060.db2.gz YSHLJHUTYASXBB-NWDGAFQWSA-N 0 0 244.256 3.724 10 0 BHAERN O[C@@H]1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000055230073 183190040 /nfs/dbraw/zinc/19/00/40/183190040.db2.gz YSHLJHUTYASXBB-VXGBXAGGSA-N 0 0 244.256 3.724 10 0 BHAERN COc1ccc(Cl)cc1[C@@H]1CCCCC1=O ZINC000055230482 350000917 /nfs/dbraw/zinc/00/09/17/350000917.db2.gz SLAXDLQWVLEHRH-JTQLQIEISA-N 0 0 238.714 3.575 10 0 BHAERN COc1ccc(Cl)cc1[C@H]1CCCCC1=O ZINC000055230484 349086488 /nfs/dbraw/zinc/08/64/88/349086488.db2.gz SLAXDLQWVLEHRH-SNVBAGLBSA-N 0 0 238.714 3.575 10 0 BHAERN O=C1CCCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000055230491 349086480 /nfs/dbraw/zinc/08/64/80/349086480.db2.gz NXUBOIDOKWKRBJ-NSHDSACASA-N 0 0 242.240 3.932 10 0 BHAERN O=C1CCCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000055230492 349086409 /nfs/dbraw/zinc/08/64/09/349086409.db2.gz NXUBOIDOKWKRBJ-LLVKDONJSA-N 0 0 242.240 3.932 10 0 BHAERN O=C1CCC[C@H]1c1cccc(Cl)c1Cl ZINC000055230569 369151156 /nfs/dbraw/zinc/15/11/56/369151156.db2.gz WNOGSBSTGJIPHA-ZETCQYMHSA-N 0 0 229.106 3.830 10 0 BHAERN O=C1CCC[C@@H]1c1cccc(Cl)c1Cl ZINC000055230571 369151376 /nfs/dbraw/zinc/15/13/76/369151376.db2.gz WNOGSBSTGJIPHA-SSDOTTSWSA-N 0 0 229.106 3.830 10 0 BHAERN O=C1CCC[C@H]1c1cc(Cl)ccc1Cl ZINC000055230577 369150555 /nfs/dbraw/zinc/15/05/55/369150555.db2.gz HTHSJUOSAQOEJT-QMMMGPOBSA-N 0 0 229.106 3.830 10 0 BHAERN O=C1CCC[C@@H]1c1cc(Cl)ccc1Cl ZINC000055230580 369151298 /nfs/dbraw/zinc/15/12/98/369151298.db2.gz HTHSJUOSAQOEJT-MRVPVSSYSA-N 0 0 229.106 3.830 10 0 BHAERN O=C1CCCCC[C@H]1c1cc(F)cc(F)c1 ZINC000055230658 635207747 /nfs/dbraw/zinc/20/77/47/635207747.db2.gz YEMGSNQUTAFYRT-LBPRGKRZSA-N 0 0 224.250 3.582 10 0 BHAERN O=C1CCCCC[C@@H]1c1cc(F)cc(F)c1 ZINC000055230661 640450584 /nfs/dbraw/zinc/45/05/84/640450584.db2.gz YEMGSNQUTAFYRT-GFCCVEGCSA-N 0 0 224.250 3.582 10 0 BHAERN Cc1cc([C@@H]2CCCCCC2=O)ccc1F ZINC000055230679 640449630 /nfs/dbraw/zinc/44/96/30/640449630.db2.gz JABUEAJEKBLFNJ-LBPRGKRZSA-N 0 0 220.287 3.751 10 0 BHAERN Cc1cc([C@H]2CCCCCC2=O)ccc1F ZINC000055230681 640451055 /nfs/dbraw/zinc/45/10/55/640451055.db2.gz JABUEAJEKBLFNJ-GFCCVEGCSA-N 0 0 220.287 3.751 10 0 BHAERN CCOC(=O)[C@@H](c1ccc(C)cc1C)C(C)C ZINC000055235176 170256407 /nfs/dbraw/zinc/25/64/07/170256407.db2.gz HAIQTPSWAHQTLQ-CQSZACIVSA-N 0 0 234.339 3.606 10 0 BHAERN CCOC(=O)[C@H](c1ccc(C)cc1C)C(C)C ZINC000055235179 170278950 /nfs/dbraw/zinc/27/89/50/170278950.db2.gz HAIQTPSWAHQTLQ-AWEZNQCLSA-N 0 0 234.339 3.606 10 0 BHAERN Cc1ccc([C@](C)(O)c2ccccc2)c(C)c1 ZINC000055235266 369153302 /nfs/dbraw/zinc/15/33/02/369153302.db2.gz LPRFKWHIXYEBED-MRXNPFEDSA-N 0 0 226.319 3.559 10 0 BHAERN Cc1ccc([C@@](C)(O)c2ccccc2)c(C)c1 ZINC000055235269 369153006 /nfs/dbraw/zinc/15/30/06/369153006.db2.gz LPRFKWHIXYEBED-INIZCTEOSA-N 0 0 226.319 3.559 10 0 BHAERN Cc1ccc([C@](C)(O)c2ccccc2C)c(C)c1 ZINC000055235279 178926344 /nfs/dbraw/zinc/92/63/44/178926344.db2.gz LRGIYRBYEWMPCS-QGZVFWFLSA-N 0 0 240.346 3.868 10 0 BHAERN Cc1ccc([C@](C)(O)c2ccccc2F)c(C)c1 ZINC000055235303 178926314 /nfs/dbraw/zinc/92/63/14/178926314.db2.gz AQDZQGSDFNFFOC-INIZCTEOSA-N 0 0 244.309 3.698 10 0 BHAERN Cc1ccc([C@@H]2CCCCC2=O)c(C)c1 ZINC000055236252 369157001 /nfs/dbraw/zinc/15/70/01/369157001.db2.gz UUBYNJUSCIBPBF-ZDUSSCGKSA-N 0 0 202.297 3.530 10 0 BHAERN Cc1ccc([C@H]2CCCCC2=O)c(C)c1 ZINC000055236255 369157012 /nfs/dbraw/zinc/15/70/12/369157012.db2.gz UUBYNJUSCIBPBF-CYBMUJFWSA-N 0 0 202.297 3.530 10 0 BHAERN C[C@@H]1CCC[C@H](C(=O)c2ccc(F)c(F)c2)C1 ZINC000055237177 176136673 /nfs/dbraw/zinc/13/66/73/176136673.db2.gz UOQWCRNFNWTGBR-ZJUUUORDSA-N 0 0 238.277 3.974 10 0 BHAERN C[C@H]1CCC[C@H](C(=O)c2ccc(F)c(F)c2)C1 ZINC000055237180 177129615 /nfs/dbraw/zinc/12/96/15/177129615.db2.gz UOQWCRNFNWTGBR-UWVGGRQHSA-N 0 0 238.277 3.974 10 0 BHAERN C[C@@H]1CCC[C@@H](C(=O)c2ccc(F)c(F)c2)C1 ZINC000055237184 176113471 /nfs/dbraw/zinc/11/34/71/176113471.db2.gz UOQWCRNFNWTGBR-NXEZZACHSA-N 0 0 238.277 3.974 10 0 BHAERN C[C@H]1CCC[C@@H](C(=O)c2ccc(F)c(F)c2)C1 ZINC000055237187 177114215 /nfs/dbraw/zinc/11/42/15/177114215.db2.gz UOQWCRNFNWTGBR-VHSXEESVSA-N 0 0 238.277 3.974 10 0 BHAERN O=C1CCCCC[C@H]1c1ccc(F)c(F)c1 ZINC000055237685 635211303 /nfs/dbraw/zinc/21/13/03/635211303.db2.gz JLHLOMCFXVNHKO-JTQLQIEISA-N 0 0 224.250 3.582 10 0 BHAERN O=C1CCCCC[C@@H]1c1ccc(F)c(F)c1 ZINC000055237687 640449661 /nfs/dbraw/zinc/44/96/61/640449661.db2.gz JLHLOMCFXVNHKO-SNVBAGLBSA-N 0 0 224.250 3.582 10 0 BHAERN CCOc1ccccc1-c1ccc(C=O)cc1 ZINC000055239525 640450493 /nfs/dbraw/zinc/45/04/93/640450493.db2.gz ISCJWKIIBXSJII-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN CCOc1ccccc1-c1cccc(C=O)c1 ZINC000055239534 640450143 /nfs/dbraw/zinc/45/01/43/640450143.db2.gz MIGOZQIZOPPIOE-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN CCOc1ccccc1-c1ccccc1C=O ZINC000055239538 640451201 /nfs/dbraw/zinc/45/12/01/640451201.db2.gz SKGRIVUFWNSUQK-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN CCOc1ccccc1C(=O)c1ccccc1C ZINC000055240107 369156941 /nfs/dbraw/zinc/15/69/41/369156941.db2.gz OJABGCPUEMKJCM-UHFFFAOYSA-N 0 0 240.302 3.625 10 0 BHAERN CCOc1ccccc1C(=O)c1cccc(C)c1 ZINC000055240109 170590313 /nfs/dbraw/zinc/59/03/13/170590313.db2.gz XVEJEEPQEBRJFU-UHFFFAOYSA-N 0 0 240.302 3.625 10 0 BHAERN CC(C)c1ccc(C(=O)Cc2ccncc2)cc1 ZINC000055241389 188300720 /nfs/dbraw/zinc/30/07/20/188300720.db2.gz GAHGRBAEHPVBOS-UHFFFAOYSA-N 0 0 239.318 3.630 10 0 BHAERN CC(C)c1ccc([C@@H]2CCCC2=O)cc1 ZINC000055241577 369158116 /nfs/dbraw/zinc/15/81/16/369158116.db2.gz HAJRICFDTUFOAC-ZDUSSCGKSA-N 0 0 202.297 3.647 10 0 BHAERN CC(C)c1ccc([C@H]2CCCC2=O)cc1 ZINC000055241578 369157917 /nfs/dbraw/zinc/15/79/17/369157917.db2.gz HAJRICFDTUFOAC-CYBMUJFWSA-N 0 0 202.297 3.647 10 0 BHAERN CCCc1ccc([C@@H]2CCCCC2=O)cc1 ZINC000055242203 640450878 /nfs/dbraw/zinc/45/08/78/640450878.db2.gz PCYVMKDGJHKQGZ-AWEZNQCLSA-N 0 0 216.324 3.866 10 0 BHAERN CCCc1ccc([C@H]2CCCCC2=O)cc1 ZINC000055242206 640449141 /nfs/dbraw/zinc/44/91/41/640449141.db2.gz PCYVMKDGJHKQGZ-CQSZACIVSA-N 0 0 216.324 3.866 10 0 BHAERN Cc1ccc([C@](C)(O)c2cc(F)ccc2F)cc1 ZINC000055242446 178926185 /nfs/dbraw/zinc/92/61/85/178926185.db2.gz GYRQVLVPJDKDAS-HNNXBMFYSA-N 0 0 248.272 3.529 10 0 BHAERN CC[C@@](O)(c1ccccc1)c1cc(F)ccc1F ZINC000055242535 171194077 /nfs/dbraw/zinc/19/40/77/171194077.db2.gz IPBFDBBCDGVBQH-OAHLLOKOSA-N 0 0 248.272 3.611 10 0 BHAERN CC[C@](O)(c1ccccc1)c1cc(F)ccc1F ZINC000055242541 171710585 /nfs/dbraw/zinc/71/05/85/171710585.db2.gz IPBFDBBCDGVBQH-HNNXBMFYSA-N 0 0 248.272 3.611 10 0 BHAERN CC1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000055242911 168149943 /nfs/dbraw/zinc/14/99/43/168149943.db2.gz QIMZWUCMVWKURT-UHFFFAOYSA-N 0 0 238.277 3.974 10 0 BHAERN COc1ccc(C)cc1-c1ccc(C)c(N)c1 ZINC000055243884 175072419 /nfs/dbraw/zinc/07/24/19/175072419.db2.gz FRZKTTPAJJHQHM-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1ccc(C)cc1-c1cc(C)ccc1N ZINC000055243904 175071574 /nfs/dbraw/zinc/07/15/74/175071574.db2.gz JGYGFOCPZLXFIY-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN CCCOc1ccc(-c2ccc(N)cc2)cc1 ZINC000055243957 169316293 /nfs/dbraw/zinc/31/62/93/169316293.db2.gz SVNXYNXSLBQKIF-UHFFFAOYSA-N 0 0 227.307 3.725 10 0 BHAERN COc1ccc(C)cc1-c1ccc(C=O)c(F)c1 ZINC000055244004 175072407 /nfs/dbraw/zinc/07/24/07/175072407.db2.gz LPLFSWPVJYVNFW-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN CCCOc1ccc(C2(O)CCCCC2)cc1 ZINC000055261002 169317749 /nfs/dbraw/zinc/31/77/49/169317749.db2.gz YHENVOXWEYMTAI-UHFFFAOYSA-N 0 0 234.339 3.627 10 0 BHAERN CCCOc1ccc(C2(O)CCC(C)CC2)cc1 ZINC000055261051 169317478 /nfs/dbraw/zinc/31/74/78/169317478.db2.gz CULOGGDDWZXKGU-UHFFFAOYSA-N 0 0 248.366 3.873 10 0 BHAERN CCCOc1ccc([C@](C)(O)[C@@H](C)CC)cc1 ZINC000055261650 169322383 /nfs/dbraw/zinc/32/23/83/169322383.db2.gz MWUADNQIADTNNE-SWLSCSKDSA-N 0 0 236.355 3.729 10 0 BHAERN CCCOc1ccc([C@@](C)(O)[C@@H](C)CC)cc1 ZINC000055261652 169321376 /nfs/dbraw/zinc/32/13/76/169321376.db2.gz MWUADNQIADTNNE-WFASDCNBSA-N 0 0 236.355 3.729 10 0 BHAERN CCCOc1ccc([C@](C)(O)[C@H](C)CC)cc1 ZINC000055261655 169322334 /nfs/dbraw/zinc/32/23/34/169322334.db2.gz MWUADNQIADTNNE-IUODEOHRSA-N 0 0 236.355 3.729 10 0 BHAERN CCCOc1ccc([C@@](C)(O)[C@H](C)CC)cc1 ZINC000055261657 169321492 /nfs/dbraw/zinc/32/14/92/169321492.db2.gz MWUADNQIADTNNE-DOMZBBRYSA-N 0 0 236.355 3.729 10 0 BHAERN COc1ccc(C)cc1[C@H](O)C1CCC(C)CC1 ZINC000055263174 175082323 /nfs/dbraw/zinc/08/23/23/175082323.db2.gz HMIWBFGPKUFMGV-IJGSQOGDSA-N 0 0 248.366 3.863 10 0 BHAERN COc1ccc(C)cc1[C@@H](O)C1CCC(C)CC1 ZINC000055263176 175080601 /nfs/dbraw/zinc/08/06/01/175080601.db2.gz HMIWBFGPKUFMGV-TZDAIYRESA-N 0 0 248.366 3.863 10 0 BHAERN COc1ccc(C)cc1[C@@H]1CCCCCC1=O ZINC000055264986 175080487 /nfs/dbraw/zinc/08/04/87/175080487.db2.gz PVFUCUBAYDPOOP-LBPRGKRZSA-N 0 0 232.323 3.620 10 0 BHAERN COc1ccc(C)cc1[C@H]1CCCCCC1=O ZINC000055264988 175082262 /nfs/dbraw/zinc/08/22/62/175082262.db2.gz PVFUCUBAYDPOOP-GFCCVEGCSA-N 0 0 232.323 3.620 10 0 BHAERN CC[C@@H](C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000055275578 411397092 /nfs/dbraw/zinc/39/70/92/411397092.db2.gz BISHWHIBBLTMRM-ZJUUUORDSA-N 0 0 239.746 3.563 10 0 BHAERN CC[C@H](C)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000055275579 411397006 /nfs/dbraw/zinc/39/70/06/411397006.db2.gz BISHWHIBBLTMRM-UWVGGRQHSA-N 0 0 239.746 3.563 10 0 BHAERN CCC(C)(C)c1[nH]nc(N)c1-c1cccc(C)c1 ZINC000055332067 168305953 /nfs/dbraw/zinc/30/59/53/168305953.db2.gz HVERAVOLVXZVAD-UHFFFAOYSA-N 0 0 243.354 3.655 10 0 BHAERN Cc1ccc(-c2c(N)n[nH]c2CC(C)(C)C)cc1 ZINC000055332647 178318244 /nfs/dbraw/zinc/31/82/44/178318244.db2.gz BCXRYJKVQSTFSY-UHFFFAOYSA-N 0 0 243.354 3.556 10 0 BHAERN CCC[C@@H](C)c1[nH]nc(N)c1-c1ccc(C)cc1 ZINC000055332660 169374069 /nfs/dbraw/zinc/37/40/69/169374069.db2.gz PHIZVJIQGUBHPA-LLVKDONJSA-N 0 0 243.354 3.871 10 0 BHAERN CCC(C)(C)c1noc(N)c1-c1ccc(C)cc1 ZINC000055332907 168307647 /nfs/dbraw/zinc/30/76/47/168307647.db2.gz CSVIHNQRDKOMCF-UHFFFAOYSA-N 0 0 244.338 3.920 10 0 BHAERN Cc1ccc(-c2c(N)onc2CCC(C)C)cc1 ZINC000055332945 178317917 /nfs/dbraw/zinc/31/79/17/178317917.db2.gz NOFUMLRYDYGVPI-UHFFFAOYSA-N 0 0 244.338 3.821 10 0 BHAERN Cc1ccc2c(c1)CCCN2c1ccccc1N ZINC000055343114 132365547 /nfs/dbraw/zinc/36/55/47/132365547.db2.gz WGJXWICROOTVOA-UHFFFAOYSA-N 0 0 238.334 3.662 10 0 BHAERN CC(=O)c1ccc(N(C)[C@@H]2CCCC[C@H]2C)cc1 ZINC000055387524 166462427 /nfs/dbraw/zinc/46/24/27/166462427.db2.gz IXQGJHOPCYCVOV-MLGOLLRUSA-N 0 0 245.366 3.904 10 0 BHAERN CC(C)[C@@H](C)NC(=O)CCC1CCCCC1 ZINC000057160002 368484226 /nfs/dbraw/zinc/48/42/26/368484226.db2.gz PJUGGZQVZNIMAB-GFCCVEGCSA-N 0 0 225.376 3.508 10 0 BHAERN CC(C)[C@H](C)NC(=O)CCC1CCCCC1 ZINC000057160003 368483746 /nfs/dbraw/zinc/48/37/46/368483746.db2.gz PJUGGZQVZNIMAB-LBPRGKRZSA-N 0 0 225.376 3.508 10 0 BHAERN Cc1cc2c(cc1C)N[C@H](c1ccccc1)CN2 ZINC000057218838 178286652 /nfs/dbraw/zinc/28/66/52/178286652.db2.gz UWFCJOGHRJPWRT-INIZCTEOSA-N 0 0 238.334 3.882 10 0 BHAERN Cc1cc2c(cc1C)N[C@@H](c1ccccc1)CN2 ZINC000057218839 178284875 /nfs/dbraw/zinc/28/48/75/178284875.db2.gz UWFCJOGHRJPWRT-MRXNPFEDSA-N 0 0 238.334 3.882 10 0 BHAERN O=C1c2ccc(Cl)cc2NC1c1ccccn1 ZINC000057218979 183253397 /nfs/dbraw/zinc/25/33/97/183253397.db2.gz NTVQJUMSGPERDJ-UHFFFAOYSA-N 0 0 244.681 3.589 10 0 BHAERN O=C1c2ccc(Cl)cc2NC1c1ccncc1 ZINC000057218981 183252728 /nfs/dbraw/zinc/25/27/28/183252728.db2.gz NALMQIYBTDOVLU-UHFFFAOYSA-N 0 0 244.681 3.589 10 0 BHAERN CNc1nc(-c2ccccc2Cl)cs1 ZINC000057322006 386547548 /nfs/dbraw/zinc/54/75/48/386547548.db2.gz NFEFAWVPKLNBLF-UHFFFAOYSA-N 0 0 224.716 3.505 10 0 BHAERN CC(C)c1cc(Cl)nc(Nc2ccccc2)n1 ZINC000057331088 167570905 /nfs/dbraw/zinc/57/09/05/167570905.db2.gz LLQUFIJXQURWHQ-UHFFFAOYSA-N 0 0 247.729 3.997 10 0 BHAERN CCc1nc(Nc2ccccc2)nc(Cl)c1C ZINC000057331101 172000068 /nfs/dbraw/zinc/00/00/68/172000068.db2.gz MPRFIMXHCWTSKH-UHFFFAOYSA-N 0 0 247.729 3.744 10 0 BHAERN CCc1nc2ccccc2n1C(F)=C(F)F ZINC000057354521 522498278 /nfs/dbraw/zinc/49/82/78/522498278.db2.gz IBCBYBKREJWHAQ-UHFFFAOYSA-N 0 0 226.201 3.591 10 0 BHAERN CCCc1nc2ccccc2n1C(F)=C(F)F ZINC000057354523 521544943 /nfs/dbraw/zinc/54/49/43/521544943.db2.gz XATLJZSUOUKHDZ-UHFFFAOYSA-N 0 0 240.228 3.981 10 0 BHAERN Fc1ccc2[nH]c3c(c2c1)CCCCCC3 ZINC000057360133 526367640 /nfs/dbraw/zinc/36/76/40/526367640.db2.gz CMAZEWSGUFRYEE-UHFFFAOYSA-N 0 0 217.287 3.966 10 0 BHAERN Cc1ccc(N2c3ccccc3C[C@@H]2C)c(N)c1 ZINC000057384297 188301277 /nfs/dbraw/zinc/30/12/77/188301277.db2.gz PEVHKEMUSNDFDZ-LBPRGKRZSA-N 0 0 238.334 3.660 10 0 BHAERN Cc1ccc(N2c3ccccc3C[C@H]2C)c(N)c1 ZINC000057384298 187272711 /nfs/dbraw/zinc/27/27/11/187272711.db2.gz PEVHKEMUSNDFDZ-GFCCVEGCSA-N 0 0 238.334 3.660 10 0 BHAERN CCCNc1nc2ccc(OCC)cc2s1 ZINC000057461030 169296391 /nfs/dbraw/zinc/29/63/91/169296391.db2.gz CWANKVIKPNIIKZ-UHFFFAOYSA-N 0 0 236.340 3.517 10 0 BHAERN Cc1ccc([C@@H](C)NC(=O)CCC2CCCC2)o1 ZINC000057464744 368493349 /nfs/dbraw/zinc/49/33/49/368493349.db2.gz NMRKZVPPFDVUTB-GFCCVEGCSA-N 0 0 249.354 3.736 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)CCC2CCCC2)o1 ZINC000057464746 368493950 /nfs/dbraw/zinc/49/39/50/368493950.db2.gz NMRKZVPPFDVUTB-LBPRGKRZSA-N 0 0 249.354 3.736 10 0 BHAERN Cc1ccc([C@@H](C)NC(=O)CC2CCCCC2)o1 ZINC000057465396 359947148 /nfs/dbraw/zinc/94/71/48/359947148.db2.gz WSDDYGAWCVJXKP-GFCCVEGCSA-N 0 0 249.354 3.736 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)CC2CCCCC2)o1 ZINC000057465398 368494006 /nfs/dbraw/zinc/49/40/06/368494006.db2.gz WSDDYGAWCVJXKP-LBPRGKRZSA-N 0 0 249.354 3.736 10 0 BHAERN Cc1nc(C)c(-c2cccc(C)c2)s1 ZINC000057491959 179000279 /nfs/dbraw/zinc/00/02/79/179000279.db2.gz IIXNFKFGZJFJJO-UHFFFAOYSA-N 0 0 203.310 3.735 10 0 BHAERN Cc1nc(C)c(-c2ccc(C)cc2)s1 ZINC000057491962 178344500 /nfs/dbraw/zinc/34/45/00/178344500.db2.gz LMJCURJABHFLNU-UHFFFAOYSA-N 0 0 203.310 3.735 10 0 BHAERN Cc1nc(C)c(-c2ccccc2F)s1 ZINC000057494546 388361739 /nfs/dbraw/zinc/36/17/39/388361739.db2.gz IFMACCJCQOEVIL-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN Cc1nc(C)c(-c2ccc(F)cc2)s1 ZINC000057494551 179898668 /nfs/dbraw/zinc/89/86/68/179898668.db2.gz JHSGPMWKBUNCIN-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN Cc1nc(C)c(-c2ccccc2Cl)o1 ZINC000057495141 179898645 /nfs/dbraw/zinc/89/86/45/179898645.db2.gz CVQXLEBNEUDQSG-UHFFFAOYSA-N 0 0 207.660 3.612 10 0 BHAERN Cc1nc(C)c(-c2cccc(Cl)c2)o1 ZINC000057495143 179898544 /nfs/dbraw/zinc/89/85/44/179898544.db2.gz LBMCZGULGKAFPS-UHFFFAOYSA-N 0 0 207.660 3.612 10 0 BHAERN Cc1ncsc1-c1ccccc1Cl ZINC000057496093 180302188 /nfs/dbraw/zinc/30/21/88/180302188.db2.gz QTHQUFZQFWLJML-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN Cc1ncsc1-c1cccc(Cl)c1 ZINC000057496095 180302356 /nfs/dbraw/zinc/30/23/56/180302356.db2.gz WJGHYZFWKRSNFA-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN Cc1ncsc1-c1ccc(Cl)cc1 ZINC000057496097 180302019 /nfs/dbraw/zinc/30/20/19/180302019.db2.gz JSBABHOWFPBFNE-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN c1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000057497476 491128513 /nfs/dbraw/zinc/12/85/13/491128513.db2.gz SVSZZZFSPTTXOZ-UHFFFAOYSA-N 0 0 215.321 3.689 10 0 BHAERN CC(C)(C)c1ccc([C@@H]2CC[C@H](O)C2)cc1 ZINC000057499590 188126814 /nfs/dbraw/zinc/12/68/14/188126814.db2.gz PIUJTPHQUSJHGA-OCCSQVGLSA-N 0 0 218.340 3.613 10 0 BHAERN CC(C)(C)c1ccc([C@H]2CC[C@@H](O)C2)cc1 ZINC000057499596 188127359 /nfs/dbraw/zinc/12/73/59/188127359.db2.gz PIUJTPHQUSJHGA-GXTWGEPZSA-N 0 0 218.340 3.613 10 0 BHAERN C[C@H](O)c1ccc(N2CCCCCCC2)cc1 ZINC000057508524 177017242 /nfs/dbraw/zinc/01/72/42/177017242.db2.gz RXLBQNHUUMVCRL-ZDUSSCGKSA-N 0 0 233.355 3.510 10 0 BHAERN CC[C@@H]1CCCCN1c1ccc([C@@H](C)O)cc1 ZINC000057508556 132365773 /nfs/dbraw/zinc/36/57/73/132365773.db2.gz NKJLKJHNFUBCHW-TZMCWYRMSA-N 0 0 233.355 3.509 10 0 BHAERN CC[C@H]1CCCCN1c1ccc([C@@H](C)O)cc1 ZINC000057508558 132365834 /nfs/dbraw/zinc/36/58/34/132365834.db2.gz NKJLKJHNFUBCHW-OCCSQVGLSA-N 0 0 233.355 3.509 10 0 BHAERN CC[C@H](C)N(CC)c1ccc(F)cc1[C@@H](C)O ZINC000057508574 171311780 /nfs/dbraw/zinc/31/17/80/171311780.db2.gz AQOQJLUFSIMJJF-WDEREUQCSA-N 0 0 239.334 3.504 10 0 BHAERN Brc1ccc2c(c1)CCCCC2 ZINC000057516873 166100292 /nfs/dbraw/zinc/10/02/92/166100292.db2.gz GEXWMIGTRHZRGU-UHFFFAOYSA-N 0 0 225.129 3.718 10 0 BHAERN Cc1ncsc1-c1c(F)cccc1Cl ZINC000057517765 180301780 /nfs/dbraw/zinc/30/17/80/180301780.db2.gz QMOQUGQCBKBZHX-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN CC(C)(C)c1ccc(C[C@@](C)(O)C2CC2)cc1 ZINC000057521153 187273114 /nfs/dbraw/zinc/27/31/14/187273114.db2.gz IVGCYISGCBNTHG-MRXNPFEDSA-N 0 0 232.367 3.688 10 0 BHAERN Cc1ccc(C(C)(C)C)cc1C1(C)OCCO1 ZINC000057524142 178447510 /nfs/dbraw/zinc/44/75/10/178447510.db2.gz WZCHTACQFQPBCB-UHFFFAOYSA-N 0 0 234.339 3.512 10 0 BHAERN CC(C)[C@@](C)(O)Cc1ccc(C(C)(C)C)cc1 ZINC000057524629 188127663 /nfs/dbraw/zinc/12/76/63/188127663.db2.gz JIXPQJSGFOKYJK-INIZCTEOSA-N 0 0 234.383 3.934 10 0 BHAERN Brc1scnc1-c1ccccc1 ZINC000057533305 166108868 /nfs/dbraw/zinc/10/88/68/166108868.db2.gz QFARJSULJPZIFH-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1scnc1-c1cccs1 ZINC000057535348 166108755 /nfs/dbraw/zinc/10/87/55/166108755.db2.gz HVXFANAOFOLISK-UHFFFAOYSA-N 0 0 246.154 3.634 10 0 BHAERN CC(C)[C@@](C)(O)Cc1ccc(Cl)cc1Cl ZINC000057536012 188009643 /nfs/dbraw/zinc/00/96/43/188009643.db2.gz HGVGIBZIJJBHBB-LBPRGKRZSA-N 0 0 247.165 3.943 10 0 BHAERN Cc1cnc2[nH]c(-c3ccc(C)c(C)c3)nc2c1 ZINC000057765230 179657103 /nfs/dbraw/zinc/65/71/03/179657103.db2.gz QTWPYMRWUVXSFF-UHFFFAOYSA-N 0 0 237.306 3.550 10 0 BHAERN Cc1cnc2[nH]c(CCC3CCCCC3)nc2c1 ZINC000057765260 179657612 /nfs/dbraw/zinc/65/76/12/179657612.db2.gz AAKZJMYHHRXTKE-UHFFFAOYSA-N 0 0 243.354 3.779 10 0 BHAERN CCN(c1ccccc1C)[C@H]1CCCCCC1=O ZINC000057896085 169943972 /nfs/dbraw/zinc/94/39/72/169943972.db2.gz YYQJCGXMRGZPJG-HNNXBMFYSA-N 0 0 245.366 3.723 10 0 BHAERN Fc1cc2c(cc1F)N[C@H](c1ccccc1)CN2 ZINC000057923124 180956389 /nfs/dbraw/zinc/95/63/89/180956389.db2.gz YVKUZZUJUCTUHL-AWEZNQCLSA-N 0 0 246.260 3.544 10 0 BHAERN CC1(C)CNc2cc(Cl)c(Cl)cc2N1 ZINC000057923207 167969108 /nfs/dbraw/zinc/96/91/08/167969108.db2.gz OWFMYDBMXRJBKV-UHFFFAOYSA-N 0 0 231.126 3.609 10 0 BHAERN CC[C@@H]1CNc2cc(Cl)c(Cl)cc2N1 ZINC000057923215 171103611 /nfs/dbraw/zinc/10/36/11/171103611.db2.gz WQXPXUXLTBXCAX-ZCFIWIBFSA-N 0 0 231.126 3.609 10 0 BHAERN CCC(CC)CN1c2ccccc2NC[C@@H]1C ZINC000057924180 132367014 /nfs/dbraw/zinc/36/70/14/132367014.db2.gz SJMJGCQRANWQMI-LBPRGKRZSA-N 0 0 232.371 3.743 10 0 BHAERN CCC(CC)CN1c2ccccc2NC[C@H]1C ZINC000057924184 132366976 /nfs/dbraw/zinc/36/69/76/132366976.db2.gz SJMJGCQRANWQMI-GFCCVEGCSA-N 0 0 232.371 3.743 10 0 BHAERN C[C@@H]1CNc2ccccc2N1CC1CCCCC1 ZINC000057924505 132366966 /nfs/dbraw/zinc/36/69/66/132366966.db2.gz PYYJYUKMKXINMF-CYBMUJFWSA-N 0 0 244.382 3.887 10 0 BHAERN C[C@H]1CNc2ccccc2N1CC1CCCCC1 ZINC000057924509 132366986 /nfs/dbraw/zinc/36/69/86/132366986.db2.gz PYYJYUKMKXINMF-ZDUSSCGKSA-N 0 0 244.382 3.887 10 0 BHAERN C[C@@H]1CNc2ccccc2N1Cc1cccs1 ZINC000057924646 132366952 /nfs/dbraw/zinc/36/69/52/132366952.db2.gz PNXNGIGYHYQSRA-LLVKDONJSA-N 0 0 244.363 3.569 10 0 BHAERN C[C@H]1CNc2ccccc2N1Cc1cccs1 ZINC000057924653 132367019 /nfs/dbraw/zinc/36/70/19/132367019.db2.gz PNXNGIGYHYQSRA-NSHDSACASA-N 0 0 244.363 3.569 10 0 BHAERN CC(C)(C)c1ccc2c(c1)NCCCC2 ZINC000057937951 385651608 /nfs/dbraw/zinc/65/16/08/385651608.db2.gz LCBMTDNWBYAWKD-UHFFFAOYSA-N 0 0 203.329 3.732 10 0 BHAERN Cc1cc(NCCC2CCCCC2)ccc1N ZINC000057939945 178158015 /nfs/dbraw/zinc/15/80/15/178158015.db2.gz UOETXAGGMZZIHA-UHFFFAOYSA-N 0 0 232.371 3.960 10 0 BHAERN CNc1nc(C)c(-c2ccc(Cl)cc2)s1 ZINC000058003252 173485500 /nfs/dbraw/zinc/48/55/00/173485500.db2.gz KIUKUCDEIRTRNZ-UHFFFAOYSA-N 0 0 238.743 3.814 10 0 BHAERN CC1=NC(=S)SC1c1ccccc1C ZINC000058003302 179241469 /nfs/dbraw/zinc/24/14/69/179241469.db2.gz OBAMSCFNWIUGKM-UHFFFAOYSA-N 0 0 221.350 3.716 10 0 BHAERN CC1=NC(=S)SC1c1ccc(C)cc1 ZINC000058003304 178344784 /nfs/dbraw/zinc/34/47/84/178344784.db2.gz TZPHSYQISKQUSE-UHFFFAOYSA-N 0 0 221.350 3.716 10 0 BHAERN CCC(=O)Cc1cccc(Cl)c1Cl ZINC000058003601 168209787 /nfs/dbraw/zinc/20/97/87/168209787.db2.gz IOAUHNXVEKCIMB-UHFFFAOYSA-N 0 0 217.095 3.515 10 0 BHAERN CC1=NC(=S)SC1c1ccc(F)cc1 ZINC000058003711 180028888 /nfs/dbraw/zinc/02/88/88/180028888.db2.gz FXIFBVVYBFPTOE-UHFFFAOYSA-N 0 0 225.313 3.546 10 0 BHAERN CCSc1ccc(C(=O)C(C)C)cc1 ZINC000058016419 385947352 /nfs/dbraw/zinc/94/73/52/385947352.db2.gz CFCVIUZWOCSIIQ-UHFFFAOYSA-N 0 0 208.326 3.637 10 0 BHAERN Clc1cc(Cl)nc(C2CCCCC2)n1 ZINC000058048935 180575878 /nfs/dbraw/zinc/57/58/78/180575878.db2.gz DUYIRAHITOGHHU-UHFFFAOYSA-N 0 0 231.126 3.831 10 0 BHAERN Cc1ccccc1-c1nc(Cl)cc(Cl)n1 ZINC000058048952 179238194 /nfs/dbraw/zinc/23/81/94/179238194.db2.gz GDJGWGCBZULKBA-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN Cc1cccc(-c2nc(Cl)cc(Cl)n2)c1 ZINC000058048954 384983450 /nfs/dbraw/zinc/98/34/50/384983450.db2.gz KKAXFOQKQBRERL-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN Fc1ccccc1-c1nc(Cl)cc(Cl)n1 ZINC000058048971 181008836 /nfs/dbraw/zinc/00/88/36/181008836.db2.gz RDZOKDZPLHEVAI-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN C/C=C/C=C/C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000058115975 640678086 /nfs/dbraw/zinc/67/80/86/640678086.db2.gz DFIIHJVKKLJWAW-WRKGSVQYSA-N 0 0 243.350 3.559 10 0 BHAERN CC[C@@H]1CNc2cc(C(C)(C)C)ccc2O1 ZINC000058235138 171102405 /nfs/dbraw/zinc/10/24/05/171102405.db2.gz AUDWFGWNYMROBP-LLVKDONJSA-N 0 0 219.328 3.567 10 0 BHAERN CC(C)(C)c1ccc2c(c1)NCC(C)(C)O2 ZINC000058235148 167969135 /nfs/dbraw/zinc/96/91/35/167969135.db2.gz OFURADAJBURGOR-UHFFFAOYSA-N 0 0 219.328 3.567 10 0 BHAERN CC(=O)c1ccc(Sc2ccccc2)c(N)c1 ZINC000058235697 384989309 /nfs/dbraw/zinc/98/93/09/384989309.db2.gz CYTIRTCFQNIQHU-UHFFFAOYSA-N 0 0 243.331 3.623 10 0 BHAERN CC(C)(C)c1ccc(CSCCCO)cc1 ZINC000058258147 188301928 /nfs/dbraw/zinc/30/19/28/188301928.db2.gz VOJCBCXDFOVZPY-UHFFFAOYSA-N 0 0 238.396 3.600 10 0 BHAERN CCCCSc1ccc([C@@H](C)O)cc1F ZINC000058823269 343702657 /nfs/dbraw/zinc/70/26/57/343702657.db2.gz BSTONPUHAIAYGV-SECBINFHSA-N 0 0 228.332 3.771 10 0 BHAERN CCCCSc1ccc([C@H](C)O)cc1F ZINC000058823275 343702681 /nfs/dbraw/zinc/70/26/81/343702681.db2.gz BSTONPUHAIAYGV-VIFPVBQESA-N 0 0 228.332 3.771 10 0 BHAERN O=Cc1cc(F)ccc1Sc1ccccc1 ZINC000058824964 385028265 /nfs/dbraw/zinc/02/82/65/385028265.db2.gz CESKCSKSEUPCIV-UHFFFAOYSA-N 0 0 232.279 3.789 10 0 BHAERN O=C(CCSCc1ccco1)c1ccccc1 ZINC000058826319 526540629 /nfs/dbraw/zinc/54/06/29/526540629.db2.gz BODXWNHIBVLUGG-UHFFFAOYSA-N 0 0 246.331 3.786 10 0 BHAERN O=C(CCSc1ccccn1)c1cccs1 ZINC000058826563 526545458 /nfs/dbraw/zinc/54/54/58/526545458.db2.gz HBGQDZNWIXKGEC-UHFFFAOYSA-N 0 0 249.360 3.508 10 0 BHAERN Cc1ccc(-c2ncc(-c3ccccc3)nn2)cc1 ZINC000058951276 178338800 /nfs/dbraw/zinc/33/88/00/178338800.db2.gz UZJJQPKKLRPFOB-UHFFFAOYSA-N 0 0 247.301 3.514 10 0 BHAERN Fc1c2c(c(F)c(F)c1F)[C@H]1C=CC13C=C[C@@H]23 ZINC000058969493 180946835 /nfs/dbraw/zinc/94/68/35/180946835.db2.gz GJLRELBBFMANDE-JQHFCGMOSA-N 0 0 238.183 3.550 10 0 BHAERN CC(=O)OCc1ccc(Oc2ccccc2)cc1 ZINC000059020737 191000369 /nfs/dbraw/zinc/00/03/69/191000369.db2.gz NPBRZCWOLPAWQM-UHFFFAOYSA-N 0 0 242.274 3.542 10 0 BHAERN c1[nH]c2cnccc2c1C1CCCCC1 ZINC000059027229 183364822 /nfs/dbraw/zinc/36/48/22/183364822.db2.gz DJNBWVKKUCEELR-UHFFFAOYSA-N 0 0 200.285 3.611 10 0 BHAERN Oc1ccc(-c2cc3ccccc3o2)c(O)c1 ZINC000059042290 183264877 /nfs/dbraw/zinc/26/48/77/183264877.db2.gz VVIAFPKKGSQBGW-UHFFFAOYSA-N 0 0 226.231 3.511 10 0 BHAERN CC[C@](C)(Br)c1ccccc1 ZINC000059073431 171688883 /nfs/dbraw/zinc/68/88/83/171688883.db2.gz WPOMMYPMVKZDQY-JTQLQIEISA-N 0 0 213.118 3.707 10 0 BHAERN CC[C@@](C)(Br)c1ccccc1 ZINC000059073434 171161662 /nfs/dbraw/zinc/16/16/62/171161662.db2.gz WPOMMYPMVKZDQY-SNVBAGLBSA-N 0 0 213.118 3.707 10 0 BHAERN Cc1nc2ccccc2n1-c1ccccc1Cl ZINC000059111790 347227420 /nfs/dbraw/zinc/22/74/20/347227420.db2.gz AUAVUOZGJBHHNL-UHFFFAOYSA-N 0 0 242.709 3.987 10 0 BHAERN O=Cc1cccc(Oc2ccc(F)c(F)c2)c1 ZINC000059128846 349203559 /nfs/dbraw/zinc/20/35/59/349203559.db2.gz HRSZGDDOALLQPJ-UHFFFAOYSA-N 0 0 234.201 3.570 10 0 BHAERN Cc1ccc(C(=O)c2ccc3[nH]ccc3c2)cc1 ZINC000059130396 385038616 /nfs/dbraw/zinc/03/86/16/385038616.db2.gz OQMVUDCCFCZRSA-UHFFFAOYSA-N 0 0 235.286 3.707 10 0 BHAERN CC(C)(C)[C@H](O)CSc1ccc(Cl)cc1 ZINC000059162280 324002447 /nfs/dbraw/zinc/00/24/47/324002447.db2.gz CYZBMRJORFYODK-LLVKDONJSA-N 0 0 244.787 3.839 10 0 BHAERN CC(C)(C)[C@@H](O)CSc1ccc(Cl)cc1 ZINC000059162281 324002405 /nfs/dbraw/zinc/00/24/05/324002405.db2.gz CYZBMRJORFYODK-NSHDSACASA-N 0 0 244.787 3.839 10 0 BHAERN CC(C)(C)[C@H](O)CSc1ccccc1Cl ZINC000059162284 324002561 /nfs/dbraw/zinc/00/25/61/324002561.db2.gz ZUXNNEKKRPMTEV-LLVKDONJSA-N 0 0 244.787 3.839 10 0 BHAERN CC(C)(C)[C@@H](O)CSc1ccccc1Cl ZINC000059162285 324001893 /nfs/dbraw/zinc/00/18/93/324001893.db2.gz ZUXNNEKKRPMTEV-NSHDSACASA-N 0 0 244.787 3.839 10 0 BHAERN Oc1ccc2c(Cl)c(O)ccc2c1Cl ZINC000059162645 323085457 /nfs/dbraw/zinc/08/54/57/323085457.db2.gz JIMGROGEZZBSDW-UHFFFAOYSA-N 0 0 229.062 3.558 10 0 BHAERN Clc1c[nH]c2ccc(Br)cc12 ZINC000059163049 180574034 /nfs/dbraw/zinc/57/40/34/180574034.db2.gz ANOFZWUTBYSHSI-UHFFFAOYSA-N 0 0 230.492 3.584 10 0 BHAERN CC(=O)c1ccc2c(Br)cccc2c1 ZINC000059190035 368334114 /nfs/dbraw/zinc/33/41/14/368334114.db2.gz NXILYROBKJDWFE-UHFFFAOYSA-N 0 0 249.107 3.805 10 0 BHAERN O=C1CCSc2cc(Cl)cc(Cl)c21 ZINC000059194281 372149471 /nfs/dbraw/zinc/14/94/71/372149471.db2.gz OQUVTMSACYZNAS-UHFFFAOYSA-N 0 0 233.119 3.672 10 0 BHAERN COc1ccc2nc(Cl)c(F)c(Cl)c2c1 ZINC000059202745 175229444 /nfs/dbraw/zinc/22/94/44/175229444.db2.gz GZQDRLXPINAUCK-UHFFFAOYSA-N 0 0 246.068 3.689 10 0 BHAERN Cc1ccccc1C1=CCc2ccccc21 ZINC000059245653 347228014 /nfs/dbraw/zinc/22/80/14/347228014.db2.gz YDGNJJICOKITSM-UHFFFAOYSA-N 0 0 206.288 3.983 10 0 BHAERN Cc1ccc(-c2nc(Cl)cc(Cl)n2)s1 ZINC000059246811 178336267 /nfs/dbraw/zinc/33/62/67/178336267.db2.gz GOTMAPBEXNDSCQ-UHFFFAOYSA-N 0 0 245.134 3.820 10 0 BHAERN CCOC(=O)CCCCCCc1ccccc1 ZINC000059258205 368334101 /nfs/dbraw/zinc/33/41/01/368334101.db2.gz DCTOMVAFOAGKCI-UHFFFAOYSA-N 0 0 234.339 3.743 10 0 BHAERN Brc1ccc(CC2=CCC2)cc1 ZINC000059268748 166097491 /nfs/dbraw/zinc/09/74/91/166097491.db2.gz IOHOZGPBCVBCLK-UHFFFAOYSA-N 0 0 223.113 3.712 10 0 BHAERN ClC12CC3C4CC5CC3C(C1)C(C5)C4C2 ZINC000059272680 180568893 /nfs/dbraw/zinc/56/88/93/180568893.db2.gz VMIPSVHWBCFCCS-UHFFFAOYSA-N 0 0 222.759 3.686 10 0 BHAERN Cc1cc(Cl)nc2c1ccn2-c1ccccc1 ZINC000059366990 178072646 /nfs/dbraw/zinc/07/26/46/178072646.db2.gz GGGCNOKBJBAOBI-UHFFFAOYSA-N 0 0 242.709 3.987 10 0 BHAERN Cc1cc(Cl)nc2c1CCN2c1ccccc1 ZINC000059366991 178073611 /nfs/dbraw/zinc/07/36/11/178073611.db2.gz VZVDZPWINONBOC-UHFFFAOYSA-N 0 0 244.725 3.738 10 0 BHAERN S=C1O/C(=C/c2ccccc2)c2ccccc21 ZINC000059379626 183313939 /nfs/dbraw/zinc/31/39/39/183313939.db2.gz JRTUCQNOYUSDJE-GXDHUFHOSA-N 0 0 238.311 3.890 10 0 BHAERN CC(C)CC1=N[C@@H](C)S[C@@H](C)S1 ZINC000059398103 166785076 /nfs/dbraw/zinc/78/50/76/166785076.db2.gz NPWFQLPBLFKFCT-HTQZYQBOSA-N 0 0 203.376 3.603 10 0 BHAERN CC(C)CC1=N[C@H](C)S[C@@H](C)S1 ZINC000059398104 166785529 /nfs/dbraw/zinc/78/55/29/166785529.db2.gz NPWFQLPBLFKFCT-JGVFFNPUSA-N 0 0 203.376 3.603 10 0 BHAERN CC(C)CC1=N[C@@H](C)S[C@H](C)S1 ZINC000059398105 385047446 /nfs/dbraw/zinc/04/74/46/385047446.db2.gz NPWFQLPBLFKFCT-SFYZADRCSA-N 0 0 203.376 3.603 10 0 BHAERN CC(C)CC1=N[C@H](C)S[C@H](C)S1 ZINC000059398106 385045654 /nfs/dbraw/zinc/04/56/54/385045654.db2.gz NPWFQLPBLFKFCT-YUMQZZPRSA-N 0 0 203.376 3.603 10 0 BHAERN O[C@H](CSCC1CCCC1)c1ccccc1 ZINC000059415747 640807439 /nfs/dbraw/zinc/80/74/39/640807439.db2.gz XLLMRNRBJOHNSL-CQSZACIVSA-N 0 0 236.380 3.643 10 0 BHAERN O[C@@H](CSCC1CCCC1)c1ccccc1 ZINC000059415749 640807635 /nfs/dbraw/zinc/80/76/35/640807635.db2.gz XLLMRNRBJOHNSL-AWEZNQCLSA-N 0 0 236.380 3.643 10 0 BHAERN Fc1ccccc1-c1nc2ccccc2o1 ZINC000059416047 181009569 /nfs/dbraw/zinc/00/95/69/181009569.db2.gz ITCOJPNIUARGCH-UHFFFAOYSA-N 0 0 213.211 3.634 10 0 BHAERN CC(=O)Cc1ccc(OC2CCCCC2)cc1 ZINC000059441096 191000399 /nfs/dbraw/zinc/00/03/99/191000399.db2.gz ASIKMXULJWORQM-UHFFFAOYSA-N 0 0 232.323 3.530 10 0 BHAERN C=C1c2ccccc2NC(=O)N1C1CCCCC1 ZINC000059442859 388397083 /nfs/dbraw/zinc/39/70/83/388397083.db2.gz IKTYDQQGYHOVRS-UHFFFAOYSA-N 0 0 242.322 3.838 10 0 BHAERN Brc1ccccc1-c1ccncc1 ZINC000059522991 372194337 /nfs/dbraw/zinc/19/43/37/372194337.db2.gz GZZVURXUOZUXDO-UHFFFAOYSA-N 0 0 234.096 3.511 10 0 BHAERN CC(C)(C)c1cc(Cl)c(O)cc1Cl ZINC000059557333 343710469 /nfs/dbraw/zinc/71/04/69/343710469.db2.gz UBLDZSSBAAKNKN-UHFFFAOYSA-N 0 0 219.111 3.997 10 0 BHAERN Cc1cc(C)c(-c2cccc(CO)c2)c(C)c1 ZINC000059570181 347230344 /nfs/dbraw/zinc/23/03/44/347230344.db2.gz MTXLCINIBCQGIT-UHFFFAOYSA-N 0 0 226.319 3.771 10 0 BHAERN CCC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000059570921 539013955 /nfs/dbraw/zinc/01/39/55/539013955.db2.gz DETUEAULDUYMKW-UHFFFAOYSA-N 0 0 249.310 3.626 10 0 BHAERN COc1cc(C(C)C)ccc1Br ZINC000059573004 174951888 /nfs/dbraw/zinc/95/18/88/174951888.db2.gz GKVJIKIJDVVNHH-UHFFFAOYSA-N 0 0 229.117 3.581 10 0 BHAERN C=Cc1ccc(-c2nc3ccccc3n2C)cc1 ZINC000059589342 640818122 /nfs/dbraw/zinc/81/81/22/640818122.db2.gz JPOCVGKMJUFJOD-UHFFFAOYSA-N 0 0 234.302 3.883 10 0 BHAERN Cc1ccccc1-c1ccnc(Cl)c1 ZINC000059613742 179236897 /nfs/dbraw/zinc/23/68/97/179236897.db2.gz CITOQDHQXBDVAD-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Brc1cncc(Nc2ccccc2)c1 ZINC000059618223 166104593 /nfs/dbraw/zinc/10/45/93/166104593.db2.gz CLJFXGSBLDGKJD-UHFFFAOYSA-N 0 0 249.111 3.588 10 0 BHAERN Fc1ccc(-n2ccc3ccccc32)c(F)c1 ZINC000059619829 180959541 /nfs/dbraw/zinc/95/95/41/180959541.db2.gz OGLQDYFJHLPBPF-UHFFFAOYSA-N 0 0 229.229 3.909 10 0 BHAERN O=Cc1oc2ccc(Cl)cc2c1Cl ZINC000059620514 182877698 /nfs/dbraw/zinc/87/76/98/182877698.db2.gz AKOFMIABOHTMDZ-UHFFFAOYSA-N 0 0 215.035 3.552 10 0 BHAERN CC1(C)CCc2cc(Br)ccc2N1 ZINC000059650012 342838640 /nfs/dbraw/zinc/83/86/40/342838640.db2.gz TVQLUTMFPJMIOS-UHFFFAOYSA-N 0 0 240.144 3.586 10 0 BHAERN O=Cc1ccc(Cc2cccc(Cl)c2)s1 ZINC000059679443 349228179 /nfs/dbraw/zinc/22/81/79/349228179.db2.gz JBNFRQWGCOQIAG-UHFFFAOYSA-N 0 0 236.723 3.805 10 0 BHAERN CC(C)(C)c1cc(Cl)nc(Cl)c1 ZINC000059682833 188302775 /nfs/dbraw/zinc/30/27/75/188302775.db2.gz NZBWJWSQADQOKF-UHFFFAOYSA-N 0 0 204.100 3.686 10 0 BHAERN CCCc1ccc2nc(Cl)ccc2c1 ZINC000059693485 342855093 /nfs/dbraw/zinc/85/50/93/342855093.db2.gz HSHBABBQUAMOTR-UHFFFAOYSA-N 0 0 205.688 3.841 10 0 BHAERN Cc1cccc([C@@H]2Nc3ccccc3S2)n1 ZINC000059717909 347230178 /nfs/dbraw/zinc/23/01/78/347230178.db2.gz HEAORWHUCSSBEM-CYBMUJFWSA-N 0 0 228.320 3.606 10 0 BHAERN Cc1cccc([C@H]2Nc3ccccc3S2)n1 ZINC000059717916 343712556 /nfs/dbraw/zinc/71/25/56/343712556.db2.gz HEAORWHUCSSBEM-ZDUSSCGKSA-N 0 0 228.320 3.606 10 0 BHAERN COc1ccc(C2=CCC(C)(C)CC2)c(N)c1 ZINC000059755164 347230274 /nfs/dbraw/zinc/23/02/74/347230274.db2.gz YKTOPHKAQQKCRB-UHFFFAOYSA-N 0 0 231.339 3.871 10 0 BHAERN Cc1ccc(Cl)c(C(=O)c2ccccc2)c1 ZINC000059802971 350498176 /nfs/dbraw/zinc/49/81/76/350498176.db2.gz UNXPCIWVYJGEEA-UHFFFAOYSA-N 0 0 230.694 3.879 10 0 BHAERN Oc1ccc2cc(-c3ccccc3)[nH]c2c1 ZINC000059811281 183284989 /nfs/dbraw/zinc/28/49/89/183284989.db2.gz OPNPAIWYDKHYFB-UHFFFAOYSA-N 0 0 209.248 3.541 10 0 BHAERN Cc1nc2cc(Cl)cc(Cl)c2s1 ZINC000059826135 180080326 /nfs/dbraw/zinc/08/03/26/180080326.db2.gz JLIMBAHJHWNYBR-UHFFFAOYSA-N 0 0 218.108 3.912 10 0 BHAERN Cc1ccc(-c2cccc(Cl)n2)cc1 ZINC000059853826 349255097 /nfs/dbraw/zinc/25/50/97/349255097.db2.gz OFVVJRNJCTZGJC-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cccc(C)c1-c1cccc2c1CC[C@@H]2O ZINC000059861649 343713712 /nfs/dbraw/zinc/71/37/12/343713712.db2.gz VOWRUMIWLXRJMP-INIZCTEOSA-N 0 0 238.330 3.950 10 0 BHAERN Cc1cccc(C)c1-c1cccc2c1CC[C@H]2O ZINC000059861654 368336190 /nfs/dbraw/zinc/33/61/90/368336190.db2.gz VOWRUMIWLXRJMP-MRXNPFEDSA-N 0 0 238.330 3.950 10 0 BHAERN Cc1cc(C)c2nc(Cl)nc(Cl)c2c1 ZINC000059866623 384403118 /nfs/dbraw/zinc/40/31/18/384403118.db2.gz GJDSEEKMDIBMNC-UHFFFAOYSA-N 0 0 227.094 3.553 10 0 BHAERN CCCOc1cc(C(F)(F)F)ccc1F ZINC000059868561 343713455 /nfs/dbraw/zinc/71/34/55/343713455.db2.gz YDLIMIRAWKRQHO-UHFFFAOYSA-N 0 0 222.181 3.633 10 0 BHAERN Oc1cccc(Cc2ccccc2)c1Cl ZINC000059870380 183293234 /nfs/dbraw/zinc/29/32/34/183293234.db2.gz LPGXETZQYQWXOF-UHFFFAOYSA-N 0 0 218.683 3.636 10 0 BHAERN Cc1cc2ccccc2n1-c1cccc(C=O)c1 ZINC000059871385 343713412 /nfs/dbraw/zinc/71/34/12/343713412.db2.gz ZRSKKVOUDJSTSB-UHFFFAOYSA-N 0 0 235.286 3.751 10 0 BHAERN Cc1sc(C)c(-c2cccc(CO)c2)c1C ZINC000059871827 347230567 /nfs/dbraw/zinc/23/05/67/347230567.db2.gz KPFPYOBSRZOFCT-UHFFFAOYSA-N 0 0 232.348 3.833 10 0 BHAERN CC(C)(C)c1ccccc1N1CCCC1 ZINC000059970313 349257608 /nfs/dbraw/zinc/25/76/08/349257608.db2.gz CZVNJRWXRAYYTG-UHFFFAOYSA-N 0 0 203.329 3.584 10 0 BHAERN O=C1c2ccccc2[C@@H]2C[C@@H]2c2ccccc21 ZINC000059970318 368335605 /nfs/dbraw/zinc/33/56/05/368335605.db2.gz MZBRTXJRPPZHKQ-GASCZTMLSA-N 0 0 220.271 3.502 10 0 BHAERN O=C1c2ccccc2[C@H]2C[C@@H]2c2ccccc21 ZINC000059970320 368334985 /nfs/dbraw/zinc/33/49/85/368334985.db2.gz MZBRTXJRPPZHKQ-HUUCEWRRSA-N 0 0 220.271 3.502 10 0 BHAERN O=C1c2ccccc2[C@@H]2C[C@H]2c2ccccc21 ZINC000059970321 368335704 /nfs/dbraw/zinc/33/57/04/368335704.db2.gz MZBRTXJRPPZHKQ-GJZGRUSLSA-N 0 0 220.271 3.502 10 0 BHAERN Cc1cc(N)ccc1N1CCC(C(C)(C)C)CC1 ZINC000060038577 132368695 /nfs/dbraw/zinc/36/86/95/132368695.db2.gz BIGKMHTWEKNDAY-UHFFFAOYSA-N 0 0 246.398 3.840 10 0 BHAERN CCc1cc(O)c(Cl)c(CC)c1Cl ZINC000060053293 342888975 /nfs/dbraw/zinc/88/89/75/342888975.db2.gz FSMQFPSXJKGYOC-UHFFFAOYSA-N 0 0 219.111 3.824 10 0 BHAERN Cc1cccc(Br)c1NC(C)C ZINC000060087243 342893788 /nfs/dbraw/zinc/89/37/88/342893788.db2.gz UFZXUWVMTNBKBF-UHFFFAOYSA-N 0 0 228.133 3.578 10 0 BHAERN C[C@H]1[C@H]2C[C@H](C[C@H]2C2CCC(O)CC2)C1(C)C ZINC000060178583 177436596 /nfs/dbraw/zinc/43/65/96/177436596.db2.gz PCFHYANYPQEMPU-KAUMQCJPSA-N 0 0 236.399 3.856 10 0 BHAERN CC(C)(CC(=O)Cl)c1ccc(Cl)cc1 ZINC000060201565 368335574 /nfs/dbraw/zinc/33/55/74/368335574.db2.gz YQDKIHYWBMKOQB-UHFFFAOYSA-N 0 0 231.122 3.773 10 0 BHAERN CCCc1ccc(OCc2ccccc2)cn1 ZINC000060214737 343091511 /nfs/dbraw/zinc/09/15/11/343091511.db2.gz KXRPQRYJOVFBFG-UHFFFAOYSA-N 0 0 227.307 3.613 10 0 BHAERN CCSc1cc(=O)cc(-c2ccccc2)s1 ZINC000060248235 349282006 /nfs/dbraw/zinc/28/20/06/349282006.db2.gz ODZZJQIHKXPCQH-UHFFFAOYSA-N 0 0 248.372 3.887 10 0 BHAERN CCC(=O)c1ccc(OC)c(Cl)c1Cl ZINC000060266060 168256959 /nfs/dbraw/zinc/25/69/59/168256959.db2.gz FDXZDHGNCGMXKY-UHFFFAOYSA-N 0 0 233.094 3.595 10 0 BHAERN c1ccc2c(c1)CC(C1CCCCC1)C2 ZINC000060268341 347238180 /nfs/dbraw/zinc/23/81/80/347238180.db2.gz VTRWRNYDBVXOTB-UHFFFAOYSA-N 0 0 200.325 3.982 10 0 BHAERN c1ccc2[nH]c(-c3cccc4cccnc43)nc2c1 ZINC000060285987 369471186 /nfs/dbraw/zinc/47/11/86/369471186.db2.gz MSBBVISJVVAALS-UHFFFAOYSA-N 0 0 245.285 3.778 10 0 BHAERN COc1ccc2c(c1)[C@H](c1ccccc1)C=C2 ZINC000060289275 347238638 /nfs/dbraw/zinc/23/86/38/347238638.db2.gz AXSNHYKONIHNHH-HNNXBMFYSA-N 0 0 222.287 3.854 10 0 BHAERN COc1ccc2c(c1)[C@@H](c1ccccc1)C=C2 ZINC000060289279 347238195 /nfs/dbraw/zinc/23/81/95/347238195.db2.gz AXSNHYKONIHNHH-OAHLLOKOSA-N 0 0 222.287 3.854 10 0 BHAERN C[C@@H]1C[C@@H](C)CCN1c1ccc(N)cc1Cl ZINC000060392667 132368829 /nfs/dbraw/zinc/36/88/29/132368829.db2.gz HOOPSBLOKACPNG-VHSXEESVSA-N 0 0 238.762 3.547 10 0 BHAERN CC(C)[C@@H](C)NC(=O)c1cccc2ccccc21 ZINC000060626617 167379788 /nfs/dbraw/zinc/37/97/88/167379788.db2.gz MXGUMLAKUYZINA-GFCCVEGCSA-N 0 0 241.334 3.614 10 0 BHAERN CC(C)[C@@H](C)NC(=O)CCCC1CCCCC1 ZINC000060626623 368549339 /nfs/dbraw/zinc/54/93/39/368549339.db2.gz XFDGHMFULAISRH-CYBMUJFWSA-N 0 0 239.403 3.898 10 0 BHAERN Cc1cc(C)cc([C@@H]2CCCCC2=O)c1 ZINC000060710549 349325676 /nfs/dbraw/zinc/32/56/76/349325676.db2.gz ZJKPEGOGGSCPKX-ZDUSSCGKSA-N 0 0 202.297 3.530 10 0 BHAERN Cc1cc(C)cc([C@H]2CCCCC2=O)c1 ZINC000060710552 349325640 /nfs/dbraw/zinc/32/56/40/349325640.db2.gz ZJKPEGOGGSCPKX-CYBMUJFWSA-N 0 0 202.297 3.530 10 0 BHAERN Cc1cccc([C@@H]2CCCCC2=O)c1C ZINC000060710636 343720090 /nfs/dbraw/zinc/72/00/90/343720090.db2.gz RDMAHAMNUMBRNV-ZDUSSCGKSA-N 0 0 202.297 3.530 10 0 BHAERN Cc1cccc([C@H]2CCCCC2=O)c1C ZINC000060710641 384859260 /nfs/dbraw/zinc/85/92/60/384859260.db2.gz RDMAHAMNUMBRNV-CYBMUJFWSA-N 0 0 202.297 3.530 10 0 BHAERN CC(C)(C)c1ccc([C@@H]2CCCC2=O)cc1 ZINC000060710856 640880381 /nfs/dbraw/zinc/88/03/81/640880381.db2.gz ACXAQLSZTRGMAU-ZDUSSCGKSA-N 0 0 216.324 3.821 10 0 BHAERN CC(C)(C)c1ccc([C@H]2CCCC2=O)cc1 ZINC000060710863 635450986 /nfs/dbraw/zinc/45/09/86/635450986.db2.gz ACXAQLSZTRGMAU-CYBMUJFWSA-N 0 0 216.324 3.821 10 0 BHAERN Cc1cccc([C@@H]2CCCCCC2=O)c1 ZINC000060710941 640880148 /nfs/dbraw/zinc/88/01/48/640880148.db2.gz ZQXUWWVHVPGFFQ-ZDUSSCGKSA-N 0 0 202.297 3.612 10 0 BHAERN Cc1cccc([C@H]2CCCCCC2=O)c1 ZINC000060710945 640880290 /nfs/dbraw/zinc/88/02/90/640880290.db2.gz ZQXUWWVHVPGFFQ-CYBMUJFWSA-N 0 0 202.297 3.612 10 0 BHAERN Cc1cc(C)cc([C@@H]2CCCCCC2=O)c1 ZINC000060710964 640880316 /nfs/dbraw/zinc/88/03/16/640880316.db2.gz UOCRVHMPXOIYGP-AWEZNQCLSA-N 0 0 216.324 3.920 10 0 BHAERN Cc1cc(C)cc([C@H]2CCCCCC2=O)c1 ZINC000060710966 640879516 /nfs/dbraw/zinc/87/95/16/640879516.db2.gz UOCRVHMPXOIYGP-CQSZACIVSA-N 0 0 216.324 3.920 10 0 BHAERN CCc1ccc([C@@H]2CCCCCC2=O)cc1 ZINC000060711050 640879470 /nfs/dbraw/zinc/87/94/70/640879470.db2.gz OZTTUTNCPJSKPT-AWEZNQCLSA-N 0 0 216.324 3.866 10 0 BHAERN CCc1ccc([C@H]2CCCCCC2=O)cc1 ZINC000060711056 640880017 /nfs/dbraw/zinc/88/00/17/640880017.db2.gz OZTTUTNCPJSKPT-CQSZACIVSA-N 0 0 216.324 3.866 10 0 BHAERN O=C1CCCCC[C@H]1c1cccc(Cl)c1 ZINC000060711131 344197861 /nfs/dbraw/zinc/19/78/61/344197861.db2.gz UHYWTELNLLSBOU-LBPRGKRZSA-N 0 0 222.715 3.957 10 0 BHAERN O=C1CCCCC[C@@H]1c1cccc(Cl)c1 ZINC000060711135 344198235 /nfs/dbraw/zinc/19/82/35/344198235.db2.gz UHYWTELNLLSBOU-GFCCVEGCSA-N 0 0 222.715 3.957 10 0 BHAERN Cc1ccccc1[C@@H](C)NC(=O)C1(C)CCCC1 ZINC000060793060 344264148 /nfs/dbraw/zinc/26/41/48/344264148.db2.gz MUUCNXSOHPYFQX-CYBMUJFWSA-N 0 0 245.366 3.753 10 0 BHAERN Cc1ccccc1[C@H](C)NC(=O)C[C@H]1C=CCC1 ZINC000060952716 179336412 /nfs/dbraw/zinc/33/64/12/179336412.db2.gz JMNQICRMANUQEE-KBPBESRZSA-N 0 0 243.350 3.529 10 0 BHAERN CC(C)C[C@@H](C)Nc1cc(F)c(F)cc1F ZINC000061093068 384752432 /nfs/dbraw/zinc/75/24/32/384752432.db2.gz HWBDCPGBPDPTAK-MRVPVSSYSA-N 0 0 231.261 3.950 10 0 BHAERN CC(C)C[C@H](C)Nc1cc(F)c(F)cc1F ZINC000061093070 322858573 /nfs/dbraw/zinc/85/85/73/322858573.db2.gz HWBDCPGBPDPTAK-QMMMGPOBSA-N 0 0 231.261 3.950 10 0 BHAERN CC(C)C[C@@H](C)Nc1cc(F)cc(F)c1F ZINC000061099145 384750845 /nfs/dbraw/zinc/75/08/45/384750845.db2.gz ZCWQYXGJQGFFQM-MRVPVSSYSA-N 0 0 231.261 3.950 10 0 BHAERN CC(C)C[C@H](C)Nc1cc(F)cc(F)c1F ZINC000061099148 384752383 /nfs/dbraw/zinc/75/23/83/384752383.db2.gz ZCWQYXGJQGFFQM-QMMMGPOBSA-N 0 0 231.261 3.950 10 0 BHAERN Cc1cc(Nc2ccc(N)cc2C)ccc1F ZINC000061115337 178192387 /nfs/dbraw/zinc/19/23/87/178192387.db2.gz LEEZKWKIEIYUPG-UHFFFAOYSA-N 0 0 230.286 3.768 10 0 BHAERN Cc1cc(Nc2cc(F)ccc2N)ccc1F ZINC000061115579 178192407 /nfs/dbraw/zinc/19/24/07/178192407.db2.gz XJWLBWAYNXIUQX-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN CC(C)C[C@@H](C)Nc1cc(F)c(F)c(F)c1 ZINC000061116145 322858610 /nfs/dbraw/zinc/85/86/10/322858610.db2.gz DZMXUXMSSUZBBU-MRVPVSSYSA-N 0 0 231.261 3.950 10 0 BHAERN CC(C)C[C@H](C)Nc1cc(F)c(F)c(F)c1 ZINC000061116148 322858657 /nfs/dbraw/zinc/85/86/57/322858657.db2.gz DZMXUXMSSUZBBU-QMMMGPOBSA-N 0 0 231.261 3.950 10 0 BHAERN Cc1cc(NC2Cc3ccccc3C2)ccc1F ZINC000061117136 178154905 /nfs/dbraw/zinc/15/49/05/178154905.db2.gz NELOLLIUTJDXCT-UHFFFAOYSA-N 0 0 241.309 3.713 10 0 BHAERN Cc1cc(N[C@@H](C)CC(C)C)ccc1F ZINC000061117559 384752452 /nfs/dbraw/zinc/75/24/52/384752452.db2.gz ZVVKYMRZPRBBTC-NSHDSACASA-N 0 0 209.308 3.981 10 0 BHAERN Cc1cc(N[C@H](C)CC(C)C)ccc1F ZINC000061117563 322858701 /nfs/dbraw/zinc/85/87/01/322858701.db2.gz ZVVKYMRZPRBBTC-LLVKDONJSA-N 0 0 209.308 3.981 10 0 BHAERN Cc1cc(Cl)c2c(F)cc(F)c(F)c2n1 ZINC000061121857 344857583 /nfs/dbraw/zinc/85/75/83/344857583.db2.gz QFNIUGTVZPPSOO-UHFFFAOYSA-N 0 0 231.604 3.614 10 0 BHAERN Cc1cc(Cl)c2c(F)c(F)c(F)cc2n1 ZINC000061121875 344857410 /nfs/dbraw/zinc/85/74/10/344857410.db2.gz WLSXEPUUXIIIMS-UHFFFAOYSA-N 0 0 231.604 3.614 10 0 BHAERN c1cc2cnccc2c(-c2ccc3c(c2)CCN3)c1 ZINC000061123266 183329309 /nfs/dbraw/zinc/32/93/09/183329309.db2.gz BWQKKWKHGJNEQL-UHFFFAOYSA-N 0 0 246.313 3.870 10 0 BHAERN O=Cc1ccc(-c2cccc3cnccc32)cc1 ZINC000061123296 640926845 /nfs/dbraw/zinc/92/68/45/640926845.db2.gz SOVFRBMBVJSXFV-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1cccc(-c2cccc3cnccc32)c1 ZINC000061123300 640926787 /nfs/dbraw/zinc/92/67/87/640926787.db2.gz IEZCZKMVXVFVQY-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1ccccc1-c1cccc2cnccc21 ZINC000061123302 640926840 /nfs/dbraw/zinc/92/68/40/640926840.db2.gz BODHZBAXYSNGJX-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN C[C@@H]1CCC[C@](O)(c2cccc3cnccc32)C1 ZINC000061123315 176151949 /nfs/dbraw/zinc/15/19/49/176151949.db2.gz OFWMJYCWAIEVLY-MLGOLLRUSA-N 0 0 241.334 3.633 10 0 BHAERN C[C@H]1CCC[C@](O)(c2cccc3cnccc32)C1 ZINC000061123316 177143332 /nfs/dbraw/zinc/14/33/32/177143332.db2.gz OFWMJYCWAIEVLY-BLLLJJGKSA-N 0 0 241.334 3.633 10 0 BHAERN C[C@@H]1CCC[C@@](O)(c2cccc3cnccc32)C1 ZINC000061123317 176133929 /nfs/dbraw/zinc/13/39/29/176133929.db2.gz OFWMJYCWAIEVLY-WBMJQRKESA-N 0 0 241.334 3.633 10 0 BHAERN C[C@H]1CCC[C@@](O)(c2cccc3cnccc32)C1 ZINC000061123318 177127446 /nfs/dbraw/zinc/12/74/46/177127446.db2.gz OFWMJYCWAIEVLY-LRDDRELGSA-N 0 0 241.334 3.633 10 0 BHAERN Cc1cccc([C@H](O)c2cccc3cnccc32)c1 ZINC000061123729 179203909 /nfs/dbraw/zinc/20/39/09/179203909.db2.gz VAJDIXUHZMRXJP-KRWDZBQOSA-N 0 0 249.313 3.625 10 0 BHAERN Cc1cccc([C@@H](O)c2cccc3cnccc32)c1 ZINC000061123730 179187927 /nfs/dbraw/zinc/18/79/27/179187927.db2.gz VAJDIXUHZMRXJP-QGZVFWFLSA-N 0 0 249.313 3.625 10 0 BHAERN Oc1cccc(N[C@@H]2CCCc3sccc32)c1 ZINC000061325402 183293397 /nfs/dbraw/zinc/29/33/97/183293397.db2.gz KQGMVHAJPUGSGF-CYBMUJFWSA-N 0 0 245.347 3.943 10 0 BHAERN Oc1cccc(N[C@H]2CCCc3sccc32)c1 ZINC000061325405 183292315 /nfs/dbraw/zinc/29/23/15/183292315.db2.gz KQGMVHAJPUGSGF-ZDUSSCGKSA-N 0 0 245.347 3.943 10 0 BHAERN Oc1ccc(N[C@@H]2CCCc3sccc32)cc1 ZINC000061327750 183276580 /nfs/dbraw/zinc/27/65/80/183276580.db2.gz OFATVZCBWPXMMQ-CYBMUJFWSA-N 0 0 245.347 3.943 10 0 BHAERN Oc1ccc(N[C@H]2CCCc3sccc32)cc1 ZINC000061327753 183276805 /nfs/dbraw/zinc/27/68/05/183276805.db2.gz OFATVZCBWPXMMQ-ZDUSSCGKSA-N 0 0 245.347 3.943 10 0 BHAERN C[C@H](Nc1ccccc1N)c1ccsc1 ZINC000061361125 176936505 /nfs/dbraw/zinc/93/65/05/176936505.db2.gz HBSJATJRRYVGLG-VIFPVBQESA-N 0 0 218.325 3.503 10 0 BHAERN C[C@H](Nc1cccc(N)c1)c1ccsc1 ZINC000061361237 176935719 /nfs/dbraw/zinc/93/57/19/176935719.db2.gz SSMCXONFQLPDIO-VIFPVBQESA-N 0 0 218.325 3.503 10 0 BHAERN C[C@@H](Nc1cccc(F)c1N)c1ccsc1 ZINC000061361350 175932932 /nfs/dbraw/zinc/93/29/32/175932932.db2.gz FOOBQQRWHXSIJV-MRVPVSSYSA-N 0 0 236.315 3.643 10 0 BHAERN C[C@H](Nc1cc(N)cc(F)c1)c1ccsc1 ZINC000061361357 176932388 /nfs/dbraw/zinc/93/23/88/176932388.db2.gz MKYJICBMLACTJN-QMMMGPOBSA-N 0 0 236.315 3.643 10 0 BHAERN C[C@H](Nc1cc(F)ccc1N)c1ccsc1 ZINC000061361377 176932659 /nfs/dbraw/zinc/93/26/59/176932659.db2.gz ZOQHAOUJZAXAFC-QMMMGPOBSA-N 0 0 236.315 3.643 10 0 BHAERN Cc1csc(N[C@@H](C)c2ccsc2)n1 ZINC000061364774 384413621 /nfs/dbraw/zinc/41/36/21/384413621.db2.gz FESKJGHNPOBGRB-QMMMGPOBSA-N 0 0 224.354 3.686 10 0 BHAERN Cc1csc(N[C@H](C)c2ccsc2)n1 ZINC000061364775 384411904 /nfs/dbraw/zinc/41/19/04/384411904.db2.gz FESKJGHNPOBGRB-MRVPVSSYSA-N 0 0 224.354 3.686 10 0 BHAERN Cc1ccc(C(=O)c2ccc3ncccc3c2)cc1 ZINC000061412850 187613603 /nfs/dbraw/zinc/61/36/03/187613603.db2.gz OIJOERXGTTYGSH-UHFFFAOYSA-N 0 0 247.297 3.774 10 0 BHAERN Cc1ccc([C@H](O)c2ccc3ncccc3c2)cc1 ZINC000061416784 178916370 /nfs/dbraw/zinc/91/63/70/178916370.db2.gz QCCCXCKHOFHTSH-KRWDZBQOSA-N 0 0 249.313 3.625 10 0 BHAERN COc1ccc(N[C@@H]2CCCC[C@@H]2C)c(C)c1 ZINC000061565450 175153948 /nfs/dbraw/zinc/15/39/48/175153948.db2.gz NVMYAAFAVKMKQO-SMDDNHRTSA-N 0 0 233.355 3.994 10 0 BHAERN COc1ccc(N[C@H]2CCCC[C@@H]2C)c(C)c1 ZINC000061565452 175155363 /nfs/dbraw/zinc/15/53/63/175155363.db2.gz NVMYAAFAVKMKQO-FZMZJTMJSA-N 0 0 233.355 3.994 10 0 BHAERN COc1ccc(N[C@@H]2CCCC[C@H]2C)c(C)c1 ZINC000061565454 175154073 /nfs/dbraw/zinc/15/40/73/175154073.db2.gz NVMYAAFAVKMKQO-BXUZGUMPSA-N 0 0 233.355 3.994 10 0 BHAERN COc1ccc(N[C@H]2CCCC[C@H]2C)c(C)c1 ZINC000061565456 175155741 /nfs/dbraw/zinc/15/57/41/175155741.db2.gz NVMYAAFAVKMKQO-RISCZKNCSA-N 0 0 233.355 3.994 10 0 BHAERN COc1ccc(NCC2CCCCC2)c(C)c1 ZINC000061565500 175150671 /nfs/dbraw/zinc/15/06/71/175150671.db2.gz YNMNCOMVOGXNCW-UHFFFAOYSA-N 0 0 233.355 3.996 10 0 BHAERN COc1ccc(N[C@@H](C)CC(C)C)c(C)c1 ZINC000061565664 640972138 /nfs/dbraw/zinc/97/21/38/640972138.db2.gz QJYDULVRGBDPDP-LBPRGKRZSA-N 0 0 221.344 3.850 10 0 BHAERN COc1ccc(N[C@H](C)CC(C)C)c(C)c1 ZINC000061565667 640971721 /nfs/dbraw/zinc/97/17/21/640971721.db2.gz QJYDULVRGBDPDP-GFCCVEGCSA-N 0 0 221.344 3.850 10 0 BHAERN COc1ccc(Nc2ccc(C)cc2N)c(C)c1 ZINC000061565992 175156141 /nfs/dbraw/zinc/15/61/41/175156141.db2.gz NDMWSOBSVXVQRK-UHFFFAOYSA-N 0 0 242.322 3.638 10 0 BHAERN Cc1ccc(C(=O)C2(c3ccccc3)CC2)cc1 ZINC000061617660 178371493 /nfs/dbraw/zinc/37/14/93/178371493.db2.gz IDJAUNSLGOOYRB-UHFFFAOYSA-N 0 0 236.314 3.910 10 0 BHAERN O=C(Cc1ccsc1)C1(c2ccccc2)CC1 ZINC000061618122 182058041 /nfs/dbraw/zinc/05/80/41/182058041.db2.gz XQCXWSRIFADIRM-UHFFFAOYSA-N 0 0 242.343 3.592 10 0 BHAERN O[C@H](c1ccc(F)cc1)C1(c2ccccc2)CC1 ZINC000061618418 183228622 /nfs/dbraw/zinc/22/86/22/183228622.db2.gz GHQBMYOSQOCOIS-OAHLLOKOSA-N 0 0 242.293 3.591 10 0 BHAERN O[C@@H](c1ccc(F)cc1)C1(c2ccccc2)CC1 ZINC000061618419 183184804 /nfs/dbraw/zinc/18/48/04/183184804.db2.gz GHQBMYOSQOCOIS-HNNXBMFYSA-N 0 0 242.293 3.591 10 0 BHAERN Cc1ccc([C@@H](O)C2(c3ccccc3)CC2)cc1 ZINC000061618427 178863811 /nfs/dbraw/zinc/86/38/11/178863811.db2.gz VGBGMIBEWBILTE-MRXNPFEDSA-N 0 0 238.330 3.760 10 0 BHAERN CCc1cccc2c(NC)cc(C(F)F)nc12 ZINC000061629588 171867924 /nfs/dbraw/zinc/86/79/24/171867924.db2.gz YCRFLPXMEXYRLD-UHFFFAOYSA-N 0 0 236.265 3.777 10 0 BHAERN Fc1ccc2nc(C(F)F)cc(Cl)c2c1 ZINC000061629983 345761588 /nfs/dbraw/zinc/76/15/88/345761588.db2.gz PAFWROSTYHZMMG-UHFFFAOYSA-N 0 0 231.604 3.965 10 0 BHAERN CC(C)(C)OCc1nc(Cl)ccc1Cl ZINC000061639692 345785920 /nfs/dbraw/zinc/78/59/20/345785920.db2.gz SIGNWASZPHPASR-UHFFFAOYSA-N 0 0 234.126 3.704 10 0 BHAERN CC(C)Oc1cccc(C(=O)c2cccs2)c1 ZINC000061666050 167303903 /nfs/dbraw/zinc/30/39/03/167303903.db2.gz QRJFUNPZIHSZAT-UHFFFAOYSA-N 0 0 246.331 3.766 10 0 BHAERN CC(C)Oc1cccc([C@H](O)C2=CCCC2)c1 ZINC000061667013 167307912 /nfs/dbraw/zinc/30/79/12/167307912.db2.gz GZYLQCZFXGNABS-OAHLLOKOSA-N 0 0 232.323 3.618 10 0 BHAERN CC(C)Oc1cccc([C@@H](O)C2=CCCC2)c1 ZINC000061667015 167308084 /nfs/dbraw/zinc/30/80/84/167308084.db2.gz GZYLQCZFXGNABS-HNNXBMFYSA-N 0 0 232.323 3.618 10 0 BHAERN Cc1ccc(-c2c(N)n[nH]c2C(C)(C)C)cc1C ZINC000061681190 178316782 /nfs/dbraw/zinc/31/67/82/178316782.db2.gz KFWUUSNJNODLIG-UHFFFAOYSA-N 0 0 243.354 3.573 10 0 BHAERN Cc1ccc(-c2c(N)n[nH]c2C2CCC2)cc1C ZINC000061681230 178317686 /nfs/dbraw/zinc/31/76/86/178317686.db2.gz FBBSNLKPVUVWBQ-UHFFFAOYSA-N 0 0 241.338 3.543 10 0 BHAERN CCCCc1noc(N)c1-c1ccc(C)c(C)c1 ZINC000061681351 169030405 /nfs/dbraw/zinc/03/04/05/169030405.db2.gz YLPMLDDJOITWGD-UHFFFAOYSA-N 0 0 244.338 3.883 10 0 BHAERN Cc1ccc(-c2c(N)onc2C2CCC2)cc1C ZINC000061681360 178317843 /nfs/dbraw/zinc/31/78/43/178317843.db2.gz QKDAGOXHGGMCNZ-UHFFFAOYSA-N 0 0 242.322 3.808 10 0 BHAERN Cc1ccc(C[C@H](O)CC2CCCC2)cc1C ZINC000061681521 178652626 /nfs/dbraw/zinc/65/26/26/178652626.db2.gz SYVCNLZPROBGDM-MRXNPFEDSA-N 0 0 232.367 3.787 10 0 BHAERN CC(C)n1cc(N[C@H](C)c2cccs2)cn1 ZINC000061682596 167755105 /nfs/dbraw/zinc/75/51/05/167755105.db2.gz DTNQDTVSYCLWNV-SNVBAGLBSA-N 0 0 235.356 3.699 10 0 BHAERN CC(C)n1cc(N[C@H](C)C2CCCCC2)cn1 ZINC000061683026 167755839 /nfs/dbraw/zinc/75/58/39/167755839.db2.gz NKQAZQJBWGQWRS-GFCCVEGCSA-N 0 0 235.375 3.845 10 0 BHAERN CCNc1nc(C2CCCC2)nc(C)c1C(C)C ZINC000061687467 170176249 /nfs/dbraw/zinc/17/62/49/170176249.db2.gz CISIIYKRPWNZSB-UHFFFAOYSA-N 0 0 247.386 3.998 10 0 BHAERN Cc1ccc(-c2nc(C)c(C(C)C)c(N)n2)s1 ZINC000061687543 178333269 /nfs/dbraw/zinc/33/32/69/178333269.db2.gz UWHBMJSPDCWUQW-UHFFFAOYSA-N 0 0 247.367 3.528 10 0 BHAERN Cc1cc(F)c2nc(C)c(C(C)C)c(N)c2c1 ZINC000061687753 178075733 /nfs/dbraw/zinc/07/57/33/178075733.db2.gz KRHFENRCMXZICU-UHFFFAOYSA-N 0 0 232.302 3.696 10 0 BHAERN Cc1ccc2c([nH]c(C)c(C(C)C)c2=O)c1C ZINC000061688193 178938513 /nfs/dbraw/zinc/93/85/13/178938513.db2.gz YCKHPKHWWIXHQO-UHFFFAOYSA-N 0 0 229.323 3.577 10 0 BHAERN Cc1nc(C(C)C)nc(Cl)c1C(C)C ZINC000061689115 343727770 /nfs/dbraw/zinc/72/77/70/343727770.db2.gz WJVVYCYVJCTEGO-UHFFFAOYSA-N 0 0 212.724 3.685 10 0 BHAERN Cc1nc(-c2ccccn2)nc(Cl)c1C(C)C ZINC000061689122 179867762 /nfs/dbraw/zinc/86/77/62/179867762.db2.gz LBHOTIOTRFXVAE-UHFFFAOYSA-N 0 0 247.729 3.624 10 0 BHAERN CCCc1nc(C)c(C(C)C)c(Cl)n1 ZINC000061689135 345828022 /nfs/dbraw/zinc/82/80/22/345828022.db2.gz NSHNDFDORFWPQQ-UHFFFAOYSA-N 0 0 212.724 3.514 10 0 BHAERN CCCNc1cc(Br)ccc1Cl ZINC000061690823 345827162 /nfs/dbraw/zinc/82/71/62/345827162.db2.gz OMWZAMCQFJDDSU-UHFFFAOYSA-N 0 0 248.551 3.924 10 0 BHAERN COc1ccc(-c2ccc(Cl)c(N)c2)cc1C ZINC000061692283 175032823 /nfs/dbraw/zinc/03/28/23/175032823.db2.gz GGHXROQYMQMFLC-UHFFFAOYSA-N 0 0 247.725 3.906 10 0 BHAERN CC(=O)c1ccc(N2CCCCC2)c(Cl)c1 ZINC000061693610 343727641 /nfs/dbraw/zinc/72/76/41/343727641.db2.gz KSLASAYLTRQIKQ-UHFFFAOYSA-N 0 0 237.730 3.533 10 0 BHAERN CC(=O)c1ccc(Oc2cccnc2)c(Cl)c1 ZINC000061695647 187438862 /nfs/dbraw/zinc/43/88/62/187438862.db2.gz GJBXNAJSKZZNHB-UHFFFAOYSA-N 0 0 247.681 3.730 10 0 BHAERN C[C@H](O)c1ccc(Oc2cccnc2)c(Cl)c1 ZINC000061697707 177017453 /nfs/dbraw/zinc/01/74/53/177017453.db2.gz CWOSWDVMCNZAHZ-VIFPVBQESA-N 0 0 249.697 3.581 10 0 BHAERN C[C@@H](O)c1ccc(Oc2cccnc2)c(Cl)c1 ZINC000061697708 175999024 /nfs/dbraw/zinc/99/90/24/175999024.db2.gz CWOSWDVMCNZAHZ-SECBINFHSA-N 0 0 249.697 3.581 10 0 BHAERN CCN(c1ccccc1)c1ccc(C)c(N)c1 ZINC000061700715 169944050 /nfs/dbraw/zinc/94/40/50/169944050.db2.gz SWCQZTNKHHVWKS-UHFFFAOYSA-N 0 0 226.323 3.735 10 0 BHAERN Cc1ccc(N2c3ccccc3C[C@H]2C)cc1N ZINC000061700735 188128310 /nfs/dbraw/zinc/12/83/10/188128310.db2.gz HOAVDWWUCJBCJE-GFCCVEGCSA-N 0 0 238.334 3.660 10 0 BHAERN CCN(Cc1ccccc1)c1ccc(C)c(N)c1 ZINC000061700925 169917025 /nfs/dbraw/zinc/91/70/25/169917025.db2.gz SGCLRLDNAZYLOZ-UHFFFAOYSA-N 0 0 240.350 3.604 10 0 BHAERN Cc1cc(C)cc(Nc2ccc(C)c(N)c2)c1 ZINC000061701056 177911011 /nfs/dbraw/zinc/91/10/11/177911011.db2.gz WBDYBAFTIKDEJX-UHFFFAOYSA-N 0 0 226.323 3.938 10 0 BHAERN CCC(CC)CN(CC)c1ccc(C)c(N)c1 ZINC000061701360 168350584 /nfs/dbraw/zinc/35/05/84/168350584.db2.gz XBVXALDOWVSVHL-UHFFFAOYSA-N 0 0 234.387 3.840 10 0 BHAERN Cc1ccc(N[C@@H](C)CCc2ccco2)cc1N ZINC000061701725 178769840 /nfs/dbraw/zinc/76/98/40/178769840.db2.gz FNLOHTYIVTYIEX-LBPRGKRZSA-N 0 0 244.338 3.603 10 0 BHAERN Cc1ccc(N(C)c2ccccc2C)cc1N ZINC000061701918 178702058 /nfs/dbraw/zinc/70/20/58/178702058.db2.gz AYECNILCJXAOLI-UHFFFAOYSA-N 0 0 226.323 3.654 10 0 BHAERN Cc1ccc(CNc2ccc(C)c(N)c2)s1 ZINC000061701926 178637909 /nfs/dbraw/zinc/63/79/09/178637909.db2.gz GKEAQHFAYSFYBJ-UHFFFAOYSA-N 0 0 232.352 3.559 10 0 BHAERN Cc1ccc(Sc2cccs2)cc1N ZINC000061702084 345841432 /nfs/dbraw/zinc/84/14/32/345841432.db2.gz MKYZUJCQJWYTNG-UHFFFAOYSA-N 0 0 221.350 3.790 10 0 BHAERN CC(C)CC(=O)c1cccc(OC(F)(F)F)c1 ZINC000061703293 345841572 /nfs/dbraw/zinc/84/15/72/345841572.db2.gz XUAYHOGRHNAIET-UHFFFAOYSA-N 0 0 246.228 3.814 10 0 BHAERN CCCC(=O)c1cccc(OC(F)(F)F)c1 ZINC000061703299 345841661 /nfs/dbraw/zinc/84/16/61/345841661.db2.gz NODMPLLWIADSCH-UHFFFAOYSA-N 0 0 232.201 3.568 10 0 BHAERN CC(C)(C)C(=O)c1cccc(OC(F)(F)F)c1 ZINC000061703301 384671750 /nfs/dbraw/zinc/67/17/50/384671750.db2.gz HROIVXBEMFCBDE-UHFFFAOYSA-N 0 0 246.228 3.814 10 0 BHAERN Clc1nc2c(s1)CCc1ccccc1-2 ZINC000061714188 188128544 /nfs/dbraw/zinc/12/85/44/188128544.db2.gz KQLPCAFBJSDMKO-UHFFFAOYSA-N 0 0 221.712 3.562 10 0 BHAERN Cc1ccccc1-c1csc(Cl)n1 ZINC000061714197 179236194 /nfs/dbraw/zinc/23/61/94/179236194.db2.gz JYMHOTZKFQPZKH-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN Fc1ccc(-c2csc(Cl)n2)cc1F ZINC000061714198 384674736 /nfs/dbraw/zinc/67/47/36/384674736.db2.gz XXUPJOKGMFCGEN-UHFFFAOYSA-N 0 0 231.654 3.742 10 0 BHAERN Fc1ccc(-c2csc(Cl)n2)c(F)c1 ZINC000061714199 345844787 /nfs/dbraw/zinc/84/47/87/345844787.db2.gz RVPIKCFZMHMRNG-UHFFFAOYSA-N 0 0 231.654 3.742 10 0 BHAERN CCOc1ccccc1-c1csc(Cl)n1 ZINC000061714215 345844868 /nfs/dbraw/zinc/84/48/68/345844868.db2.gz DTKSQGQHGNJXAU-UHFFFAOYSA-N 0 0 239.727 3.862 10 0 BHAERN Fc1cccc(-c2csc(Cl)n2)c1 ZINC000061714243 180993406 /nfs/dbraw/zinc/99/34/06/180993406.db2.gz WFLYACWUEHKFEL-UHFFFAOYSA-N 0 0 213.664 3.603 10 0 BHAERN Cc1cc(-c2csc(Cl)n2)c(C)o1 ZINC000061714245 345845659 /nfs/dbraw/zinc/84/56/59/345845659.db2.gz RBOAPTZRAYZHFK-UHFFFAOYSA-N 0 0 213.689 3.673 10 0 BHAERN Clc1nc(C2CCCCC2)cs1 ZINC000061714249 387152094 /nfs/dbraw/zinc/15/20/94/387152094.db2.gz YMTJWPRSJRWRSR-UHFFFAOYSA-N 0 0 201.722 3.844 10 0 BHAERN Clc1nc(-c2ccsc2)cs1 ZINC000061714252 384675078 /nfs/dbraw/zinc/67/50/78/384675078.db2.gz UYGVZQBWXKTROB-UHFFFAOYSA-N 0 0 201.703 3.525 10 0 BHAERN CC(C)[C@@H]1CCc2nc(Cl)sc2C1 ZINC000061714253 345845829 /nfs/dbraw/zinc/84/58/29/345845829.db2.gz OYCPRQMVMDIJSI-SSDOTTSWSA-N 0 0 215.749 3.557 10 0 BHAERN CC(C)[C@H]1CCc2nc(Cl)sc2C1 ZINC000061714254 345845623 /nfs/dbraw/zinc/84/56/23/345845623.db2.gz OYCPRQMVMDIJSI-ZETCQYMHSA-N 0 0 215.749 3.557 10 0 BHAERN Clc1nc2c(s1)CCc1sccc1-2 ZINC000061714258 345845472 /nfs/dbraw/zinc/84/54/72/345845472.db2.gz ZDJLZVYXQDPJNP-UHFFFAOYSA-N 0 0 227.741 3.624 10 0 BHAERN Cc1sc(Cl)nc1-c1cccs1 ZINC000061714260 345845584 /nfs/dbraw/zinc/84/55/84/345845584.db2.gz LWASBVDJJOOHSX-UHFFFAOYSA-N 0 0 215.730 3.833 10 0 BHAERN Cc1cccc(-c2csc(Cl)n2)c1 ZINC000061714261 178994147 /nfs/dbraw/zinc/99/41/47/178994147.db2.gz JSYLYBPVUCHKBZ-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN CCCOc1ccc(-c2csc(NC)n2)cc1 ZINC000061714286 169316646 /nfs/dbraw/zinc/31/66/46/169316646.db2.gz AIITXKYIQBSITM-UHFFFAOYSA-N 0 0 248.351 3.641 10 0 BHAERN CCNc1nc(-c2cccs2)c(C)s1 ZINC000061714397 170175384 /nfs/dbraw/zinc/17/53/84/170175384.db2.gz VZNVAPMCBABXBD-UHFFFAOYSA-N 0 0 224.354 3.612 10 0 BHAERN CCCNc1ncc(-c2ccccc2)s1 ZINC000061714414 169296891 /nfs/dbraw/zinc/29/68/91/169296891.db2.gz RWTXYCFJBGJWGX-UHFFFAOYSA-N 0 0 218.325 3.632 10 0 BHAERN CCCNc1nc(-c2ccc(C)o2)cs1 ZINC000061714432 169295899 /nfs/dbraw/zinc/29/58/99/169295899.db2.gz PKYDPTVULCEWNP-UHFFFAOYSA-N 0 0 222.313 3.533 10 0 BHAERN CCCNc1nc(-c2cc(C)oc2C)cs1 ZINC000061714440 169295766 /nfs/dbraw/zinc/29/57/66/169295766.db2.gz XZQMZSATQDTUHK-UHFFFAOYSA-N 0 0 236.340 3.842 10 0 BHAERN CCCNc1nc(-c2ccsc2)cs1 ZINC000061714447 169295692 /nfs/dbraw/zinc/29/56/92/169295692.db2.gz USBOBGFREVYUES-UHFFFAOYSA-N 0 0 224.354 3.694 10 0 BHAERN CC(C)Nc1ncc(-c2ccccc2)s1 ZINC000061714469 167149119 /nfs/dbraw/zinc/14/91/19/167149119.db2.gz IDHNNCGCIOPORR-UHFFFAOYSA-N 0 0 218.325 3.630 10 0 BHAERN Cc1ccc(-c2csc(NC(C)C)n2)o1 ZINC000061714491 178330099 /nfs/dbraw/zinc/33/00/99/178330099.db2.gz YPBPRANSJQGPCS-UHFFFAOYSA-N 0 0 222.313 3.532 10 0 BHAERN CC(C)Nc1nc(-c2ccsc2)cs1 ZINC000061714505 167148746 /nfs/dbraw/zinc/14/87/46/167148746.db2.gz RGIQLFHKAPTKPI-UHFFFAOYSA-N 0 0 224.354 3.692 10 0 BHAERN Cc1ccc(-c2csc(NC(C)(C)C)n2)o1 ZINC000061714617 178330544 /nfs/dbraw/zinc/33/05/44/178330544.db2.gz IQAISOVWPSCIPT-UHFFFAOYSA-N 0 0 236.340 3.922 10 0 BHAERN CC(C)(C)Nc1nc(C(C)(C)C)cs1 ZINC000061714629 345845666 /nfs/dbraw/zinc/84/56/66/345845666.db2.gz WJANXCGMQYELRX-UHFFFAOYSA-N 0 0 212.362 3.651 10 0 BHAERN Cc1ccc(-c2csc(NCC(C)C)n2)o1 ZINC000061714668 178330363 /nfs/dbraw/zinc/33/03/63/178330363.db2.gz HENWKZUZFMVSSQ-UHFFFAOYSA-N 0 0 236.340 3.779 10 0 BHAERN Cc1sc(C=O)nc1-c1cccc(Cl)c1 ZINC000061798300 345949553 /nfs/dbraw/zinc/94/95/53/345949553.db2.gz LDSREHWUBZJWHT-UHFFFAOYSA-N 0 0 237.711 3.584 10 0 BHAERN Cc1sc(C=O)nc1-c1ccc(Cl)cc1 ZINC000061799139 345949636 /nfs/dbraw/zinc/94/96/36/345949636.db2.gz IPNAVHCLZMOWKX-UHFFFAOYSA-N 0 0 237.711 3.584 10 0 BHAERN CC(=O)[C@@H](CCCOc1ccccc1)C(C)C ZINC000061816095 188302681 /nfs/dbraw/zinc/30/26/81/188302681.db2.gz VHZQKQBKDIZDNC-HNNXBMFYSA-N 0 0 234.339 3.707 10 0 BHAERN Nc1ccccc1N1CCC2(CCCCC2)CC1 ZINC000061819154 132387197 /nfs/dbraw/zinc/38/71/97/132387197.db2.gz JGQRNHZTEDHBBE-UHFFFAOYSA-N 0 0 244.382 3.820 10 0 BHAERN CC(=O)c1ccc(N2CCC(C)(C)CC2)c(F)c1 ZINC000061820356 132387142 /nfs/dbraw/zinc/38/71/42/132387142.db2.gz SASWQIVMIBIRKK-UHFFFAOYSA-N 0 0 249.329 3.655 10 0 BHAERN CC(=O)c1ccccc1N1CCC(C)(C)CC1 ZINC000061820360 534916250 /nfs/dbraw/zinc/91/62/50/534916250.db2.gz PYUYVGOGLGWBSD-UHFFFAOYSA-N 0 0 231.339 3.516 10 0 BHAERN CC1(C)CCc2ccc(Cl)cc2C(=O)C1 ZINC000061825847 343729584 /nfs/dbraw/zinc/72/95/84/343729584.db2.gz DEMAXURJEAOWDU-UHFFFAOYSA-N 0 0 222.715 3.885 10 0 BHAERN Cc1ccc2c(c1)C(=O)CC(C)(C)CC2 ZINC000061825856 345957394 /nfs/dbraw/zinc/95/73/94/345957394.db2.gz XVMUPGVUPGIXQP-UHFFFAOYSA-N 0 0 202.297 3.540 10 0 BHAERN CCOc1ccc(C)c2c1CCC(C)(C)C[C@H]2O ZINC000061826047 170540103 /nfs/dbraw/zinc/54/01/03/170540103.db2.gz AZFPXSDJJYOOKC-CYBMUJFWSA-N 0 0 248.366 3.790 10 0 BHAERN CCOc1ccc(C)c2c1CC[C@H](C)CC2=O ZINC000061831291 170540121 /nfs/dbraw/zinc/54/01/21/170540121.db2.gz LOCTWXMWDYAUST-JTQLQIEISA-N 0 0 232.323 3.549 10 0 BHAERN CCOc1ccc(C)c2c1CC[C@@H](C)CC2=O ZINC000061831292 170539708 /nfs/dbraw/zinc/53/97/08/170539708.db2.gz LOCTWXMWDYAUST-SNVBAGLBSA-N 0 0 232.323 3.549 10 0 BHAERN C[C@@H]1CCC[C@](O)(c2ccc(F)c(F)c2F)C1 ZINC000061837748 176152530 /nfs/dbraw/zinc/15/25/30/176152530.db2.gz NZNDFITVVRRJCU-AMIZOPFISA-N 0 0 244.256 3.502 10 0 BHAERN C[C@H]1CCC[C@](O)(c2ccc(F)c(F)c2F)C1 ZINC000061837749 177143892 /nfs/dbraw/zinc/14/38/92/177143892.db2.gz NZNDFITVVRRJCU-ISVAXAHUSA-N 0 0 244.256 3.502 10 0 BHAERN C[C@@H]1CCC[C@@](O)(c2ccc(F)c(F)c2F)C1 ZINC000061837750 176134242 /nfs/dbraw/zinc/13/42/42/176134242.db2.gz NZNDFITVVRRJCU-OQPBUACISA-N 0 0 244.256 3.502 10 0 BHAERN C[C@H]1CCC[C@@](O)(c2ccc(F)c(F)c2F)C1 ZINC000061837751 177127512 /nfs/dbraw/zinc/12/75/12/177127512.db2.gz NZNDFITVVRRJCU-SDBXPKJASA-N 0 0 244.256 3.502 10 0 BHAERN C[C@@H]1CCCC[C@]1(O)c1ccc(F)c(F)c1F ZINC000061837779 176090950 /nfs/dbraw/zinc/09/09/50/176090950.db2.gz WQXLGTVOBRCXOB-AMIZOPFISA-N 0 0 244.256 3.502 10 0 BHAERN C[C@H]1CCCC[C@]1(O)c1ccc(F)c(F)c1F ZINC000061837780 177091135 /nfs/dbraw/zinc/09/11/35/177091135.db2.gz WQXLGTVOBRCXOB-ISVAXAHUSA-N 0 0 244.256 3.502 10 0 BHAERN C[C@@H]1CCCC[C@@]1(O)c1ccc(F)c(F)c1F ZINC000061837781 176083259 /nfs/dbraw/zinc/08/32/59/176083259.db2.gz WQXLGTVOBRCXOB-OQPBUACISA-N 0 0 244.256 3.502 10 0 BHAERN C[C@H]1CCCC[C@@]1(O)c1ccc(F)c(F)c1F ZINC000061837782 177085305 /nfs/dbraw/zinc/08/53/05/177085305.db2.gz WQXLGTVOBRCXOB-SDBXPKJASA-N 0 0 244.256 3.502 10 0 BHAERN Cc1cc(N(C)C)ccc1NCCC(C)(C)C ZINC000061839193 178095427 /nfs/dbraw/zinc/09/54/27/178095427.db2.gz UWUCVRJUEDBKMG-UHFFFAOYSA-N 0 0 234.387 3.909 10 0 BHAERN CC(C)(C)CCNc1cccnc1Cl ZINC000061839252 166573233 /nfs/dbraw/zinc/57/32/33/166573233.db2.gz FPDRIKLHJBKNIO-UHFFFAOYSA-N 0 0 212.724 3.583 10 0 BHAERN CCCCC(=O)c1ccc(F)cc1Cl ZINC000061845425 350530377 /nfs/dbraw/zinc/53/03/77/350530377.db2.gz LPQHCZBHTCHPCS-UHFFFAOYSA-N 0 0 214.667 3.852 10 0 BHAERN CCc1ccc([C@H](C)Nc2nccc(C)n2)cc1 ZINC000061859097 386494035 /nfs/dbraw/zinc/49/40/35/386494035.db2.gz KUNJKBVEJBNSPV-LBPRGKRZSA-N 0 0 241.338 3.521 10 0 BHAERN Cc1ccnc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000061859129 179453956 /nfs/dbraw/zinc/45/39/56/179453956.db2.gz NDMWHSQNHYYWST-JTQLQIEISA-N 0 0 247.729 3.612 10 0 BHAERN Cc1ccnc(N[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000061859292 386493823 /nfs/dbraw/zinc/49/38/23/386493823.db2.gz ZUDBSHFCWOENFO-JTQLQIEISA-N 0 0 247.729 3.612 10 0 BHAERN Cc1ccnc(N[C@H](C)c2ccc(Cl)cc2)n1 ZINC000061859293 179459328 /nfs/dbraw/zinc/45/93/28/179459328.db2.gz ZUDBSHFCWOENFO-SNVBAGLBSA-N 0 0 247.729 3.612 10 0 BHAERN CCc1oc2ccccc2c1[C@H](N)C(F)(F)F ZINC000061876923 172113065 /nfs/dbraw/zinc/11/30/65/172113065.db2.gz XSGLENRKDDNARM-NSHDSACASA-N 0 0 243.228 3.557 10 0 BHAERN CCc1oc2ccccc2c1[C@@H](N)C(F)(F)F ZINC000061876924 172112986 /nfs/dbraw/zinc/11/29/86/172112986.db2.gz XSGLENRKDDNARM-LLVKDONJSA-N 0 0 243.228 3.557 10 0 BHAERN CC(C)CNc1ncc(C(C)(C)C)s1 ZINC000061877237 346172576 /nfs/dbraw/zinc/17/25/76/346172576.db2.gz GUEIHEJHWMWFMZ-UHFFFAOYSA-N 0 0 212.362 3.509 10 0 BHAERN CCCn1ccnc1CNc1ccc(C)cc1C ZINC000061877246 188486591 /nfs/dbraw/zinc/48/65/91/188486591.db2.gz AYGDMACHEMPTJR-UHFFFAOYSA-N 0 0 243.354 3.522 10 0 BHAERN CCCn1ccnc1CNc1cccc(Cl)c1 ZINC000061877336 188302787 /nfs/dbraw/zinc/30/27/87/188302787.db2.gz UUEROUHOQDMJAU-UHFFFAOYSA-N 0 0 249.745 3.559 10 0 BHAERN CCCn1ccnc1CNc1cccc(C)c1C ZINC000061877375 188302089 /nfs/dbraw/zinc/30/20/89/188302089.db2.gz YIXWERPSQJWDGT-UHFFFAOYSA-N 0 0 243.354 3.522 10 0 BHAERN CCc1csc(N[C@@H](C)c2cccs2)n1 ZINC000061894416 322859550 /nfs/dbraw/zinc/85/95/50/322859550.db2.gz UPZKNUHLRYDXMS-QMMMGPOBSA-N 0 0 238.381 3.940 10 0 BHAERN CCc1csc(N[C@H](C)c2cccs2)n1 ZINC000061894417 384759759 /nfs/dbraw/zinc/75/97/59/384759759.db2.gz UPZKNUHLRYDXMS-MRVPVSSYSA-N 0 0 238.381 3.940 10 0 BHAERN CCc1csc(N[C@@H](C)c2ccc(C)o2)n1 ZINC000061894522 641006983 /nfs/dbraw/zinc/00/69/83/641006983.db2.gz PELSAQKCSFBNLA-VIFPVBQESA-N 0 0 236.340 3.780 10 0 BHAERN CCc1csc(N[C@H](C)c2ccc(C)o2)n1 ZINC000061894523 641006482 /nfs/dbraw/zinc/00/64/82/641006482.db2.gz PELSAQKCSFBNLA-SECBINFHSA-N 0 0 236.340 3.780 10 0 BHAERN CCc1csc(N[C@@H](CC)C(C)C)n1 ZINC000061894585 322859629 /nfs/dbraw/zinc/85/96/29/322859629.db2.gz BZVBAKIWEYLFJW-JTQLQIEISA-N 0 0 212.362 3.552 10 0 BHAERN CCc1csc(N[C@H](CC)C(C)C)n1 ZINC000061894586 322859384 /nfs/dbraw/zinc/85/93/84/322859384.db2.gz BZVBAKIWEYLFJW-SNVBAGLBSA-N 0 0 212.362 3.552 10 0 BHAERN CCc1csc(N[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000061894671 171933728 /nfs/dbraw/zinc/93/37/28/171933728.db2.gz GBEYEJKYQUTRDK-OLZOCXBDSA-N 0 0 244.363 3.674 10 0 BHAERN CCc1csc(N[C@H]2C[C@H]2c2ccccc2)n1 ZINC000061894673 171933878 /nfs/dbraw/zinc/93/38/78/171933878.db2.gz GBEYEJKYQUTRDK-STQMWFEESA-N 0 0 244.363 3.674 10 0 BHAERN C[C@H](CCNc1ccccc1N)c1ccccc1 ZINC000061910159 176630594 /nfs/dbraw/zinc/63/05/94/176630594.db2.gz ZJDDFAPPPBGOFE-CYBMUJFWSA-N 0 0 240.350 3.875 10 0 BHAERN C[C@@H](c1ccccc1F)N(C)c1ccccc1N ZINC000062014093 176024811 /nfs/dbraw/zinc/02/48/11/176024811.db2.gz IUSFKKZMAMZCJA-NSHDSACASA-N 0 0 244.313 3.605 10 0 BHAERN C[C@H](c1ccccc1F)N(C)c1ccccc1N ZINC000062014094 177041361 /nfs/dbraw/zinc/04/13/61/177041361.db2.gz IUSFKKZMAMZCJA-LLVKDONJSA-N 0 0 244.313 3.605 10 0 BHAERN C[C@@H](c1ccccc1F)N(C)c1cccc(N)c1 ZINC000062014131 176024731 /nfs/dbraw/zinc/02/47/31/176024731.db2.gz KWQJTKCCPLRPMM-NSHDSACASA-N 0 0 244.313 3.605 10 0 BHAERN C[C@H](c1ccccc1F)N(C)c1cccc(N)c1 ZINC000062014132 177041991 /nfs/dbraw/zinc/04/19/91/177041991.db2.gz KWQJTKCCPLRPMM-LLVKDONJSA-N 0 0 244.313 3.605 10 0 BHAERN Cc1cccnc1N[C@@H](C)Cc1ccc(F)cc1 ZINC000062054706 179395824 /nfs/dbraw/zinc/39/58/24/179395824.db2.gz VZABKIGWIHXBIL-LBPRGKRZSA-N 0 0 244.313 3.572 10 0 BHAERN Cc1cccnc1N[C@H](C)Cc1ccc(F)cc1 ZINC000062054707 179396314 /nfs/dbraw/zinc/39/63/14/179396314.db2.gz VZABKIGWIHXBIL-GFCCVEGCSA-N 0 0 244.313 3.572 10 0 BHAERN CCC[C@H](O)Cc1ccc2ccccc2c1 ZINC000062137143 346206036 /nfs/dbraw/zinc/20/60/36/346206036.db2.gz LXXXJBDHYUSFLF-HNNXBMFYSA-N 0 0 214.308 3.543 10 0 BHAERN CCC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000062137144 346205940 /nfs/dbraw/zinc/20/59/40/346205940.db2.gz LXXXJBDHYUSFLF-OAHLLOKOSA-N 0 0 214.308 3.543 10 0 BHAERN O[C@@H](Cc1ccc2ccccc2c1)c1ccco1 ZINC000062137199 183183906 /nfs/dbraw/zinc/18/39/06/183183906.db2.gz LQBBDLKWGKOKLT-HNNXBMFYSA-N 0 0 238.286 3.709 10 0 BHAERN O[C@H](Cc1ccc2ccccc2c1)c1ccco1 ZINC000062137200 183227638 /nfs/dbraw/zinc/22/76/38/183227638.db2.gz LQBBDLKWGKOKLT-OAHLLOKOSA-N 0 0 238.286 3.709 10 0 BHAERN O[C@@H](Cc1ccc2ccccc2c1)c1cccnc1 ZINC000062137215 183183889 /nfs/dbraw/zinc/18/38/89/183183889.db2.gz DXKQOPWGLLFNJP-KRWDZBQOSA-N 0 0 249.313 3.511 10 0 BHAERN O[C@H](Cc1ccc2ccccc2c1)c1cccnc1 ZINC000062137216 183227892 /nfs/dbraw/zinc/22/78/92/183227892.db2.gz DXKQOPWGLLFNJP-QGZVFWFLSA-N 0 0 249.313 3.511 10 0 BHAERN O[C@@H](Cc1ccc2ccccc2c1)CC1CC1 ZINC000062137227 183183887 /nfs/dbraw/zinc/18/38/87/183183887.db2.gz JTGNKAQRCDHHAL-MRXNPFEDSA-N 0 0 226.319 3.543 10 0 BHAERN O[C@H](Cc1ccc2ccccc2c1)CC1CC1 ZINC000062137228 183227227 /nfs/dbraw/zinc/22/72/27/183227227.db2.gz JTGNKAQRCDHHAL-INIZCTEOSA-N 0 0 226.319 3.543 10 0 BHAERN O[C@H](Cc1ccsc1)c1ccc(Cl)s1 ZINC000062137351 346206230 /nfs/dbraw/zinc/20/62/30/346206230.db2.gz LBZICDUIKGITPK-MRVPVSSYSA-N 0 0 244.768 3.739 10 0 BHAERN O[C@@H](Cc1ccsc1)c1ccc(Cl)s1 ZINC000062137352 346206753 /nfs/dbraw/zinc/20/67/53/346206753.db2.gz LBZICDUIKGITPK-QMMMGPOBSA-N 0 0 244.768 3.739 10 0 BHAERN O[C@@H](CCCc1ccccc1)Cc1ccsc1 ZINC000062137545 183173102 /nfs/dbraw/zinc/17/31/02/183173102.db2.gz KDWLGJRUDPJSPO-HNNXBMFYSA-N 0 0 246.375 3.674 10 0 BHAERN O[C@H](CCCc1ccccc1)Cc1ccsc1 ZINC000062137546 183218950 /nfs/dbraw/zinc/21/89/50/183218950.db2.gz KDWLGJRUDPJSPO-OAHLLOKOSA-N 0 0 246.375 3.674 10 0 BHAERN CCCC[C@H](O)Cc1cccc2ccccc21 ZINC000062138207 169013373 /nfs/dbraw/zinc/01/33/73/169013373.db2.gz AKOSMMLXZULMTD-HNNXBMFYSA-N 0 0 228.335 3.933 10 0 BHAERN Cc1ccccc1C[C@H](O)C1CCCCCC1 ZINC000062141923 179292288 /nfs/dbraw/zinc/29/22/88/179292288.db2.gz ZVYIXHGBKCNJLX-INIZCTEOSA-N 0 0 232.367 3.869 10 0 BHAERN Cc1ccccc1C[C@@H](O)C1CCCCCC1 ZINC000062141925 179290155 /nfs/dbraw/zinc/29/01/55/179290155.db2.gz ZVYIXHGBKCNJLX-MRXNPFEDSA-N 0 0 232.367 3.869 10 0 BHAERN Cc1ccccc1C[C@H](O)CCC1CCCC1 ZINC000062141957 179292077 /nfs/dbraw/zinc/29/20/77/179292077.db2.gz PTZDOJVWSYGYDR-MRXNPFEDSA-N 0 0 232.367 3.869 10 0 BHAERN Cc1ccccc1C[C@@H](O)CCC1CCCC1 ZINC000062141958 179289806 /nfs/dbraw/zinc/28/98/06/179289806.db2.gz PTZDOJVWSYGYDR-INIZCTEOSA-N 0 0 232.367 3.869 10 0 BHAERN Cc1ccc(CC[C@H](O)Cc2ccccc2)cc1 ZINC000062142468 178537453 /nfs/dbraw/zinc/53/74/53/178537453.db2.gz SQSUUAFTZRXRIT-KRWDZBQOSA-N 0 0 240.346 3.531 10 0 BHAERN O[C@H](CCCc1cccs1)Cc1ccccc1 ZINC000062142655 183218907 /nfs/dbraw/zinc/21/89/07/183218907.db2.gz YQADXVXLPURFCB-CQSZACIVSA-N 0 0 246.375 3.674 10 0 BHAERN O[C@@H](CCCc1cccs1)Cc1ccccc1 ZINC000062142656 183172938 /nfs/dbraw/zinc/17/29/38/183172938.db2.gz YQADXVXLPURFCB-AWEZNQCLSA-N 0 0 246.375 3.674 10 0 BHAERN CCCC[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000062142762 169013311 /nfs/dbraw/zinc/01/33/11/169013311.db2.gz BCFQDCDRHZSCPY-LBPRGKRZSA-N 0 0 246.272 3.799 10 0 BHAERN CCCC[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000062142763 168975580 /nfs/dbraw/zinc/97/55/80/168975580.db2.gz BCFQDCDRHZSCPY-GFCCVEGCSA-N 0 0 246.272 3.799 10 0 BHAERN Cc1ccc(C)c(C[C@@H](O)c2ccccc2F)c1 ZINC000062142944 178476697 /nfs/dbraw/zinc/47/66/97/178476697.db2.gz SEUHLWHGGIIDHM-MRXNPFEDSA-N 0 0 244.309 3.719 10 0 BHAERN Cc1cccc(C[C@H](O)C2CCCCCC2)c1 ZINC000062143390 179105685 /nfs/dbraw/zinc/10/56/85/179105685.db2.gz OPIBWRGUJMYSFE-INIZCTEOSA-N 0 0 232.367 3.869 10 0 BHAERN Cc1cccc(C[C@@H](O)C2CCCCCC2)c1 ZINC000062143392 179104790 /nfs/dbraw/zinc/10/47/90/179104790.db2.gz OPIBWRGUJMYSFE-MRXNPFEDSA-N 0 0 232.367 3.869 10 0 BHAERN Cc1cccc(C[C@H](O)CCC2CCCC2)c1 ZINC000062143421 179105422 /nfs/dbraw/zinc/10/54/22/179105422.db2.gz POYDCWNIBHDHPT-MRXNPFEDSA-N 0 0 232.367 3.869 10 0 BHAERN Cc1cccc(C[C@@H](O)CCC2CCCC2)c1 ZINC000062143423 179104475 /nfs/dbraw/zinc/10/44/75/179104475.db2.gz POYDCWNIBHDHPT-INIZCTEOSA-N 0 0 232.367 3.869 10 0 BHAERN Cc1cc(Cl)cc2nc(Cl)c(Cl)nc12 ZINC000062152708 178064756 /nfs/dbraw/zinc/06/47/56/178064756.db2.gz OPGMBWTXOWDJCH-UHFFFAOYSA-N 0 0 247.512 3.898 10 0 BHAERN Cc1cc2nc(Cl)c(Cl)nc2cc1Cl ZINC000062152709 178301639 /nfs/dbraw/zinc/30/16/39/178301639.db2.gz SNPABQDTALVVBG-UHFFFAOYSA-N 0 0 247.512 3.898 10 0 BHAERN C[C@H](O)CCc1cccc(Oc2ccccc2)c1 ZINC000062153395 176967176 /nfs/dbraw/zinc/96/71/76/176967176.db2.gz DSTDIVYKKOUFFT-ZDUSSCGKSA-N 0 0 242.318 3.792 10 0 BHAERN CCOc1ccccc1CCC(=O)C(C)(C)C ZINC000062164680 170590653 /nfs/dbraw/zinc/59/06/53/170590653.db2.gz ONHDDEQBDHOXHE-UHFFFAOYSA-N 0 0 234.339 3.633 10 0 BHAERN CCOc1ccc(CCC(=O)C(C)(C)C)cc1 ZINC000062164683 170541713 /nfs/dbraw/zinc/54/17/13/170541713.db2.gz SALJNMJNCROSFC-UHFFFAOYSA-N 0 0 234.339 3.633 10 0 BHAERN Cc1cccc(CC[C@H](O)c2cccs2)c1 ZINC000062167423 179062134 /nfs/dbraw/zinc/06/21/34/179062134.db2.gz DVHIATKGKGZMDK-ZDUSSCGKSA-N 0 0 232.348 3.723 10 0 BHAERN Cc1cccc(CC[C@@H](O)c2cccs2)c1 ZINC000062167426 179062002 /nfs/dbraw/zinc/06/20/02/179062002.db2.gz DVHIATKGKGZMDK-CYBMUJFWSA-N 0 0 232.348 3.723 10 0 BHAERN Cc1nc(Cl)sc1-c1ccccc1 ZINC000062182350 346214992 /nfs/dbraw/zinc/21/49/92/346214992.db2.gz PXCVAIXEFIEETH-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN CCCN(CCC)c1nc2ccc(N)cc2s1 ZINC000062183829 169153918 /nfs/dbraw/zinc/15/39/18/169153918.db2.gz QBUVLZHSAZMBIJ-UHFFFAOYSA-N 0 0 249.383 3.505 10 0 BHAERN CCCCN(CC)c1nc2ccc(N)cc2s1 ZINC000062183849 168803375 /nfs/dbraw/zinc/80/33/75/168803375.db2.gz JJKQYXWHKDHUBB-UHFFFAOYSA-N 0 0 249.383 3.505 10 0 BHAERN Cc1cc(N[C@@H](C)Cc2ccccc2)ccc1N ZINC000062185326 178178855 /nfs/dbraw/zinc/17/88/55/178178855.db2.gz NFOHEIYMBKFQKQ-ZDUSSCGKSA-N 0 0 240.350 3.620 10 0 BHAERN Cc1cc(N[C@H](C)Cc2ccccc2)ccc1N ZINC000062185328 178186446 /nfs/dbraw/zinc/18/64/46/178186446.db2.gz NFOHEIYMBKFQKQ-CYBMUJFWSA-N 0 0 240.350 3.620 10 0 BHAERN CC[C@@H](C)c1ccc(C(=O)[C@H]2CCCOC2)cc1 ZINC000062194968 170803180 /nfs/dbraw/zinc/80/31/80/170803180.db2.gz XLUDDJMFNYEQED-DOMZBBRYSA-N 0 0 246.350 3.809 10 0 BHAERN Cc1ccc(-c2nc3ccc(O)cc3s2)cc1 ZINC000062200082 178337250 /nfs/dbraw/zinc/33/72/50/178337250.db2.gz BDYBDKIBLZTCDW-UHFFFAOYSA-N 0 0 241.315 3.977 10 0 BHAERN CC(C)Oc1ccc2nc(Cl)sc2c1 ZINC000062202926 167304636 /nfs/dbraw/zinc/30/46/36/167304636.db2.gz VDXJKIZWLVTCGY-UHFFFAOYSA-N 0 0 227.716 3.737 10 0 BHAERN CCCOc1ccc2nc(Cl)sc2c1 ZINC000062202927 169324260 /nfs/dbraw/zinc/32/42/60/169324260.db2.gz VGQWABQQTMHHND-UHFFFAOYSA-N 0 0 227.716 3.739 10 0 BHAERN CC(C)Oc1ccc(-c2ccc(=S)[nH]n2)cc1 ZINC000062202933 167288905 /nfs/dbraw/zinc/28/89/05/167288905.db2.gz GZZGTFYLLFFVPB-UHFFFAOYSA-N 0 0 246.335 3.593 10 0 BHAERN CCCOc1ccc(-c2ccc(=S)[nH]n2)cc1 ZINC000062202934 169316422 /nfs/dbraw/zinc/31/64/22/169316422.db2.gz AXUQOWDLRRAQMB-UHFFFAOYSA-N 0 0 246.335 3.595 10 0 BHAERN Cc1ccc(-c2cc(C)[nH]c(=S)n2)c(C)c1 ZINC000062202960 178318972 /nfs/dbraw/zinc/31/89/72/178318972.db2.gz ARFMTNOELXQDAK-UHFFFAOYSA-N 0 0 230.336 3.731 10 0 BHAERN CC[C@@H](C)c1ccc([C@@H](O)[C@@H]2CCCOC2)cc1 ZINC000062239258 170804876 /nfs/dbraw/zinc/80/48/76/170804876.db2.gz ZAMVDGDGNWGRGP-DAXOMENPSA-N 0 0 248.366 3.660 10 0 BHAERN Nc1cc(-c2ccc3c(c2)COC3)ccc1Cl ZINC000062334285 188128821 /nfs/dbraw/zinc/12/88/21/188128821.db2.gz PPOUVSHUXIHZNM-UHFFFAOYSA-N 0 0 245.709 3.619 10 0 BHAERN CCCC[C@H](CC)[C@H](O)c1ccc2c(c1)COC2 ZINC000062334914 169001689 /nfs/dbraw/zinc/00/16/89/169001689.db2.gz GSFACYWQDQUGQZ-LRDDRELGSA-N 0 0 248.366 3.967 10 0 BHAERN CCCC[C@@H](CC)[C@@H](O)c1ccc2c(c1)COC2 ZINC000062334915 168960925 /nfs/dbraw/zinc/96/09/25/168960925.db2.gz GSFACYWQDQUGQZ-MLGOLLRUSA-N 0 0 248.366 3.967 10 0 BHAERN CCCC[C@H](CC)[C@@H](O)c1ccc2c(c1)COC2 ZINC000062334916 169000893 /nfs/dbraw/zinc/00/08/93/169000893.db2.gz GSFACYWQDQUGQZ-BLLLJJGKSA-N 0 0 248.366 3.967 10 0 BHAERN O[C@@H](c1ccc2c(c1)COC2)C1CCCCCC1 ZINC000062335012 183186172 /nfs/dbraw/zinc/18/61/72/183186172.db2.gz VYDLKWXKMGKVKW-MRXNPFEDSA-N 0 0 246.350 3.721 10 0 BHAERN O[C@H](c1ccc2c(c1)COC2)C1CCCCCC1 ZINC000062335013 183229285 /nfs/dbraw/zinc/22/92/85/183229285.db2.gz VYDLKWXKMGKVKW-INIZCTEOSA-N 0 0 246.350 3.721 10 0 BHAERN Cc1cc(Cl)ncc1N(C)Cc1ccccc1 ZINC000062465869 178072881 /nfs/dbraw/zinc/07/28/81/178072881.db2.gz WKVIROKKQMBMBN-UHFFFAOYSA-N 0 0 246.741 3.680 10 0 BHAERN Cc1cc(Cl)cc2nc(C3CC3)oc21 ZINC000062524968 178065072 /nfs/dbraw/zinc/06/50/72/178065072.db2.gz VANOFKWCBQZORO-UHFFFAOYSA-N 0 0 207.660 3.667 10 0 BHAERN Cc1cc2nc(C3CC3)oc2cc1Cl ZINC000062524972 178302141 /nfs/dbraw/zinc/30/21/41/178302141.db2.gz NCCSOILVJYTUDC-UHFFFAOYSA-N 0 0 207.660 3.667 10 0 BHAERN Cc1ccc(Cl)c2oc(C3CC3)nc21 ZINC000062524977 178660897 /nfs/dbraw/zinc/66/08/97/178660897.db2.gz OMABLVFGIJBXSZ-UHFFFAOYSA-N 0 0 207.660 3.667 10 0 BHAERN Cc1cccc2nc(-c3ccccc3)oc21 ZINC000062525116 179228096 /nfs/dbraw/zinc/22/80/96/179228096.db2.gz VPNXLHLCORCHDS-UHFFFAOYSA-N 0 0 209.248 3.803 10 0 BHAERN Cc1cc(Cl)cc2nc(C(C)C)oc21 ZINC000062525134 178064700 /nfs/dbraw/zinc/06/47/00/178064700.db2.gz PURGASCRFGLCBX-UHFFFAOYSA-N 0 0 209.676 3.913 10 0 BHAERN Cc1cc2nc(C(C)C)oc2cc1Cl ZINC000062525143 178300472 /nfs/dbraw/zinc/30/04/72/178300472.db2.gz ZHKXBONRABLHLG-UHFFFAOYSA-N 0 0 209.676 3.913 10 0 BHAERN Cc1ccc(Cl)c2oc(C(C)C)nc21 ZINC000062525153 178660540 /nfs/dbraw/zinc/66/05/40/178660540.db2.gz GNPQGVVRWMVHMH-UHFFFAOYSA-N 0 0 209.676 3.913 10 0 BHAERN CCc1nc2c(cc(C)c(Cl)c2C)o1 ZINC000062525161 172008738 /nfs/dbraw/zinc/00/87/38/172008738.db2.gz XRVYMLJHLXUQOQ-UHFFFAOYSA-N 0 0 209.676 3.660 10 0 BHAERN CC(C)Cc1nc2cccc(Cl)c2o1 ZINC000062525166 187361759 /nfs/dbraw/zinc/36/17/59/187361759.db2.gz PCCWYMCQFDJKAD-UHFFFAOYSA-N 0 0 209.676 3.680 10 0 BHAERN CCCc1nc2cc(F)c(Cl)cc2o1 ZINC000062525968 169594764 /nfs/dbraw/zinc/59/47/64/169594764.db2.gz QFCVJKMVVCKEAE-UHFFFAOYSA-N 0 0 213.639 3.573 10 0 BHAERN CCc1nc2cc(Cl)c(Cl)cc2o1 ZINC000062526204 172011140 /nfs/dbraw/zinc/01/11/40/172011140.db2.gz WXUUVDCHOMWJIE-UHFFFAOYSA-N 0 0 216.067 3.697 10 0 BHAERN CCc1nc2cc(Cl)cc(Cl)c2o1 ZINC000062526207 172010751 /nfs/dbraw/zinc/01/07/51/172010751.db2.gz GRVFSKVRRFDESO-UHFFFAOYSA-N 0 0 216.067 3.697 10 0 BHAERN CCc1nc2c(o1)c(Cl)ccc2Cl ZINC000062526213 172009172 /nfs/dbraw/zinc/00/91/72/172009172.db2.gz SDXNZJBSERYWEI-UHFFFAOYSA-N 0 0 216.067 3.697 10 0 BHAERN CCc1nc2ccc(Cl)c(Cl)c2o1 ZINC000062526216 172012280 /nfs/dbraw/zinc/01/22/80/172012280.db2.gz ZHRDDXZIKRXAIV-UHFFFAOYSA-N 0 0 216.067 3.697 10 0 BHAERN CCc1nc2c(cc(Cl)cc2Cl)o1 ZINC000062526222 172009502 /nfs/dbraw/zinc/00/95/02/172009502.db2.gz MULSBYPWUMRIJR-UHFFFAOYSA-N 0 0 216.067 3.697 10 0 BHAERN COc1ccc2oc(-c3ccccc3)nc2c1 ZINC000062528837 175231435 /nfs/dbraw/zinc/23/14/35/175231435.db2.gz BSBUIGKASQYSTC-UHFFFAOYSA-N 0 0 225.247 3.503 10 0 BHAERN c1ccc(-c2ccc3c(c2)NCCCO3)cc1 ZINC000062528858 183379150 /nfs/dbraw/zinc/37/91/50/183379150.db2.gz UNTRMZGJQGFVAW-UHFFFAOYSA-N 0 0 225.291 3.548 10 0 BHAERN Cc1ccc([C@@H]2CNc3ccccc3O2)cc1 ZINC000062528864 178875270 /nfs/dbraw/zinc/87/52/70/178875270.db2.gz URYTWNNIOQSTQS-HNNXBMFYSA-N 0 0 225.291 3.541 10 0 BHAERN Cc1cccc2c1O[C@H](c1ccccc1)CN2 ZINC000062528875 179222635 /nfs/dbraw/zinc/22/26/35/179222635.db2.gz SRTJZWVUDNAHQY-AWEZNQCLSA-N 0 0 225.291 3.541 10 0 BHAERN Cc1cccc2c1O[C@@H](c1ccccc1)CN2 ZINC000062528878 179221962 /nfs/dbraw/zinc/22/19/62/179221962.db2.gz SRTJZWVUDNAHQY-CQSZACIVSA-N 0 0 225.291 3.541 10 0 BHAERN Cc1cccc2nc(-c3cccc(F)c3)oc21 ZINC000062529466 179228241 /nfs/dbraw/zinc/22/82/41/179228241.db2.gz KVNBUNDYKOGLIL-UHFFFAOYSA-N 0 0 227.238 3.942 10 0 BHAERN Cc1cccc2nc(-c3ccccc3F)oc21 ZINC000062529471 179228156 /nfs/dbraw/zinc/22/81/56/179228156.db2.gz MAACWEJJJSHNQM-UHFFFAOYSA-N 0 0 227.238 3.942 10 0 BHAERN Cc1cccc2nc(-c3ccc(F)cc3)oc21 ZINC000062529480 179228233 /nfs/dbraw/zinc/22/82/33/179228233.db2.gz RXAUSGWOHALPLE-UHFFFAOYSA-N 0 0 227.238 3.942 10 0 BHAERN Fc1ccc(-c2nc3cc(F)ccc3o2)cc1 ZINC000062530117 180958761 /nfs/dbraw/zinc/95/87/61/180958761.db2.gz DLSBXICDGRIWNW-UHFFFAOYSA-N 0 0 231.201 3.773 10 0 BHAERN CC[C@@H]1COc2cc(Cl)c(Cl)cc2N1 ZINC000062530425 171114833 /nfs/dbraw/zinc/11/48/33/171114833.db2.gz BIAMCTBSVUDTHC-ZCFIWIBFSA-N 0 0 232.110 3.576 10 0 BHAERN CC[C@@H]1COc2c(Cl)cc(Cl)cc2N1 ZINC000062530432 171114074 /nfs/dbraw/zinc/11/40/74/171114074.db2.gz ZWFUFTQTOKUHAM-SSDOTTSWSA-N 0 0 232.110 3.576 10 0 BHAERN C[C@@H]1CCNc2cc(Cl)c(Cl)cc2O1 ZINC000062530502 176187399 /nfs/dbraw/zinc/18/73/99/176187399.db2.gz DOWPZPKIFMENLK-ZCFIWIBFSA-N 0 0 232.110 3.576 10 0 BHAERN C[C@H]1CCNc2cc(Cl)c(Cl)cc2O1 ZINC000062530506 177176178 /nfs/dbraw/zinc/17/61/78/177176178.db2.gz DOWPZPKIFMENLK-LURJTMIESA-N 0 0 232.110 3.576 10 0 BHAERN C[C@@H]1CCNc2cc(Cl)cc(Cl)c2O1 ZINC000062530509 176186919 /nfs/dbraw/zinc/18/69/19/176186919.db2.gz YGOKNUZQMMLNBJ-ZCFIWIBFSA-N 0 0 232.110 3.576 10 0 BHAERN C[C@H]1CCNc2cc(Cl)cc(Cl)c2O1 ZINC000062530513 177176330 /nfs/dbraw/zinc/17/63/30/177176330.db2.gz YGOKNUZQMMLNBJ-LURJTMIESA-N 0 0 232.110 3.576 10 0 BHAERN C[C@@H]1CCNc2c(Cl)ccc(Cl)c2O1 ZINC000062530517 176187374 /nfs/dbraw/zinc/18/73/74/176187374.db2.gz SYZMCSKCGABGKA-ZCFIWIBFSA-N 0 0 232.110 3.576 10 0 BHAERN C[C@H]1CCNc2c(Cl)ccc(Cl)c2O1 ZINC000062530522 177176302 /nfs/dbraw/zinc/17/63/02/177176302.db2.gz SYZMCSKCGABGKA-LURJTMIESA-N 0 0 232.110 3.576 10 0 BHAERN C[C@@H]1CCNc2ccc(Cl)c(Cl)c2O1 ZINC000062530524 176186993 /nfs/dbraw/zinc/18/69/93/176186993.db2.gz LFOOMMMXILSVAL-ZCFIWIBFSA-N 0 0 232.110 3.576 10 0 BHAERN C[C@H]1CCNc2ccc(Cl)c(Cl)c2O1 ZINC000062530528 177176150 /nfs/dbraw/zinc/17/61/50/177176150.db2.gz LFOOMMMXILSVAL-LURJTMIESA-N 0 0 232.110 3.576 10 0 BHAERN C[C@@H]1CCNc2c(Cl)cc(Cl)cc2O1 ZINC000062530531 176186924 /nfs/dbraw/zinc/18/69/24/176186924.db2.gz OWOMABCRXBXFOL-ZCFIWIBFSA-N 0 0 232.110 3.576 10 0 BHAERN C[C@H]1CCNc2c(Cl)cc(Cl)cc2O1 ZINC000062530536 177176153 /nfs/dbraw/zinc/17/61/53/177176153.db2.gz OWOMABCRXBXFOL-LURJTMIESA-N 0 0 232.110 3.576 10 0 BHAERN CC[C@@H]1CNc2cc(Cl)c(Cl)cc2O1 ZINC000062530539 171102856 /nfs/dbraw/zinc/10/28/56/171102856.db2.gz WLHDEVKVIDWHID-ZCFIWIBFSA-N 0 0 232.110 3.576 10 0 BHAERN Brc1ccc2[nH]c(C3CC3)cc2c1 ZINC000062532296 166100158 /nfs/dbraw/zinc/10/01/58/166100158.db2.gz MMSCNCFCHTVPJS-UHFFFAOYSA-N 0 0 236.112 3.808 10 0 BHAERN CCc1cc(N)cc2nc(-c3ccccc3)oc21 ZINC000062532663 386578591 /nfs/dbraw/zinc/57/85/91/386578591.db2.gz BOQPMVCWJFYMHN-UHFFFAOYSA-N 0 0 238.290 3.639 10 0 BHAERN COc1ccc2oc(-c3cccc(C)c3)nc2c1 ZINC000062532763 175231606 /nfs/dbraw/zinc/23/16/06/175231606.db2.gz VBAXLFPEPXSHEH-UHFFFAOYSA-N 0 0 239.274 3.812 10 0 BHAERN COc1cccc(-c2nc3cccc(C)c3o2)c1 ZINC000062532766 175236042 /nfs/dbraw/zinc/23/60/42/175236042.db2.gz JUBBCGCVSSNXOE-UHFFFAOYSA-N 0 0 239.274 3.812 10 0 BHAERN Cc1ccc([C@@H]2CNc3cccc(C)c3O2)cc1 ZINC000062532849 178874731 /nfs/dbraw/zinc/87/47/31/178874731.db2.gz MJTOFNFQUDHJBQ-HNNXBMFYSA-N 0 0 239.318 3.849 10 0 BHAERN CC(C)c1cc(Br)cc2ncoc21 ZINC000062532992 187872620 /nfs/dbraw/zinc/87/26/20/187872620.db2.gz UOYRIIZTFRTXEF-UHFFFAOYSA-N 0 0 240.100 3.714 10 0 BHAERN CCCc1nc2ccc(Br)cc2o1 ZINC000062533002 169594075 /nfs/dbraw/zinc/59/40/75/169594075.db2.gz QWKSIWYVGKGZTM-UHFFFAOYSA-N 0 0 240.100 3.543 10 0 BHAERN Cc1nc2c(o1)c(C)cc(Br)c2C ZINC000062533013 180063537 /nfs/dbraw/zinc/06/35/37/180063537.db2.gz QHUSQHXJNSNWRH-UHFFFAOYSA-N 0 0 240.100 3.516 10 0 BHAERN Cc1nc2cc(Br)c(C)c(C)c2o1 ZINC000062533017 180075505 /nfs/dbraw/zinc/07/55/05/180075505.db2.gz IYYOOMYSFPFFFE-UHFFFAOYSA-N 0 0 240.100 3.516 10 0 BHAERN Cc1nc2c(cc(C)c(Br)c2C)o1 ZINC000062533021 180063796 /nfs/dbraw/zinc/06/37/96/180063796.db2.gz KKSAMCYEBPDHAI-UHFFFAOYSA-N 0 0 240.100 3.516 10 0 BHAERN Cc1nc2c(o1)c(Br)c(C)cc2C ZINC000062533027 180065154 /nfs/dbraw/zinc/06/51/54/180065154.db2.gz GSFNVQNQUTUPOE-UHFFFAOYSA-N 0 0 240.100 3.516 10 0 BHAERN Cc1ccc([C@H]2CNc3cc(F)ccc3O2)cc1 ZINC000062533870 178921679 /nfs/dbraw/zinc/92/16/79/178921679.db2.gz MTBMHQATIPGDDA-OAHLLOKOSA-N 0 0 243.281 3.680 10 0 BHAERN Cc1cccc2c1O[C@H](c1ccc(F)cc1)CN2 ZINC000062533875 179222160 /nfs/dbraw/zinc/22/21/60/179222160.db2.gz HEPMWHHHLAOHCM-AWEZNQCLSA-N 0 0 243.281 3.680 10 0 BHAERN Cc1cccc2c1O[C@@H](c1ccc(F)cc1)CN2 ZINC000062533876 179223118 /nfs/dbraw/zinc/22/31/18/179223118.db2.gz HEPMWHHHLAOHCM-CQSZACIVSA-N 0 0 243.281 3.680 10 0 BHAERN Nc1ccc(-c2nc3cccc(Cl)c3o2)cc1 ZINC000062534205 181696598 /nfs/dbraw/zinc/69/65/98/181696598.db2.gz UFIKWELWQDWGJD-UHFFFAOYSA-N 0 0 244.681 3.730 10 0 BHAERN Fc1ccc([C@@H]2CNc3cc(F)ccc3O2)cc1 ZINC000062535081 180982013 /nfs/dbraw/zinc/98/20/13/180982013.db2.gz ZQAQGPDUYAEBGW-AWEZNQCLSA-N 0 0 247.244 3.510 10 0 BHAERN Fc1ccc([C@H]2CNc3cc(F)ccc3O2)cc1 ZINC000062535084 180983744 /nfs/dbraw/zinc/98/37/44/180983744.db2.gz ZQAQGPDUYAEBGW-CQSZACIVSA-N 0 0 247.244 3.510 10 0 BHAERN Cc1ccc2cc(Cl)cc(Cl)c2n1 ZINC000062570502 178969457 /nfs/dbraw/zinc/96/94/57/178969457.db2.gz HIDPTHKYLBKGFR-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Cc1cc(Oc2cccc(F)c2F)ccc1N ZINC000062611224 349488184 /nfs/dbraw/zinc/48/81/84/349488184.db2.gz CQKXXNFORPNTFA-UHFFFAOYSA-N 0 0 235.233 3.648 10 0 BHAERN C[C@H](Oc1cccc(F)c1F)c1ccc(N)cc1 ZINC000062611922 177023767 /nfs/dbraw/zinc/02/37/67/177023767.db2.gz MNTJINBDPJCPET-VIFPVBQESA-N 0 0 249.260 3.687 10 0 BHAERN C[C@@H](Oc1cccc(F)c1F)c1ccc(N)cc1 ZINC000062611926 176004766 /nfs/dbraw/zinc/00/47/66/176004766.db2.gz MNTJINBDPJCPET-SECBINFHSA-N 0 0 249.260 3.687 10 0 BHAERN O[C@@H]1CCCOc2ccc(-c3ccccc3)cc21 ZINC000062619594 183193492 /nfs/dbraw/zinc/19/34/92/183193492.db2.gz CJFWJKPVLGRLSX-OAHLLOKOSA-N 0 0 240.302 3.560 10 0 BHAERN O[C@H]1CCCOc2ccc(-c3ccccc3)cc21 ZINC000062619596 183235422 /nfs/dbraw/zinc/23/54/22/183235422.db2.gz CJFWJKPVLGRLSX-HNNXBMFYSA-N 0 0 240.302 3.560 10 0 BHAERN CC(C)CNc1cc(C(F)(F)F)ccc1F ZINC000062655405 167015479 /nfs/dbraw/zinc/01/54/79/167015479.db2.gz NBIMPUJQXPGTDL-UHFFFAOYSA-N 0 0 235.224 3.912 10 0 BHAERN CCCNc1cc(C(F)(F)F)ccc1F ZINC000062655523 169293844 /nfs/dbraw/zinc/29/38/44/169293844.db2.gz DYMGMVRGOXIWJP-UHFFFAOYSA-N 0 0 221.197 3.666 10 0 BHAERN CCNc1cc(-c2ccc3ccccc3c2)[nH]n1 ZINC000062667895 170171144 /nfs/dbraw/zinc/17/11/44/170171144.db2.gz HEGGEOBHMCHZRM-UHFFFAOYSA-N 0 0 237.306 3.662 10 0 BHAERN CCCNc1cc(-c2ccc(C)cc2C)[nH]n1 ZINC000062668182 169293609 /nfs/dbraw/zinc/29/36/09/169293609.db2.gz UVFWRBJJTZCNFF-UHFFFAOYSA-N 0 0 229.327 3.515 10 0 BHAERN CCCNc1n[nH]c2c1[C@@H](C)CC[C@@H]2C(C)C ZINC000062668310 169293996 /nfs/dbraw/zinc/29/39/96/169293996.db2.gz GGBWUVQPRXEDKH-WDEREUQCSA-N 0 0 235.375 3.869 10 0 BHAERN CCCNc1n[nH]c2c1[C@H](C)CC[C@H]2C(C)C ZINC000062668312 169293474 /nfs/dbraw/zinc/29/34/74/169293474.db2.gz GGBWUVQPRXEDKH-MNOVXSKESA-N 0 0 235.375 3.869 10 0 BHAERN CCCNc1n[nH]c2c1[C@H](C)CC[C@@H]2C(C)C ZINC000062668313 169293445 /nfs/dbraw/zinc/29/34/45/169293445.db2.gz GGBWUVQPRXEDKH-GHMZBOCLSA-N 0 0 235.375 3.869 10 0 BHAERN CCCNc1n[nH]c(-c2cccc(Cl)c2)c1C ZINC000062668345 169293995 /nfs/dbraw/zinc/29/39/95/169293995.db2.gz NOJADYGWDUTLEO-UHFFFAOYSA-N 0 0 249.745 3.860 10 0 BHAERN CCCNc1n[nH]c(-c2ccc(Cl)cc2)c1C ZINC000062668353 169293594 /nfs/dbraw/zinc/29/35/94/169293594.db2.gz VXFMHVCEQUUMGZ-UHFFFAOYSA-N 0 0 249.745 3.860 10 0 BHAERN CC(C)Nc1n[nH]c2c1CCC[C@H]2C(C)(C)C ZINC000062668664 167141786 /nfs/dbraw/zinc/14/17/86/167141786.db2.gz JVEZMBMHZREUQR-LLVKDONJSA-N 0 0 235.375 3.696 10 0 BHAERN CC(C)Nc1n[nH]c2c1CCC[C@@H]2C(C)(C)C ZINC000062668666 167142598 /nfs/dbraw/zinc/14/25/98/167142598.db2.gz JVEZMBMHZREUQR-NSHDSACASA-N 0 0 235.375 3.696 10 0 BHAERN Cc1c(NC(C)C)n[nH]c1-c1ccc(C)cc1 ZINC000062668691 178331911 /nfs/dbraw/zinc/33/19/11/178331911.db2.gz AMDDZEJBESUNJN-UHFFFAOYSA-N 0 0 229.327 3.514 10 0 BHAERN CCCc1ccc(-c2cc(NC3CC3)n[nH]2)cc1 ZINC000062668787 169568601 /nfs/dbraw/zinc/56/86/01/169568601.db2.gz WXZUJHCWYWHIIC-UHFFFAOYSA-N 0 0 241.338 3.604 10 0 BHAERN CCC(C)(C)[C@@H]1CCc2[nH]nc(NC3CC3)c2C1 ZINC000062668995 168304807 /nfs/dbraw/zinc/30/48/07/168304807.db2.gz NSJVWYINIQIMLH-SNVBAGLBSA-N 0 0 247.386 3.525 10 0 BHAERN CCC(C)(C)[C@H]1CCc2[nH]nc(NC3CC3)c2C1 ZINC000062668997 168306036 /nfs/dbraw/zinc/30/60/36/168306036.db2.gz NSJVWYINIQIMLH-JTQLQIEISA-N 0 0 247.386 3.525 10 0 BHAERN Cc1c(NC(C)(C)C)n[nH]c1-c1ccc(C)cc1 ZINC000062669329 178332121 /nfs/dbraw/zinc/33/21/21/178332121.db2.gz PKXFDUBGKXHOAS-UHFFFAOYSA-N 0 0 243.354 3.904 10 0 BHAERN CC(C)CNc1cc(-c2ccccc2Cl)[nH]n1 ZINC000062669408 167015402 /nfs/dbraw/zinc/01/54/02/167015402.db2.gz PWLWDVLNNPMTLI-UHFFFAOYSA-N 0 0 249.745 3.798 10 0 BHAERN Cc1ccc(-c2cc(NCC(C)C)n[nH]2)c(C)c1 ZINC000062669428 178321330 /nfs/dbraw/zinc/32/13/30/178321330.db2.gz GEZIFEQAZHEHOP-UHFFFAOYSA-N 0 0 243.354 3.761 10 0 BHAERN Cc1ccccc1Oc1c(F)cc(C=O)cc1F ZINC000062708706 179314490 /nfs/dbraw/zinc/31/44/90/179314490.db2.gz HDGPVRHVSOCGSH-UHFFFAOYSA-N 0 0 248.228 3.878 10 0 BHAERN CC[C@H](CO)Cc1cc(Cl)cc(Cl)c1 ZINC000062711364 385073397 /nfs/dbraw/zinc/07/33/97/385073397.db2.gz SVDFTJZHEYETIP-QMMMGPOBSA-N 0 0 233.138 3.554 10 0 BHAERN CC[C@@H](CO)Cc1cc(Cl)cc(Cl)c1 ZINC000062711367 385071120 /nfs/dbraw/zinc/07/11/20/385071120.db2.gz SVDFTJZHEYETIP-MRVPVSSYSA-N 0 0 233.138 3.554 10 0 BHAERN CCCC[C@@]1(CCC)Nc2ccccc2C(=O)N1 ZINC000062716757 169016660 /nfs/dbraw/zinc/01/66/60/169016660.db2.gz FYWZTCPZVOCPON-HNNXBMFYSA-N 0 0 246.354 3.529 10 0 BHAERN C[C@H](O)c1cccc2ccc(Cl)cc21 ZINC000062721040 177017901 /nfs/dbraw/zinc/01/79/01/177017901.db2.gz WHBJOHWRCJKGSN-QMMMGPOBSA-N 0 0 206.672 3.547 10 0 BHAERN Nc1ccc(Cl)c2cccc(Cl)c12 ZINC000062721286 181709678 /nfs/dbraw/zinc/70/96/78/181709678.db2.gz UNKVZMYAFSYLJH-UHFFFAOYSA-N 0 0 212.079 3.729 10 0 BHAERN Oc1cccc2c(Cl)cc(Cl)cc12 ZINC000062721383 183294683 /nfs/dbraw/zinc/29/46/83/183294683.db2.gz OCCYVEDEMVAAAN-UHFFFAOYSA-N 0 0 213.063 3.852 10 0 BHAERN Oc1cccc2cc(Cl)c(Cl)cc12 ZINC000062721386 183298073 /nfs/dbraw/zinc/29/80/73/183298073.db2.gz HNCOLTQKFTVPCU-UHFFFAOYSA-N 0 0 213.063 3.852 10 0 BHAERN Oc1ccc2c(Cl)cccc2c1Cl ZINC000062721391 183278371 /nfs/dbraw/zinc/27/83/71/183278371.db2.gz LABOTGWMEVWYHC-UHFFFAOYSA-N 0 0 213.063 3.852 10 0 BHAERN Oc1ccc2ccc(Cl)cc2c1Cl ZINC000062721394 183284017 /nfs/dbraw/zinc/28/40/17/183284017.db2.gz AOXQTQUDLNNSDO-UHFFFAOYSA-N 0 0 213.063 3.852 10 0 BHAERN Oc1ccc2cccc(Cl)c2c1Cl ZINC000062721396 183284164 /nfs/dbraw/zinc/28/41/64/183284164.db2.gz DPUPMVJCQRPJFY-UHFFFAOYSA-N 0 0 213.063 3.852 10 0 BHAERN Oc1cc2ccc(Cl)cc2cc1Cl ZINC000062721399 183262902 /nfs/dbraw/zinc/26/29/02/183262902.db2.gz AHQBPXAMCQFRIU-UHFFFAOYSA-N 0 0 213.063 3.852 10 0 BHAERN Oc1cc(Cl)c2cccc(Cl)c2c1 ZINC000062721401 183258620 /nfs/dbraw/zinc/25/86/20/183258620.db2.gz PNKGZMMXDXIUTG-UHFFFAOYSA-N 0 0 213.063 3.852 10 0 BHAERN Oc1ccc2c(Cl)c(Cl)ccc2c1 ZINC000062721403 183279048 /nfs/dbraw/zinc/27/90/48/183279048.db2.gz XRWRIKYMUWXSAR-UHFFFAOYSA-N 0 0 213.063 3.852 10 0 BHAERN Oc1ccc2c(Cl)ccc(Cl)c2c1 ZINC000062721405 183277967 /nfs/dbraw/zinc/27/79/67/183277967.db2.gz ACNOLCYSQPFXFF-UHFFFAOYSA-N 0 0 213.063 3.852 10 0 BHAERN Nc1cc(Cl)c(Cl)c(C(F)(F)F)c1 ZINC000062722160 385775665 /nfs/dbraw/zinc/77/56/65/385775665.db2.gz OUSCVTBXVKWXMD-UHFFFAOYSA-N 0 0 230.016 3.594 10 0 BHAERN Cc1cccc2cc(C(=O)c3ccccc3)[nH]c21 ZINC000062722429 179226843 /nfs/dbraw/zinc/22/68/43/179226843.db2.gz HRLCEAONVWJNOL-UHFFFAOYSA-N 0 0 235.286 3.707 10 0 BHAERN O=Cc1cc(OCc2ccccc2)ccc1Cl ZINC000062722915 385776864 /nfs/dbraw/zinc/77/68/64/385776864.db2.gz VEIWWFBTDZYPQN-UHFFFAOYSA-N 0 0 246.693 3.732 10 0 BHAERN Cc1c(N)cccc1N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000062724182 177613713 /nfs/dbraw/zinc/61/37/13/177613713.db2.gz BMHWMIGLRAEJPU-UHIISALHSA-N 0 0 232.371 3.814 10 0 BHAERN Cc1c(N)cccc1Nc1cc(F)cc(F)c1 ZINC000062724527 177615205 /nfs/dbraw/zinc/61/52/05/177615205.db2.gz MRGIIXIDKYNIQV-UHFFFAOYSA-N 0 0 234.249 3.599 10 0 BHAERN CCN(Cc1cccs1)c1cccc(N)c1C ZINC000062724905 169923742 /nfs/dbraw/zinc/92/37/42/169923742.db2.gz BJNUVEFSJOKUFJ-UHFFFAOYSA-N 0 0 246.379 3.665 10 0 BHAERN Cc1c(N)cccc1N[C@@H](C)c1ccccc1F ZINC000062725005 177614118 /nfs/dbraw/zinc/61/41/18/177614118.db2.gz ZIXXDEPUPGHKOJ-NSHDSACASA-N 0 0 244.313 3.889 10 0 BHAERN Cc1cc([C@@H](C)Nc2cccc(N)c2C)c(C)o1 ZINC000062725189 178234255 /nfs/dbraw/zinc/23/42/55/178234255.db2.gz KJZULXAHNYZQST-LLVKDONJSA-N 0 0 244.338 3.960 10 0 BHAERN Cc1cc([C@H](C)Nc2cccc(N)c2C)c(C)o1 ZINC000062725190 178259871 /nfs/dbraw/zinc/25/98/71/178259871.db2.gz KJZULXAHNYZQST-NSHDSACASA-N 0 0 244.338 3.960 10 0 BHAERN Cc1cccc(N(C)c2cccc(N)c2C)c1 ZINC000062725301 179117426 /nfs/dbraw/zinc/11/74/26/179117426.db2.gz ONLUNPCBQOGPSW-UHFFFAOYSA-N 0 0 226.323 3.654 10 0 BHAERN CCN(c1cccc(N)c1C)c1ccccc1F ZINC000062725309 169943988 /nfs/dbraw/zinc/94/39/88/169943988.db2.gz YNEXNMRTUHHINF-UHFFFAOYSA-N 0 0 244.313 3.874 10 0 BHAERN Cc1c(N)cccc1Nc1ccc2ncccc2c1 ZINC000062725467 177615849 /nfs/dbraw/zinc/61/58/49/177615849.db2.gz VADKNHUNOZKRBZ-UHFFFAOYSA-N 0 0 249.317 3.869 10 0 BHAERN Cc1c(N)cccc1Sc1ccccc1 ZINC000062725546 385184104 /nfs/dbraw/zinc/18/41/04/385184104.db2.gz YFZPBQSQPNMFJE-UHFFFAOYSA-N 0 0 215.321 3.728 10 0 BHAERN Cc1c(N)cccc1Sc1cccs1 ZINC000062725583 346916668 /nfs/dbraw/zinc/91/66/68/346916668.db2.gz SGSKGVBGDPSERI-UHFFFAOYSA-N 0 0 221.350 3.790 10 0 BHAERN C[C@H](O)c1ccc(F)cc1OCCC(C)(C)C ZINC000062748951 177017310 /nfs/dbraw/zinc/01/73/10/177017310.db2.gz ABTIYVQMZSRPLN-JTQLQIEISA-N 0 0 240.318 3.694 10 0 BHAERN C[C@H](O)c1ccc(F)cc1OC1CCCCC1 ZINC000062749342 177017121 /nfs/dbraw/zinc/01/71/21/177017121.db2.gz YBCFIGSFJAAYKH-JTQLQIEISA-N 0 0 238.302 3.591 10 0 BHAERN C[C@@H](O)c1ccc(F)cc1OC1CCCCC1 ZINC000062749343 187784725 /nfs/dbraw/zinc/78/47/25/187784725.db2.gz YBCFIGSFJAAYKH-SNVBAGLBSA-N 0 0 238.302 3.591 10 0 BHAERN C[C@H](Cc1ccco1)Nc1ccc(F)c(F)c1 ZINC000062769560 176724985 /nfs/dbraw/zinc/72/49/85/176724985.db2.gz UUWDWYQMVDTFAL-SECBINFHSA-N 0 0 237.249 3.601 10 0 BHAERN C[C@@H](Cc1ccco1)Nc1ccc(F)cc1F ZINC000062769589 175774831 /nfs/dbraw/zinc/77/48/31/175774831.db2.gz LVDWVEYYOPTPCL-VIFPVBQESA-N 0 0 237.249 3.601 10 0 BHAERN C[C@H](Cc1ccco1)Nc1ccc(F)cc1F ZINC000062769590 176725581 /nfs/dbraw/zinc/72/55/81/176725581.db2.gz LVDWVEYYOPTPCL-SECBINFHSA-N 0 0 237.249 3.601 10 0 BHAERN Cc1ccc(N[C@@H](C)Cc2ccco2)cc1F ZINC000062769597 178769629 /nfs/dbraw/zinc/76/96/29/178769629.db2.gz FVWIGJCOGVOTOQ-NSHDSACASA-N 0 0 233.286 3.770 10 0 BHAERN Cc1ccc(N[C@H](C)Cc2ccco2)cc1F ZINC000062769598 178775705 /nfs/dbraw/zinc/77/57/05/178775705.db2.gz FVWIGJCOGVOTOQ-LLVKDONJSA-N 0 0 233.286 3.770 10 0 BHAERN Cc1cccc(N[C@@H](C)Cc2ccco2)c1C ZINC000062769619 179153106 /nfs/dbraw/zinc/15/31/06/179153106.db2.gz XKHHXVYTLYMQEM-LBPRGKRZSA-N 0 0 229.323 3.940 10 0 BHAERN Cc1cccc(N[C@H](C)Cc2ccco2)c1C ZINC000062769620 179156237 /nfs/dbraw/zinc/15/62/37/179156237.db2.gz XKHHXVYTLYMQEM-GFCCVEGCSA-N 0 0 229.323 3.940 10 0 BHAERN Cc1ccc(N[C@H](C)Cc2ccco2)c(F)c1 ZINC000062769832 178775792 /nfs/dbraw/zinc/77/57/92/178775792.db2.gz RIMGFECHWUGIAF-LLVKDONJSA-N 0 0 233.286 3.770 10 0 BHAERN CC(=O)Cc1ccc(-c2cccc(F)c2C)o1 ZINC000062770115 188302851 /nfs/dbraw/zinc/30/28/51/188302851.db2.gz JDIZUXWGKGDPDX-UHFFFAOYSA-N 0 0 232.254 3.526 10 0 BHAERN Cc1cccc2c(Cl)nc(C(F)F)nc12 ZINC000062772439 346963806 /nfs/dbraw/zinc/96/38/06/346963806.db2.gz CKJHAYHYPZIEHI-UHFFFAOYSA-N 0 0 228.629 3.529 10 0 BHAERN FC(F)c1nc(Cl)c2cc(Cl)ccc2n1 ZINC000062772459 180910927 /nfs/dbraw/zinc/91/09/27/180910927.db2.gz XOAPMJIJMMRLQS-UHFFFAOYSA-N 0 0 249.047 3.874 10 0 BHAERN Cc1cccc2nc(C(F)F)nc(Cl)c12 ZINC000062772485 346963884 /nfs/dbraw/zinc/96/38/84/346963884.db2.gz AHEGBUCJCJBMDM-UHFFFAOYSA-N 0 0 228.629 3.529 10 0 BHAERN CC(C)(C(=O)Cc1cccs1)c1ccccc1 ZINC000062772815 166503479 /nfs/dbraw/zinc/50/34/79/166503479.db2.gz KPXADWUUKZSWII-UHFFFAOYSA-N 0 0 244.359 3.838 10 0 BHAERN C[C@H](O)c1cnc(C(C)(C)c2ccccc2)s1 ZINC000062773702 177018191 /nfs/dbraw/zinc/01/81/91/177018191.db2.gz YGXYMBRNKDUAQJ-JTQLQIEISA-N 0 0 247.363 3.522 10 0 BHAERN Cc1cccc(C(=O)c2ccccc2F)c1C ZINC000062773947 179027519 /nfs/dbraw/zinc/02/75/19/179027519.db2.gz XBDOLDXTBIYMIW-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1cc(F)ccc1C(=O)c1ccccc1F ZINC000062773951 178083448 /nfs/dbraw/zinc/08/34/48/178083448.db2.gz QBDZVWVXHXCUAY-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN Cc1cc(C)cc(C(=O)c2ccccc2F)c1 ZINC000062773980 346963854 /nfs/dbraw/zinc/96/38/54/346963854.db2.gz RNWLCUZBALPPOY-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1cccc([C@H](O)c2ccccc2F)c1C ZINC000062774231 179203715 /nfs/dbraw/zinc/20/37/15/179203715.db2.gz GERWKAUWQBUZBX-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1cccc([C@@H](O)c2ccccc2F)c1C ZINC000062774232 179188164 /nfs/dbraw/zinc/18/81/64/179188164.db2.gz GERWKAUWQBUZBX-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1cccc([C@H](O)C2(c3ccccc3)CC2)c1 ZINC000062780681 179202023 /nfs/dbraw/zinc/20/20/23/179202023.db2.gz LFUAAZXPWDGIKG-INIZCTEOSA-N 0 0 238.330 3.760 10 0 BHAERN Cc1cccc([C@@H](O)C2(c3ccccc3)CC2)c1 ZINC000062780682 179186610 /nfs/dbraw/zinc/18/66/10/179186610.db2.gz LFUAAZXPWDGIKG-MRXNPFEDSA-N 0 0 238.330 3.760 10 0 BHAERN Cc1ccccc1[C@H](O)C1(c2ccccc2)CC1 ZINC000062780689 179345030 /nfs/dbraw/zinc/34/50/30/179345030.db2.gz CVWIQDVPPHDPBA-INIZCTEOSA-N 0 0 238.330 3.760 10 0 BHAERN Cc1ccccc1[C@@H](O)C1(c2ccccc2)CC1 ZINC000062780690 179326003 /nfs/dbraw/zinc/32/60/03/179326003.db2.gz CVWIQDVPPHDPBA-MRXNPFEDSA-N 0 0 238.330 3.760 10 0 BHAERN O[C@H](c1ccccc1F)C1(c2ccccc2)CC1 ZINC000062780705 183229781 /nfs/dbraw/zinc/22/97/81/183229781.db2.gz IQOBBRMMEOMBRW-OAHLLOKOSA-N 0 0 242.293 3.591 10 0 BHAERN O[C@@H](c1ccccc1F)C1(c2ccccc2)CC1 ZINC000062780706 183185794 /nfs/dbraw/zinc/18/57/94/183185794.db2.gz IQOBBRMMEOMBRW-HNNXBMFYSA-N 0 0 242.293 3.591 10 0 BHAERN O[C@H](c1cccs1)C1(c2ccccc2)CCC1 ZINC000062780843 183230874 /nfs/dbraw/zinc/23/08/74/183230874.db2.gz OSUHCRYMCSAGIJ-CQSZACIVSA-N 0 0 244.359 3.903 10 0 BHAERN O[C@@H](c1cccs1)C1(c2ccccc2)CCC1 ZINC000062780844 183187129 /nfs/dbraw/zinc/18/71/29/183187129.db2.gz OSUHCRYMCSAGIJ-AWEZNQCLSA-N 0 0 244.359 3.903 10 0 BHAERN CC(C)CC[C@@H](O)C1(c2ccccc2)CCC1 ZINC000062780920 166897910 /nfs/dbraw/zinc/89/79/10/166897910.db2.gz ZLZKCLHVCXMYJO-OAHLLOKOSA-N 0 0 232.367 3.905 10 0 BHAERN O[C@@H](c1ccccc1)C1(c2ccccc2)CCC1 ZINC000062780945 183186097 /nfs/dbraw/zinc/18/60/97/183186097.db2.gz NWSXGWPMIZEYHA-INIZCTEOSA-N 0 0 238.330 3.842 10 0 BHAERN O[C@H](c1ccccc1)C1(c2ccccc2)CCC1 ZINC000062780946 183229403 /nfs/dbraw/zinc/22/94/03/183229403.db2.gz NWSXGWPMIZEYHA-MRXNPFEDSA-N 0 0 238.330 3.842 10 0 BHAERN CC(C)(C)[C@@H](O)C1(c2ccccc2)CCCC1 ZINC000062782563 166697959 /nfs/dbraw/zinc/69/79/59/166697959.db2.gz PYXQFIPVNXEXRS-CQSZACIVSA-N 0 0 232.367 3.905 10 0 BHAERN CCOC(=N)C1(c2ccccc2)CCCCC1 ZINC000062782994 170180068 /nfs/dbraw/zinc/18/00/68/170180068.db2.gz DUYQAVMJMMTGMG-UHFFFAOYSA-N 0 0 231.339 3.902 10 0 BHAERN CCCCC(=O)c1ccc(Cl)cc1F ZINC000062785170 350557362 /nfs/dbraw/zinc/55/73/62/350557362.db2.gz UPVJGSDIHLUCTQ-UHFFFAOYSA-N 0 0 214.667 3.852 10 0 BHAERN CC(C)CC(=O)c1ccc(Cl)cc1F ZINC000062785258 346988729 /nfs/dbraw/zinc/98/87/29/346988729.db2.gz IIXQITMEBAZGMC-UHFFFAOYSA-N 0 0 214.667 3.708 10 0 BHAERN CC(C)(C)[C@H](O)c1ccc(Cl)cc1F ZINC000062785456 346989150 /nfs/dbraw/zinc/98/91/50/346989150.db2.gz XVJGOQSVGOHOIW-SNVBAGLBSA-N 0 0 216.683 3.559 10 0 BHAERN CC(C)(C)[C@@H](O)c1ccc(Cl)cc1F ZINC000062785457 346988858 /nfs/dbraw/zinc/98/88/58/346988858.db2.gz XVJGOQSVGOHOIW-JTQLQIEISA-N 0 0 216.683 3.559 10 0 BHAERN CCCC[C@H](O)c1ccc(Cl)cc1F ZINC000062785549 350557244 /nfs/dbraw/zinc/55/72/44/350557244.db2.gz GGBMLWBPLYFUTO-NSHDSACASA-N 0 0 216.683 3.703 10 0 BHAERN CCCC[C@@H](O)c1ccc(Cl)cc1F ZINC000062785550 346989754 /nfs/dbraw/zinc/98/97/54/346989754.db2.gz GGBMLWBPLYFUTO-LLVKDONJSA-N 0 0 216.683 3.703 10 0 BHAERN CC(C)C[C@H](O)c1ccc(Cl)cc1F ZINC000062785559 346989988 /nfs/dbraw/zinc/98/99/88/346989988.db2.gz OYCCWEONSJFIIY-NSHDSACASA-N 0 0 216.683 3.559 10 0 BHAERN CC(C)C[C@@H](O)c1ccc(Cl)cc1F ZINC000062785560 346989919 /nfs/dbraw/zinc/98/99/19/346989919.db2.gz OYCCWEONSJFIIY-LLVKDONJSA-N 0 0 216.683 3.559 10 0 BHAERN Fc1ccc(-c2nccc(Cl)n2)cc1Cl ZINC000062791656 347046177 /nfs/dbraw/zinc/04/61/77/347046177.db2.gz ZTBKWVDUZNBXDE-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN O=C(c1cccs1)c1ccc(F)c(Cl)c1 ZINC000062791747 347047621 /nfs/dbraw/zinc/04/76/21/347047621.db2.gz MFCXBJLFXQPACJ-UHFFFAOYSA-N 0 0 240.686 3.772 10 0 BHAERN CC(C)C[C@H](O)c1ccc(F)c(Cl)c1 ZINC000062791926 187613960 /nfs/dbraw/zinc/61/39/60/187613960.db2.gz PKGOIIGSEKWUGA-NSHDSACASA-N 0 0 216.683 3.559 10 0 BHAERN CC(C)C[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000062791927 187958097 /nfs/dbraw/zinc/95/80/97/187958097.db2.gz PKGOIIGSEKWUGA-LLVKDONJSA-N 0 0 216.683 3.559 10 0 BHAERN CNc1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000062796574 347047222 /nfs/dbraw/zinc/04/72/22/347047222.db2.gz YPJUXYVXNDFJIA-UHFFFAOYSA-N 0 0 242.052 3.637 10 0 BHAERN CNc1ccccc1SC1CCCC1 ZINC000062796704 347047681 /nfs/dbraw/zinc/04/76/81/347047681.db2.gz KRCFMUWDJHDAPJ-UHFFFAOYSA-N 0 0 207.342 3.763 10 0 BHAERN CCNc1c(Cl)ccc(C)c1Cl ZINC000062796921 347046978 /nfs/dbraw/zinc/04/69/78/347046978.db2.gz PIFWPAXPIYFLGN-UHFFFAOYSA-N 0 0 204.100 3.734 10 0 BHAERN CCCNc1nc2ccc(Cl)cc2s1 ZINC000062796922 169296427 /nfs/dbraw/zinc/29/64/27/169296427.db2.gz BNZKRDGUFGJVIJ-UHFFFAOYSA-N 0 0 226.732 3.772 10 0 BHAERN CCNc1ccc(Oc2ccccc2OC)cc1 ZINC000062796949 170174120 /nfs/dbraw/zinc/17/41/20/170174120.db2.gz QPSLTGYQSSFPNK-UHFFFAOYSA-N 0 0 243.306 3.919 10 0 BHAERN CC(C)CC(=O)c1cc2ccccc2o1 ZINC000062797226 347056495 /nfs/dbraw/zinc/05/64/95/347056495.db2.gz WFRWKONWHVKSPI-UHFFFAOYSA-N 0 0 202.253 3.662 10 0 BHAERN O=C(c1ccc2ncccc2c1)C1CCCCC1 ZINC000062801740 182667957 /nfs/dbraw/zinc/66/79/57/182667957.db2.gz UXIIGFJVVAJLJM-UHFFFAOYSA-N 0 0 239.318 3.998 10 0 BHAERN Cc1ccccc1C(=O)c1ccc2ncccc2c1 ZINC000062801760 179253187 /nfs/dbraw/zinc/25/31/87/179253187.db2.gz NSOXLTHMQDZFDQ-UHFFFAOYSA-N 0 0 247.297 3.774 10 0 BHAERN Cc1cccc([C@H](O)c2ccc3ncccc3c2)c1 ZINC000062801836 179204150 /nfs/dbraw/zinc/20/41/50/179204150.db2.gz IAZVFYWXOWHIQA-KRWDZBQOSA-N 0 0 249.313 3.625 10 0 BHAERN Cc1cccc([C@@H](O)c2ccc3ncccc3c2)c1 ZINC000062801837 179187831 /nfs/dbraw/zinc/18/78/31/179187831.db2.gz IAZVFYWXOWHIQA-QGZVFWFLSA-N 0 0 249.313 3.625 10 0 BHAERN O[C@H](CC1CCCC1)c1ccc2ncccc2c1 ZINC000062801954 183219389 /nfs/dbraw/zinc/21/93/89/183219389.db2.gz CFVIOOJIPJMZST-MRXNPFEDSA-N 0 0 241.334 3.849 10 0 BHAERN O[C@@H](CC1CCCC1)c1ccc2ncccc2c1 ZINC000062801955 183173258 /nfs/dbraw/zinc/17/32/58/183173258.db2.gz CFVIOOJIPJMZST-INIZCTEOSA-N 0 0 241.334 3.849 10 0 BHAERN Cc1c(N)cccc1SC1CCCC1 ZINC000062829126 347138203 /nfs/dbraw/zinc/13/82/03/347138203.db2.gz HXYXFXVDUKNTBF-UHFFFAOYSA-N 0 0 207.342 3.612 10 0 BHAERN Cc1ccc(N)cc1SC1CCCC1 ZINC000062829152 347138670 /nfs/dbraw/zinc/13/86/70/347138670.db2.gz VWSGAHHWCVVDLD-UHFFFAOYSA-N 0 0 207.342 3.612 10 0 BHAERN Fc1cccc(SCC2CCCC2)n1 ZINC000062836259 347170542 /nfs/dbraw/zinc/17/05/42/347170542.db2.gz ZHMDJYBGGIHEEX-UHFFFAOYSA-N 0 0 211.305 3.503 10 0 BHAERN CCC(=O)c1ccc(-c2ccc(C)nc2)cc1 ZINC000062948336 168255065 /nfs/dbraw/zinc/25/50/65/168255065.db2.gz CZBJVURLNUWMTF-UHFFFAOYSA-N 0 0 225.291 3.650 10 0 BHAERN CCC1(CC)CCN(c2cccc(N)c2C)CC1 ZINC000062953336 132388407 /nfs/dbraw/zinc/38/84/07/132388407.db2.gz HYQYETKKZAJJSY-UHFFFAOYSA-N 0 0 246.398 3.984 10 0 BHAERN CCC1(CC)CCN(c2cccc(N)c2)CC1 ZINC000062953386 132388541 /nfs/dbraw/zinc/38/85/41/132388541.db2.gz QDPBZPARSRFSRZ-UHFFFAOYSA-N 0 0 232.371 3.675 10 0 BHAERN CCC1(CC)CCN(c2ccc(C)cc2N)CC1 ZINC000062953392 132388702 /nfs/dbraw/zinc/38/87/02/132388702.db2.gz RAQIUNHCFIYNPZ-UHFFFAOYSA-N 0 0 246.398 3.984 10 0 BHAERN CCC1(CC)CCN(c2ccc(N)c(C)c2)CC1 ZINC000062953400 132388433 /nfs/dbraw/zinc/38/84/33/132388433.db2.gz MHLVOJOMWNVDLT-UHFFFAOYSA-N 0 0 246.398 3.984 10 0 BHAERN Nc1cc(F)cc(N2CCC3(CCCC3)CC2)c1 ZINC000062953572 132388550 /nfs/dbraw/zinc/38/85/50/132388550.db2.gz GEVQWYAXCDBJLI-UHFFFAOYSA-N 0 0 248.345 3.569 10 0 BHAERN Cc1ccc(N)cc1N1CCC2(CCCC2)CC1 ZINC000062953579 132388474 /nfs/dbraw/zinc/38/84/74/132388474.db2.gz ZWOVTBUFWRCRIA-UHFFFAOYSA-N 0 0 244.382 3.738 10 0 BHAERN CCC1(C)CCN(c2ccccc2C(C)=O)CC1 ZINC000062954411 132388459 /nfs/dbraw/zinc/38/84/59/132388459.db2.gz DFZGWLZKLQZNLN-UHFFFAOYSA-N 0 0 245.366 3.906 10 0 BHAERN CCC1(C)CCN(c2ccc(C=O)cc2)CC1 ZINC000062954519 132388765 /nfs/dbraw/zinc/38/87/65/132388765.db2.gz ONQQEEAREVUMPX-UHFFFAOYSA-N 0 0 231.339 3.516 10 0 BHAERN CCC1(CC)CCN(c2ccccc2C=O)CC1 ZINC000062954539 132388687 /nfs/dbraw/zinc/38/86/87/132388687.db2.gz KYIBFZZNMFCXGG-UHFFFAOYSA-N 0 0 245.366 3.906 10 0 BHAERN O=Cc1ccc(N2CCC3(CCCC3)CC2)cc1 ZINC000062954552 132388868 /nfs/dbraw/zinc/38/88/68/132388868.db2.gz CBYRRNCATUYRJZ-UHFFFAOYSA-N 0 0 243.350 3.660 10 0 BHAERN CCC1(C)CCN(c2ccc([C@@H](C)O)cc2)CC1 ZINC000062954796 132388839 /nfs/dbraw/zinc/38/88/39/132388839.db2.gz CAIGWBMJRFPHMM-CYBMUJFWSA-N 0 0 247.382 3.756 10 0 BHAERN CCC1(C)CCN(c2ccccc2[C@@H](C)O)CC1 ZINC000062954800 132388771 /nfs/dbraw/zinc/38/87/71/132388771.db2.gz LYTOPIOZRWQKMQ-CYBMUJFWSA-N 0 0 247.382 3.756 10 0 BHAERN CCC1(C)CCN(c2ccc(CO)c(C)c2)CC1 ZINC000062954803 132388354 /nfs/dbraw/zinc/38/83/54/132388354.db2.gz XULOBEQMZALDIR-UHFFFAOYSA-N 0 0 247.382 3.504 10 0 BHAERN Cc1cc(Cl)c2cc(N3CCCC3)ccc2n1 ZINC000062997069 178062460 /nfs/dbraw/zinc/06/24/60/178062460.db2.gz CGBHNPKUTITAJA-UHFFFAOYSA-N 0 0 246.741 3.797 10 0 BHAERN Cc1cc(OCc2ccc(F)cc2)c(C)cc1N ZINC000062997696 178212613 /nfs/dbraw/zinc/21/26/13/178212613.db2.gz IMJLPRXCVYRHAG-UHFFFAOYSA-N 0 0 245.297 3.604 10 0 BHAERN Cc1cc(Oc2ccc(Cl)cn2)c(C)cc1N ZINC000062997970 178214636 /nfs/dbraw/zinc/21/46/36/178214636.db2.gz UAAJNZHATLPEDN-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN Cc1ccc(C(=O)c2ccccc2)cc1Cl ZINC000063021124 350566373 /nfs/dbraw/zinc/56/63/73/350566373.db2.gz CKSGKLQEGFDORD-UHFFFAOYSA-N 0 0 230.694 3.879 10 0 BHAERN Cc1ccc(C(=O)c2cccs2)cc1Cl ZINC000063021132 350596274 /nfs/dbraw/zinc/59/62/74/350596274.db2.gz SUITUOORBLXWPG-UHFFFAOYSA-N 0 0 236.723 3.941 10 0 BHAERN CCCC(=O)Cc1ccccc1C(F)(F)F ZINC000063023386 350782139 /nfs/dbraw/zinc/78/21/39/350782139.db2.gz JKJKSLYBHWOHNU-UHFFFAOYSA-N 0 0 230.229 3.617 10 0 BHAERN CC(C)(C)C(=O)Cc1ccccc1C(F)(F)F ZINC000063023593 385205264 /nfs/dbraw/zinc/20/52/64/385205264.db2.gz YJUGHFICDPXBOW-UHFFFAOYSA-N 0 0 244.256 3.863 10 0 BHAERN FC(F)(F)c1ccccc1NCc1ccoc1 ZINC000063046564 180895880 /nfs/dbraw/zinc/89/58/80/180895880.db2.gz AQYHWGBTWCNBCQ-UHFFFAOYSA-N 0 0 241.212 3.911 10 0 BHAERN FC(F)(F)c1ccc(NCc2ccoc2)cc1 ZINC000063046588 180893873 /nfs/dbraw/zinc/89/38/73/180893873.db2.gz PNRHNHZEXGGGJO-UHFFFAOYSA-N 0 0 241.212 3.911 10 0 BHAERN CC(C)c1cc(Cl)nc(-c2ccoc2)n1 ZINC000063046745 350813395 /nfs/dbraw/zinc/81/33/95/350813395.db2.gz DILWYLPKYOMJJG-UHFFFAOYSA-N 0 0 222.675 3.513 10 0 BHAERN CCc1ccc([C@@H](C)Nc2ncc(C)cn2)cc1 ZINC000063048674 386541401 /nfs/dbraw/zinc/54/14/01/386541401.db2.gz HPNVCCXXKDWMEA-GFCCVEGCSA-N 0 0 241.338 3.521 10 0 BHAERN CCc1ccc([C@H](C)Nc2ncc(C)cn2)cc1 ZINC000063048675 386540161 /nfs/dbraw/zinc/54/01/61/386540161.db2.gz HPNVCCXXKDWMEA-LBPRGKRZSA-N 0 0 241.338 3.521 10 0 BHAERN Cc1cnc(N[C@@H](C)c2cccc(Cl)c2)nc1 ZINC000063048700 386540873 /nfs/dbraw/zinc/54/08/73/386540873.db2.gz XGXZALFDPKGZJI-JTQLQIEISA-N 0 0 247.729 3.612 10 0 BHAERN Cc1cc(-c2nc3ccc(N)cc3o2)ccc1F ZINC000063056724 177693219 /nfs/dbraw/zinc/69/32/19/177693219.db2.gz MPBHPIOJNFOSCI-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN Cc1cc(-c2n[nH]c(C3CCCC3)n2)ccc1F ZINC000063057606 349505019 /nfs/dbraw/zinc/50/50/19/349505019.db2.gz BJKGTDJGYAZCDU-UHFFFAOYSA-N 0 0 245.301 3.577 10 0 BHAERN Cc1cc(Br)cc2nc(Cl)oc21 ZINC000063061817 350949086 /nfs/dbraw/zinc/94/90/86/350949086.db2.gz HUXAOWIYKJQGPC-UHFFFAOYSA-N 0 0 246.491 3.552 10 0 BHAERN CC[C@@H](C)Oc1ccc(Br)cc1C ZINC000063062303 350948458 /nfs/dbraw/zinc/94/84/58/350948458.db2.gz ABYGRENRNMQXGG-SECBINFHSA-N 0 0 243.144 3.935 10 0 BHAERN CC[C@H](C)Oc1ccc(Br)cc1C ZINC000063062304 350948834 /nfs/dbraw/zinc/94/88/34/350948834.db2.gz ABYGRENRNMQXGG-VIFPVBQESA-N 0 0 243.144 3.935 10 0 BHAERN CC[C@H](C)CC(=O)c1ccc2ccccc2n1 ZINC000063075509 171263718 /nfs/dbraw/zinc/26/37/18/171263718.db2.gz XAGLXQOBEQSMJE-NSHDSACASA-N 0 0 227.307 3.854 10 0 BHAERN Cc1ccc(C(=O)c2ccc3ccccc3n2)cc1 ZINC000063075573 188253626 /nfs/dbraw/zinc/25/36/26/188253626.db2.gz AYBMGXUXYISYAY-UHFFFAOYSA-N 0 0 247.297 3.774 10 0 BHAERN Cc1ccccc1C(=O)c1ccc2ccccc2n1 ZINC000063075575 179253482 /nfs/dbraw/zinc/25/34/82/179253482.db2.gz GXLRYLZCSMULNA-UHFFFAOYSA-N 0 0 247.297 3.774 10 0 BHAERN Cc1cccc([C@H](O)c2ccc3ccccc3n2)c1 ZINC000063075675 179203669 /nfs/dbraw/zinc/20/36/69/179203669.db2.gz GHONLZZKGCKROL-KRWDZBQOSA-N 0 0 249.313 3.625 10 0 BHAERN Cc1cccc([C@@H](O)c2ccc3ccccc3n2)c1 ZINC000063075676 179188729 /nfs/dbraw/zinc/18/87/29/179188729.db2.gz GHONLZZKGCKROL-QGZVFWFLSA-N 0 0 249.313 3.625 10 0 BHAERN O[C@@H](c1ccc2ccccc2n1)C1CCCCC1 ZINC000063075745 183185712 /nfs/dbraw/zinc/18/57/12/183185712.db2.gz XDMLMWLMPAKRQO-MRXNPFEDSA-N 0 0 241.334 3.849 10 0 BHAERN O[C@H](c1ccc2ccccc2n1)C1CCCCC1 ZINC000063075746 183229214 /nfs/dbraw/zinc/22/92/14/183229214.db2.gz XDMLMWLMPAKRQO-INIZCTEOSA-N 0 0 241.334 3.849 10 0 BHAERN C[C@@](O)(c1cccs1)C1CCCCC1 ZINC000063076939 351071886 /nfs/dbraw/zinc/07/18/86/351071886.db2.gz SLTBOJZXOHZEFF-LBPRGKRZSA-N 0 0 210.342 3.536 10 0 BHAERN C[C@](O)(c1cccs1)C1CCCCC1 ZINC000063076942 351071972 /nfs/dbraw/zinc/07/19/72/351071972.db2.gz SLTBOJZXOHZEFF-GFCCVEGCSA-N 0 0 210.342 3.536 10 0 BHAERN CC[C@H](C)N(CC)c1nc2ccc(N)cc2s1 ZINC000063103441 171311965 /nfs/dbraw/zinc/31/19/65/171311965.db2.gz ZWDFSGFMWXXQRV-VIFPVBQESA-N 0 0 249.383 3.503 10 0 BHAERN CC(C)C[C@H](C)Nc1nc2ccc(N)cc2s1 ZINC000063103469 187273725 /nfs/dbraw/zinc/27/37/25/187273725.db2.gz KMSAKUQGMSWFLN-VIFPVBQESA-N 0 0 249.383 3.725 10 0 BHAERN Cc1cc2ccccc2nc1Nc1cccc(N)c1 ZINC000063105521 178299374 /nfs/dbraw/zinc/29/93/74/178299374.db2.gz DQDPSNFDTNFTJK-UHFFFAOYSA-N 0 0 249.317 3.869 10 0 BHAERN Cc1cc2ccccc2nc1N[C@@H](C)C1CC1 ZINC000063105728 178298676 /nfs/dbraw/zinc/29/86/76/178298676.db2.gz IGXBHNNODMOIIP-NSHDSACASA-N 0 0 226.323 3.754 10 0 BHAERN Cc1cc2ccccc2nc1N[C@H](C)C1CC1 ZINC000063105730 178298853 /nfs/dbraw/zinc/29/88/53/178298853.db2.gz IGXBHNNODMOIIP-LLVKDONJSA-N 0 0 226.323 3.754 10 0 BHAERN Cc1cc2ccccc2nc1N[C@@H]1CC1(C)C ZINC000063106099 178298700 /nfs/dbraw/zinc/29/87/00/178298700.db2.gz HPHIWRUGIFXZFQ-CYBMUJFWSA-N 0 0 226.323 3.754 10 0 BHAERN Cc1cc2ccccc2nc1N[C@H]1CC1(C)C ZINC000063106100 178298772 /nfs/dbraw/zinc/29/87/72/178298772.db2.gz HPHIWRUGIFXZFQ-ZDUSSCGKSA-N 0 0 226.323 3.754 10 0 BHAERN CCCN(CCC(C)C)c1ccccc1N ZINC000063113609 169139672 /nfs/dbraw/zinc/13/96/72/169139672.db2.gz KEQMEKPIRDUHAB-UHFFFAOYSA-N 0 0 220.360 3.531 10 0 BHAERN Cc1cc2cc(Cl)cc(F)c2nc1Cl ZINC000063116167 351211643 /nfs/dbraw/zinc/21/16/43/351211643.db2.gz HDXTZLFOESLYAU-UHFFFAOYSA-N 0 0 230.069 3.989 10 0 BHAERN CCc1cc2cc(C)cc(F)c2nc1Cl ZINC000063116186 351211378 /nfs/dbraw/zinc/21/13/78/351211378.db2.gz HBGITVQPWWLOIZ-UHFFFAOYSA-N 0 0 223.678 3.898 10 0 BHAERN Cc1cc2cc(F)c(F)c(F)c2nc1Cl ZINC000063116213 351211308 /nfs/dbraw/zinc/21/13/08/351211308.db2.gz JFPHQCVUXWVSFE-UHFFFAOYSA-N 0 0 231.604 3.614 10 0 BHAERN CCc1cc2cc(F)cc(F)c2nc1Cl ZINC000063116221 351211759 /nfs/dbraw/zinc/21/17/59/351211759.db2.gz DKXNWCVSEQWJOF-UHFFFAOYSA-N 0 0 227.641 3.729 10 0 BHAERN Cc1cc2c(Cl)ccc(F)c2nc1Cl ZINC000063116228 351211739 /nfs/dbraw/zinc/21/17/39/351211739.db2.gz UKHUIJZHKORLNR-UHFFFAOYSA-N 0 0 230.069 3.989 10 0 BHAERN Cc1ccc(F)c2nc(Cl)c(C)cc12 ZINC000063116240 351211355 /nfs/dbraw/zinc/21/13/55/351211355.db2.gz CSZQGAOBRGXHTG-UHFFFAOYSA-N 0 0 209.651 3.644 10 0 BHAERN Cc1cc2c(F)cc(F)c(F)c2nc1Cl ZINC000063116353 351211700 /nfs/dbraw/zinc/21/17/00/351211700.db2.gz DEZKVYCZSVVEQZ-UHFFFAOYSA-N 0 0 231.604 3.614 10 0 BHAERN Cc1cc2c(F)c(F)cc(F)c2nc1Cl ZINC000063116361 351211506 /nfs/dbraw/zinc/21/15/06/351211506.db2.gz AOPMINDNGOCRJS-UHFFFAOYSA-N 0 0 231.604 3.614 10 0 BHAERN Cc1cc2ccc(F)c(C)c2nc1Cl ZINC000063116377 351211430 /nfs/dbraw/zinc/21/14/30/351211430.db2.gz VDSJHXQYCGHZDJ-UHFFFAOYSA-N 0 0 209.651 3.644 10 0 BHAERN CCCc1cc2cccc(COC)c2nc1Cl ZINC000063116614 169568473 /nfs/dbraw/zinc/56/84/73/169568473.db2.gz SVQLIVNPQLBTAG-UHFFFAOYSA-N 0 0 249.741 3.987 10 0 BHAERN CCNc1nc2cc(F)cc(F)c2cc1CC ZINC000063116745 170177616 /nfs/dbraw/zinc/17/76/16/170177616.db2.gz MLKKXLYCBWDTBT-UHFFFAOYSA-N 0 0 236.265 3.507 10 0 BHAERN CCCOc1cccc2cc(C)c(NCC)nc21 ZINC000063116907 169326958 /nfs/dbraw/zinc/32/69/58/169326958.db2.gz CNOOGCSUAYQPOU-UHFFFAOYSA-N 0 0 244.338 3.764 10 0 BHAERN CCNc1nc2c(C)ccc(F)c2cc1CC ZINC000063117033 170177417 /nfs/dbraw/zinc/17/74/17/170177417.db2.gz PEEBLPYBZKHDFI-UHFFFAOYSA-N 0 0 232.302 3.677 10 0 BHAERN CCNc1nc2ccc(F)cc2cc1C(C)C ZINC000063117224 170177719 /nfs/dbraw/zinc/17/77/19/170177719.db2.gz LNYNKRQATHZPID-UHFFFAOYSA-N 0 0 232.302 3.929 10 0 BHAERN CNc1nc2ccc(C(C)(C)C)cc2cc1C ZINC000063117364 173488141 /nfs/dbraw/zinc/48/81/41/173488141.db2.gz SFANUDLKHDNVAH-UHFFFAOYSA-N 0 0 228.339 3.882 10 0 BHAERN CCc1cc2cc([C@@H](C)CC)ccc2nc1N ZINC000063117552 171776290 /nfs/dbraw/zinc/77/62/90/171776290.db2.gz CCTAAFWHQWELKE-JTQLQIEISA-N 0 0 228.339 3.893 10 0 BHAERN CCNc1nc2c(F)ccc(C)c2cc1CC ZINC000063117738 170176767 /nfs/dbraw/zinc/17/67/67/170176767.db2.gz UTOLHLIPLMOZOD-UHFFFAOYSA-N 0 0 232.302 3.677 10 0 BHAERN CCNc1nc2c(C)cc(F)cc2cc1CC ZINC000063117817 170176688 /nfs/dbraw/zinc/17/66/88/170176688.db2.gz DQQVNYNLSQGMCG-UHFFFAOYSA-N 0 0 232.302 3.677 10 0 BHAERN CNc1nc2c(F)ccc(F)c2cc1C(C)C ZINC000063118093 173487065 /nfs/dbraw/zinc/48/70/65/173487065.db2.gz XWMZPKRJDMFKIJ-UHFFFAOYSA-N 0 0 236.265 3.678 10 0 BHAERN CCCNc1nc2c(cccc2OC)cc1CC ZINC000063118491 169295533 /nfs/dbraw/zinc/29/55/33/169295533.db2.gz ZILKEJXBYIIDIO-UHFFFAOYSA-N 0 0 244.338 3.628 10 0 BHAERN CCCOc1ccc2nc(N)c(CCC)cc2c1 ZINC000063118617 169324038 /nfs/dbraw/zinc/32/40/38/169324038.db2.gz IPOMYJJWYPDQFD-UHFFFAOYSA-N 0 0 244.338 3.558 10 0 BHAERN CCCNc1nc2c(C)cc(OC)cc2cc1C ZINC000063118651 169296150 /nfs/dbraw/zinc/29/61/50/169296150.db2.gz GTIZZAYOUWWTAO-UHFFFAOYSA-N 0 0 244.338 3.682 10 0 BHAERN CCNc1nc2c(ccc(F)c2C)cc1CC ZINC000063118800 170176645 /nfs/dbraw/zinc/17/66/45/170176645.db2.gz YQQIGYPAPPYKAE-UHFFFAOYSA-N 0 0 232.302 3.677 10 0 BHAERN Cc1ccc(NCC2CCC(C)CC2)nc1 ZINC000063145986 641137738 /nfs/dbraw/zinc/13/77/38/641137738.db2.gz YSWJWYJQIMDCFI-UHFFFAOYSA-N 0 0 218.344 3.628 10 0 BHAERN CC[C@H](C)C[C@H](O)[C@@H]1CCCc2ccccc21 ZINC000063157562 171299219 /nfs/dbraw/zinc/29/92/19/171299219.db2.gz URKLAJSIPKZYRG-MAZHCROVSA-N 0 0 232.367 3.904 10 0 BHAERN CC[C@H](C)C[C@@H](O)[C@@H]1CCCc2ccccc21 ZINC000063157564 171296157 /nfs/dbraw/zinc/29/61/57/171296157.db2.gz URKLAJSIPKZYRG-APHBMKBZSA-N 0 0 232.367 3.904 10 0 BHAERN Cc1cc(C(F)(F)F)cc(Cl)c1F ZINC000063772421 356449370 /nfs/dbraw/zinc/44/93/70/356449370.db2.gz GHNWKTJBZLBIEH-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN CCOc1cc(Cl)ccc1Br ZINC000063772430 353616252 /nfs/dbraw/zinc/61/62/52/353616252.db2.gz JTJMVAUHGCDHCR-UHFFFAOYSA-N 0 0 235.508 3.501 10 0 BHAERN Cc1cccc(-c2cncc(Br)c2)c1 ZINC000064034340 385243420 /nfs/dbraw/zinc/24/34/20/385243420.db2.gz QAPUPMZZGCYQSF-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN c1nc2c(cccc2OCc2ccccc2)s1 ZINC000064526925 385266488 /nfs/dbraw/zinc/26/64/88/385266488.db2.gz BRPBHKWALVPGPL-UHFFFAOYSA-N 0 0 241.315 3.875 10 0 BHAERN Oc1ccc2nc(Oc3ccccc3)ccc2c1 ZINC000064624638 370351730 /nfs/dbraw/zinc/35/17/30/370351730.db2.gz QHNANNHKHGSUND-UHFFFAOYSA-N 0 0 237.258 3.733 10 0 in-vitro BHAERN CC(=O)Nc1nc2ccc(C(C)(C)C)cc2s1 ZINC000065003298 187440854 /nfs/dbraw/zinc/44/08/54/187440854.db2.gz FTKHUNHRECXFHK-UHFFFAOYSA-N 0 0 248.351 3.552 10 0 BHAERN Oc1cccnc1-c1ccc2ccccc2c1 ZINC000065339263 187273911 /nfs/dbraw/zinc/27/39/11/187273911.db2.gz VKGNBIWCZGKRJH-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN Oc1cncc(-c2ccc3ccccc3c2)c1 ZINC000065339265 183305717 /nfs/dbraw/zinc/30/57/17/183305717.db2.gz FOXOPBOTUCTZLL-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN Oc1cncc(-c2cc3ccccc3s2)c1 ZINC000065339298 183304950 /nfs/dbraw/zinc/30/49/50/183304950.db2.gz WNUQYHSZGFUBKR-UHFFFAOYSA-N 0 0 227.288 3.669 10 0 BHAERN CC(C)(C)c1ccc(-c2cncc(O)c2)cc1 ZINC000065339303 188129341 /nfs/dbraw/zinc/12/93/41/188129341.db2.gz TUWHXOILCSNNQB-UHFFFAOYSA-N 0 0 227.307 3.752 10 0 BHAERN CCSc1ccc(-c2ncccc2O)cc1 ZINC000065339364 170653887 /nfs/dbraw/zinc/65/38/87/170653887.db2.gz DQOXSDSEFWOROC-UHFFFAOYSA-N 0 0 231.320 3.566 10 0 BHAERN Oc1cccnc1-c1cccc2ccccc21 ZINC000065339388 188304324 /nfs/dbraw/zinc/30/43/24/188304324.db2.gz SBGGIFYXYWBDKN-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN Oc1cncc(-c2cccc3ccccc32)c1 ZINC000065339389 183305334 /nfs/dbraw/zinc/30/53/34/183305334.db2.gz UOEHUQMDOGOPOE-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN Oc1cncc(-c2cccc(Cl)c2Cl)c1 ZINC000065339438 183305553 /nfs/dbraw/zinc/30/55/53/183305553.db2.gz ZISLNMBPBIRIJR-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN Oc1cncc(-c2ccc(Cl)cc2Cl)c1 ZINC000065339444 183305091 /nfs/dbraw/zinc/30/50/91/183305091.db2.gz JPLHNIVVWHNQLT-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN Oc1cccnc1-c1cc(Cl)ccc1Cl ZINC000065339447 187440938 /nfs/dbraw/zinc/44/09/38/187440938.db2.gz LXFCOQINEGOBQZ-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN Oc1cncc(-c2cc(Cl)ccc2Cl)c1 ZINC000065339449 183305670 /nfs/dbraw/zinc/30/56/70/183305670.db2.gz ZSWXEZWSWJYBBW-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN Oc1cccnc1-c1ccc(Cl)c(Cl)c1 ZINC000065339453 187274024 /nfs/dbraw/zinc/27/40/24/187274024.db2.gz FTNIXZBHRDNPGB-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN Oc1cncc(-c2ccc(Cl)c(Cl)c2)c1 ZINC000065339455 183304651 /nfs/dbraw/zinc/30/46/51/183304651.db2.gz FBWJZKCTBKNONB-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN Oc1cccnc1-c1cc(Cl)cc(Cl)c1 ZINC000065339459 187958533 /nfs/dbraw/zinc/95/85/33/187958533.db2.gz XYRZKQXGBFRTFR-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN Oc1cncc(-c2cc(Cl)cc(Cl)c2)c1 ZINC000065339461 183305456 /nfs/dbraw/zinc/30/54/56/183305456.db2.gz WADPYCQXWOMHOY-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN CCOc1ccc(-c2ncccc2O)c(Cl)c1 ZINC000065339535 170532891 /nfs/dbraw/zinc/53/28/91/170532891.db2.gz VVDMTADCJKXQTF-UHFFFAOYSA-N 0 0 249.697 3.506 10 0 BHAERN Cc1ccc(-c2ccccc2O)c(F)c1 ZINC000065339937 178328291 /nfs/dbraw/zinc/32/82/91/178328291.db2.gz AELLTRFNXPNVAP-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(-c2cccc(O)c2)c(F)c1 ZINC000065339938 178326885 /nfs/dbraw/zinc/32/68/85/178326885.db2.gz QTMKNGFKEOVUGD-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(-c2ccc(O)cc2)c(F)c1 ZINC000065339939 178325232 /nfs/dbraw/zinc/32/52/32/178325232.db2.gz DZULHEZKCRLDTQ-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(F)c(-c2ccccc2O)c1 ZINC000065339940 178667522 /nfs/dbraw/zinc/66/75/22/178667522.db2.gz YVBDPMQYSNLUCL-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1c(F)cccc1-c1ccc(O)cc1 ZINC000065339945 177606824 /nfs/dbraw/zinc/60/68/24/177606824.db2.gz WYVJJQVAFDMTEI-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(-c2ccccc2O)cc1F ZINC000065339946 178327424 /nfs/dbraw/zinc/32/74/24/178327424.db2.gz HSHUTUPJCCXDOP-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(F)cc1-c1ccccc1O ZINC000065339951 178681386 /nfs/dbraw/zinc/68/13/86/178681386.db2.gz VWMODTQRHLVISV-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(F)cc1-c1cccc(O)c1 ZINC000065339952 178681145 /nfs/dbraw/zinc/68/11/45/178681145.db2.gz PJCZKRSZARCUDI-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN CSc1cccc(-c2cccc(O)c2)c1 ZINC000065339994 385083960 /nfs/dbraw/zinc/08/39/60/385083960.db2.gz WJBKRJXVRMJFFQ-UHFFFAOYSA-N 0 0 216.305 3.781 10 0 BHAERN CSc1cccc(-c2ccc(O)cc2)c1 ZINC000065339995 385084014 /nfs/dbraw/zinc/08/40/14/385084014.db2.gz PPKUNSKCGLTKBK-UHFFFAOYSA-N 0 0 216.305 3.781 10 0 BHAERN Oc1ccccc1-c1cc(F)cc(Cl)c1 ZINC000065340033 183298333 /nfs/dbraw/zinc/29/83/33/183298333.db2.gz AFTLRWWVNALZHJ-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN CCOc1ccc(-c2ccccc2O)c(C)c1 ZINC000065340048 170532100 /nfs/dbraw/zinc/53/21/00/170532100.db2.gz NFBOOIFCPMMSOA-UHFFFAOYSA-N 0 0 228.291 3.766 10 0 BHAERN COc1ccc(Cl)c(-c2ccccc2O)c1 ZINC000065340075 188303987 /nfs/dbraw/zinc/30/39/87/188303987.db2.gz CNFNKJXVLVHXDF-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(Cl)c(-c2ccc(O)cc2)c1 ZINC000065340077 322945901 /nfs/dbraw/zinc/94/59/01/322945901.db2.gz XGEVLALAMRTIGY-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(-c2ccccc2O)cc1Cl ZINC000065340078 175035248 /nfs/dbraw/zinc/03/52/48/175035248.db2.gz HUAPGVFDMKSDAN-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(-c2cccc(O)c2)cc1Cl ZINC000065340079 175034789 /nfs/dbraw/zinc/03/47/89/175034789.db2.gz RYBNCWQKTSQUPU-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(Cl)cc1-c1ccccc1O ZINC000065340083 175119827 /nfs/dbraw/zinc/11/98/27/175119827.db2.gz JTGBOUZDGQXVJF-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(Cl)cc1-c1cccc(O)c1 ZINC000065340084 175119582 /nfs/dbraw/zinc/11/95/82/175119582.db2.gz NICBOTGWPOHQFL-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN Cc1cc(-c2ccccc2F)ccc1O ZINC000065340227 177687039 /nfs/dbraw/zinc/68/70/39/177687039.db2.gz QEGKAOBSURMSJX-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(-c2ccccc2F)cc1O ZINC000065340228 178326291 /nfs/dbraw/zinc/32/62/91/178326291.db2.gz DZALCDQGFVFDBZ-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1cc(O)cc(-c2ccccc2F)c1 ZINC000065340229 187785363 /nfs/dbraw/zinc/78/53/63/187785363.db2.gz HMXIOBAEYHQKJI-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(-c2cccc(F)c2)cc1O ZINC000065340231 178326947 /nfs/dbraw/zinc/32/69/47/178326947.db2.gz XLZCSFYKLSWCHP-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1cc(O)cc(-c2cccc(F)c2)c1 ZINC000065340232 188129759 /nfs/dbraw/zinc/12/97/59/188129759.db2.gz LOCMHHCIWDBONV-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(-c2ccc(F)cc2)cc1O ZINC000065340234 178323668 /nfs/dbraw/zinc/32/36/68/178323668.db2.gz JUSSSMXGCAPLCJ-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1cc(O)cc(-c2ccc(F)cc2)c1 ZINC000065340235 187958100 /nfs/dbraw/zinc/95/81/00/187958100.db2.gz GZKNSPCLWFFYDI-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1cccc(-c2ccc(C)c(O)c2)c1C ZINC000065340255 178326990 /nfs/dbraw/zinc/32/69/90/178326990.db2.gz JYMFRVQPSSPYLR-UHFFFAOYSA-N 0 0 212.292 3.984 10 0 BHAERN Cc1ccc(C)c(-c2cc(C)cc(O)c2)c1 ZINC000065340259 178198648 /nfs/dbraw/zinc/19/86/48/178198648.db2.gz ZCKMWVLLVRWODB-UHFFFAOYSA-N 0 0 212.292 3.984 10 0 BHAERN CCc1ccc(-c2ccc(O)c(C)c2)cc1 ZINC000065340260 171778507 /nfs/dbraw/zinc/77/85/07/171778507.db2.gz VXKXXZUWLOJRMY-UHFFFAOYSA-N 0 0 212.292 3.930 10 0 BHAERN Cc1ccc(-c2ccc(O)c(C)c2)c(C)c1 ZINC000065340263 178325453 /nfs/dbraw/zinc/32/54/53/178325453.db2.gz BQWHWJKCFZOQDK-UHFFFAOYSA-N 0 0 212.292 3.984 10 0 BHAERN Cc1ccc(-c2ccc(C)c(O)c2)c(C)c1 ZINC000065340264 178324233 /nfs/dbraw/zinc/32/42/33/178324233.db2.gz KOVOQWWKMNTEMQ-UHFFFAOYSA-N 0 0 212.292 3.984 10 0 BHAERN Cc1ccc(-c2cc(C)cc(O)c2)c(C)c1 ZINC000065340265 188303968 /nfs/dbraw/zinc/30/39/68/188303968.db2.gz LCYPEOSPUSJJNM-UHFFFAOYSA-N 0 0 212.292 3.984 10 0 BHAERN Cc1cc(C)cc(-c2ccc(O)c(C)c2)c1 ZINC000065340266 177889146 /nfs/dbraw/zinc/88/91/46/177889146.db2.gz BPAJCDOWDGXCOT-UHFFFAOYSA-N 0 0 212.292 3.984 10 0 BHAERN Cc1ccc(-c2ccc(O)c(C)c2)c(F)c1 ZINC000065340286 178325693 /nfs/dbraw/zinc/32/56/93/178325693.db2.gz ARHZOKBXEBNVHE-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(-c2ccc(C)c(O)c2)c(F)c1 ZINC000065340287 178324240 /nfs/dbraw/zinc/32/42/40/178324240.db2.gz ZXRJTAHBUXZYFJ-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(F)c(-c2ccc(C)c(O)c2)c1 ZINC000065340290 178667593 /nfs/dbraw/zinc/66/75/93/178667593.db2.gz ZUESSSKTGJJTLY-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(F)c(-c2cc(C)cc(O)c2)c1 ZINC000065340291 178198330 /nfs/dbraw/zinc/19/83/30/178198330.db2.gz RJZPOXLGQPCTEE-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(-c2cccc(F)c2C)cc1O ZINC000065340293 178326366 /nfs/dbraw/zinc/32/63/66/178326366.db2.gz LVARQCYZTGOIID-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(-c2ccc(O)c(C)c2)cc1F ZINC000065340295 177682200 /nfs/dbraw/zinc/68/22/00/177682200.db2.gz RPAVBBCZOZPFSE-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(-c2ccc(C)c(F)c2)cc1O ZINC000065340296 178324626 /nfs/dbraw/zinc/32/46/26/178324626.db2.gz IHSYKHOSFXXJEY-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(-c2ccc(F)c(C)c2)cc1O ZINC000065340299 178323693 /nfs/dbraw/zinc/32/36/93/178323693.db2.gz WDVGHQIEQKFQRS-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1cc(-c2cc(F)ccc2C)ccc1O ZINC000065340301 177682992 /nfs/dbraw/zinc/68/29/92/177682992.db2.gz IXEMGZMTOANKMK-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(-c2cc(F)ccc2C)cc1O ZINC000065340302 178321219 /nfs/dbraw/zinc/32/12/19/178321219.db2.gz OBGBUKJRVPIDKL-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1cc(O)cc(-c2cc(F)ccc2C)c1 ZINC000065340303 178198481 /nfs/dbraw/zinc/19/84/81/178198481.db2.gz VQAPZCLHNNBLCC-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(-c2ccc(F)cc2F)cc1O ZINC000065340331 178326003 /nfs/dbraw/zinc/32/60/03/178326003.db2.gz NPPGQZHOSCCVRF-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1cc(O)cc(-c2ccc(F)cc2F)c1 ZINC000065340332 187274377 /nfs/dbraw/zinc/27/43/77/187274377.db2.gz ALMWFPLJOWZJRI-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2ccc(F)c(F)c2)cc1O ZINC000065340334 178324439 /nfs/dbraw/zinc/32/44/39/178324439.db2.gz MUTBEPPRNKIAGN-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1cc(O)cc(-c2ccc(F)c(F)c2)c1 ZINC000065340335 188129072 /nfs/dbraw/zinc/12/90/72/188129072.db2.gz DXHCVYQCRHVOKP-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2cc(F)cc(F)c2)cc1O ZINC000065340337 178321431 /nfs/dbraw/zinc/32/14/31/178321431.db2.gz QEBXPHLZOYLNCS-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1cc(O)cc(-c2cc(F)cc(F)c2)c1 ZINC000065340338 178198812 /nfs/dbraw/zinc/19/88/12/178198812.db2.gz ZEBRBSNZGGWEKS-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2cccc(F)c2F)cc1O ZINC000065340340 178326832 /nfs/dbraw/zinc/32/68/32/178326832.db2.gz ACYFBVLAWHVSRJ-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2c(F)cccc2F)cc1O ZINC000065340343 178317797 /nfs/dbraw/zinc/31/77/97/178317797.db2.gz GFHLKMWUOYEEKI-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1cc(O)cc(-c2c(F)cccc2F)c1 ZINC000065340344 178198324 /nfs/dbraw/zinc/19/83/24/178198324.db2.gz KTOXNDPJDBVQII-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1cc(-c2cc(F)ccc2F)ccc1O ZINC000065340345 177682285 /nfs/dbraw/zinc/68/22/85/177682285.db2.gz UDJYLJAOOJUCNG-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2cc(F)ccc2F)cc1O ZINC000065340346 178321139 /nfs/dbraw/zinc/32/11/39/178321139.db2.gz XFDCQTBIURPWQW-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1cc(O)cc(-c2cc(F)ccc2F)c1 ZINC000065340347 178198356 /nfs/dbraw/zinc/19/83/56/178198356.db2.gz UFKYRIMHJRCYBD-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN CC(=O)c1cccc(-c2ccc(O)c(C)c2)c1 ZINC000065340348 166470070 /nfs/dbraw/zinc/47/00/70/166470070.db2.gz UYMBXEAQEUFEEG-UHFFFAOYSA-N 0 0 226.275 3.570 10 0 BHAERN CC(=O)c1cccc(-c2ccc(C)c(O)c2)c1 ZINC000065340349 166470049 /nfs/dbraw/zinc/47/00/49/166470049.db2.gz DVWFEERYZDWRGI-UHFFFAOYSA-N 0 0 226.275 3.570 10 0 BHAERN COc1ccc(C)cc1-c1ccc(O)c(C)c1 ZINC000065340372 175072545 /nfs/dbraw/zinc/07/25/45/175072545.db2.gz RNTRSCWAJOCPPL-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1ccc(C)cc1-c1ccc(C)c(O)c1 ZINC000065340373 175072433 /nfs/dbraw/zinc/07/24/33/175072433.db2.gz VFTVOPAMOLLHHA-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1ccc(C)cc1-c1cc(C)cc(O)c1 ZINC000065340374 175071590 /nfs/dbraw/zinc/07/15/90/175071590.db2.gz FPSGTQJNXMRGGJ-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1ccc(-c2ccc(O)c(C)c2)c(C)c1 ZINC000065340375 175034597 /nfs/dbraw/zinc/03/45/97/175034597.db2.gz MQWBJLRYILQVAY-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1ccc(-c2ccc(C)c(O)c2)c(C)c1 ZINC000065340376 175032971 /nfs/dbraw/zinc/03/29/71/175032971.db2.gz DZNYBMQOFATMKP-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1ccc(-c2cc(C)cc(O)c2)c(C)c1 ZINC000065340377 175030722 /nfs/dbraw/zinc/03/07/22/175030722.db2.gz OZCXNYKDGGJPPO-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1ccc(-c2ccc(C)c(O)c2)cc1C ZINC000065340379 175033066 /nfs/dbraw/zinc/03/30/66/175033066.db2.gz XFLUGFXZLFFOPX-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1ccc(-c2cc(C)cc(O)c2)cc1C ZINC000065340380 175031078 /nfs/dbraw/zinc/03/10/78/175031078.db2.gz ODWMSHRHFOQITO-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1cccc(-c2ccc(O)c(C)c2)c1F ZINC000065340396 175234775 /nfs/dbraw/zinc/23/47/75/175234775.db2.gz KAVYIPBJKBUPMM-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1cccc(-c2ccc(C)c(O)c2)c1F ZINC000065340397 175234584 /nfs/dbraw/zinc/23/45/84/175234584.db2.gz WUTBZDCSKQBJPL-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1cccc(-c2cc(C)cc(O)c2)c1F ZINC000065340398 175233062 /nfs/dbraw/zinc/23/30/62/175233062.db2.gz BDKIWEWYJPSQOB-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(O)c(C)c2)c(F)c1 ZINC000065340399 175034386 /nfs/dbraw/zinc/03/43/86/175034386.db2.gz PYPZRNIVDVCMRW-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(C)c(O)c2)c(F)c1 ZINC000065340400 175033178 /nfs/dbraw/zinc/03/31/78/175033178.db2.gz JCRHKCIPXIWIRZ-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2cc(C)cc(O)c2)c(F)c1 ZINC000065340401 175030943 /nfs/dbraw/zinc/03/09/43/175030943.db2.gz TYBXJRFAFIJVDA-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(F)c(-c2ccc(O)c(C)c2)c1 ZINC000065340402 175124170 /nfs/dbraw/zinc/12/41/70/175124170.db2.gz MDALPJZAXNLMJJ-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(F)c(-c2ccc(C)c(O)c2)c1 ZINC000065340403 175124051 /nfs/dbraw/zinc/12/40/51/175124051.db2.gz SFLOTJVNZBDPTB-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(F)c(-c2cc(C)cc(O)c2)c1 ZINC000065340404 175124318 /nfs/dbraw/zinc/12/43/18/175124318.db2.gz PYTWACJCSJJIJV-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(O)c(C)c2)cc1F ZINC000065340405 175034229 /nfs/dbraw/zinc/03/42/29/175034229.db2.gz LALADWRFKYMEMB-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(C)c(O)c2)cc1F ZINC000065340406 175033348 /nfs/dbraw/zinc/03/33/48/175033348.db2.gz JBLOFPAMJOCUCQ-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2cc(C)cc(O)c2)cc1F ZINC000065340407 175031104 /nfs/dbraw/zinc/03/11/04/175031104.db2.gz LNVWPQWUAPUWRN-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1cc(-c2ccc(C)c(O)c2)ccc1F ZINC000065340409 174937979 /nfs/dbraw/zinc/93/79/79/174937979.db2.gz XRKZGMIBYIKEDO-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1cc(-c2cc(C)cc(O)c2)ccc1F ZINC000065340410 174937454 /nfs/dbraw/zinc/93/74/54/174937454.db2.gz VRMICNLUKWDWFG-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(F)cc1-c1ccc(O)c(C)c1 ZINC000065340411 175127383 /nfs/dbraw/zinc/12/73/83/175127383.db2.gz APECLKCQISSHPC-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(F)cc1-c1ccc(C)c(O)c1 ZINC000065340412 175127354 /nfs/dbraw/zinc/12/73/54/175127354.db2.gz KWTFCFNWGGEZOH-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(F)cc1-c1cc(C)cc(O)c1 ZINC000065340413 175127610 /nfs/dbraw/zinc/12/76/10/175127610.db2.gz AVZRWNFYUZELCR-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN Cc1ccc(-c2cc(O)ccc2Cl)cc1O ZINC000065340439 178322083 /nfs/dbraw/zinc/32/20/83/178322083.db2.gz BMHQMRZULKNYAS-UHFFFAOYSA-N 0 0 234.682 3.727 10 0 BHAERN Cc1ccc(-c2c(F)cc(F)cc2F)cc1O ZINC000065340448 178317415 /nfs/dbraw/zinc/31/74/15/178317415.db2.gz UMAOHGJQRXESLH-UHFFFAOYSA-N 0 0 238.208 3.785 10 0 BHAERN Cc1cc(O)cc(-c2c(F)cc(F)cc2F)c1 ZINC000065340449 178198523 /nfs/dbraw/zinc/19/85/23/178198523.db2.gz HTEDCVYWLGLIIS-UHFFFAOYSA-N 0 0 238.208 3.785 10 0 BHAERN Cc1ccccc1-c1ccc(F)c(O)c1 ZINC000065340685 179235136 /nfs/dbraw/zinc/23/51/36/179235136.db2.gz UECIFVGHJDWJFG-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccccc1-c1ccc(O)cc1F ZINC000065340686 179236482 /nfs/dbraw/zinc/23/64/82/179236482.db2.gz LGUIHYDWJNZYBE-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccccc1-c1cc(O)cc(F)c1 ZINC000065340687 179235444 /nfs/dbraw/zinc/23/54/44/179235444.db2.gz XZWJRSMJSJMLTH-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(-c2ccc(F)c(O)c2)cc1 ZINC000065340693 178323905 /nfs/dbraw/zinc/32/39/05/178323905.db2.gz OASXCAAMXLHTEH-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(-c2ccc(O)cc2F)cc1 ZINC000065340694 178325945 /nfs/dbraw/zinc/32/59/45/178325945.db2.gz NYMCNWRWPREADM-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(-c2cc(O)cc(F)c2)cc1 ZINC000065340695 178321864 /nfs/dbraw/zinc/32/18/64/178321864.db2.gz WCAWKFWZHNCLGB-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(-c2ccc(F)c(O)c2)c(C)c1 ZINC000065340735 178324538 /nfs/dbraw/zinc/32/45/38/178324538.db2.gz TVSAJTYYYWADRV-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(-c2ccc(O)cc2F)c(C)c1 ZINC000065340736 178325178 /nfs/dbraw/zinc/32/51/78/178325178.db2.gz XQBYSTNNVWVUPC-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(-c2cc(O)cc(F)c2)c(C)c1 ZINC000065340737 178320916 /nfs/dbraw/zinc/32/09/16/178320916.db2.gz OATUZSJVGKPAEH-UHFFFAOYSA-N 0 0 216.255 3.815 10 0 BHAERN Cc1ccc(-c2ccc(O)c(F)c2)c(F)c1 ZINC000065340766 178325928 /nfs/dbraw/zinc/32/59/28/178325928.db2.gz NZMGZGBFGBCMCM-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2ccc(F)c(O)c2)c(F)c1 ZINC000065340767 178324294 /nfs/dbraw/zinc/32/42/94/178324294.db2.gz DMTCQGUSCGNYIL-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2ccc(O)cc2F)c(F)c1 ZINC000065340768 178325193 /nfs/dbraw/zinc/32/51/93/178325193.db2.gz KRJWQFSVOBPEPB-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2cc(O)cc(F)c2)c(F)c1 ZINC000065340769 178322187 /nfs/dbraw/zinc/32/21/87/178322187.db2.gz VHYHBLFAEPZXOC-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2ccc(O)c(F)c2)cc1F ZINC000065340778 178325993 /nfs/dbraw/zinc/32/59/93/178325993.db2.gz AEVGZLCEESOYCF-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2ccc(F)c(O)c2)cc1F ZINC000065340779 178324227 /nfs/dbraw/zinc/32/42/27/178324227.db2.gz RSNZHKZUGFDMHU-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2ccc(O)cc2F)cc1F ZINC000065340780 178325027 /nfs/dbraw/zinc/32/50/27/178325027.db2.gz HKDUUEFWIVZNOL-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Cc1ccc(-c2cc(O)cc(F)c2)cc1F ZINC000065340781 178321532 /nfs/dbraw/zinc/32/15/32/178321532.db2.gz ZJXHVTTWKNXAAT-UHFFFAOYSA-N 0 0 220.218 3.646 10 0 BHAERN Oc1cc(-c2ccccc2Cl)ccc1F ZINC000065340812 183257688 /nfs/dbraw/zinc/25/76/88/183257688.db2.gz LEDXLQZXCJXUBU-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Oc1ccc(-c2ccccc2Cl)c(F)c1 ZINC000065340813 183264855 /nfs/dbraw/zinc/26/48/55/183264855.db2.gz CWJKZUZXBFBMGK-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Oc1cc(F)cc(-c2ccccc2Cl)c1 ZINC000065340814 183259231 /nfs/dbraw/zinc/25/92/31/183259231.db2.gz ZROJJFLCDYAWHI-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Oc1cc(-c2cccc(Cl)c2)ccc1F ZINC000065340815 183254363 /nfs/dbraw/zinc/25/43/63/183254363.db2.gz FLBJISHMBYCNCS-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Oc1cc(F)cc(-c2cccc(Cl)c2)c1 ZINC000065340816 183258049 /nfs/dbraw/zinc/25/80/49/183258049.db2.gz HVXISQOUDAXQKC-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Oc1cc(-c2ccc(Cl)cc2)ccc1F ZINC000065340818 183254705 /nfs/dbraw/zinc/25/47/05/183254705.db2.gz OVKLJXIIGTXBNM-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Oc1ccc(-c2ccc(Cl)cc2)c(F)c1 ZINC000065340819 183264365 /nfs/dbraw/zinc/26/43/65/183264365.db2.gz BQQGHAOKXPFFIP-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN Oc1cc(F)cc(-c2ccc(Cl)cc2)c1 ZINC000065340820 183257932 /nfs/dbraw/zinc/25/79/32/183257932.db2.gz YWTJAAHKQALUIH-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN COc1ccc(C)cc1-c1ccc(O)c(F)c1 ZINC000065340868 175072029 /nfs/dbraw/zinc/07/20/29/175072029.db2.gz KXRAZLYAJHRGJV-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(C)cc1-c1ccc(F)c(O)c1 ZINC000065340869 175072634 /nfs/dbraw/zinc/07/26/34/175072634.db2.gz YYIIWNUUIXPGNN-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(C)cc1-c1ccc(O)cc1F ZINC000065340870 175072445 /nfs/dbraw/zinc/07/24/45/175072445.db2.gz YCFHSXZGDQAZPA-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(C)cc1-c1cc(O)cc(F)c1 ZINC000065340871 175071381 /nfs/dbraw/zinc/07/13/81/175071381.db2.gz FFWWSJDHIABXDF-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(O)c(F)c2)c(C)c1 ZINC000065340872 175034603 /nfs/dbraw/zinc/03/46/03/175034603.db2.gz DMJXTZHAUUCCEA-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(F)c(O)c2)c(C)c1 ZINC000065340873 175033131 /nfs/dbraw/zinc/03/31/31/175033131.db2.gz QOXAABJIKWYDHR-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(O)cc2F)c(C)c1 ZINC000065340874 175034201 /nfs/dbraw/zinc/03/42/01/175034201.db2.gz GASCJLDBQIQBGQ-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2cc(O)cc(F)c2)c(C)c1 ZINC000065340875 175032747 /nfs/dbraw/zinc/03/27/47/175032747.db2.gz DABCZYBZICVBOK-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(O)c(F)c2)cc1C ZINC000065340876 175034512 /nfs/dbraw/zinc/03/45/12/175034512.db2.gz TWVMUTSILDKAFI-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(F)c(O)c2)cc1C ZINC000065340877 175033392 /nfs/dbraw/zinc/03/33/92/175033392.db2.gz OAKIXGSVIYIKAB-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(O)cc2F)cc1C ZINC000065340878 175034575 /nfs/dbraw/zinc/03/45/75/175034575.db2.gz LYBIZCNNPKSYMJ-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2cc(O)cc(F)c2)cc1C ZINC000065340879 175032270 /nfs/dbraw/zinc/03/22/70/175032270.db2.gz QNNPYQWLSYVNOB-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN CCOc1cccc(-c2ccc(O)cc2F)c1 ZINC000065340882 170572064 /nfs/dbraw/zinc/57/20/64/170572064.db2.gz FHABCISDQOZFHP-UHFFFAOYSA-N 0 0 232.254 3.597 10 0 BHAERN Oc1ccc(Cl)c(-c2ccc(O)c(F)c2)c1 ZINC000065340955 183272479 /nfs/dbraw/zinc/27/24/79/183272479.db2.gz IBBVBGPEMYQVNM-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1ccc(Cl)c(-c2ccc(F)c(O)c2)c1 ZINC000065340956 183272272 /nfs/dbraw/zinc/27/22/72/183272272.db2.gz UWKRKOMIFGJEIW-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1ccc(-c2cc(O)ccc2Cl)c(F)c1 ZINC000065340957 183264875 /nfs/dbraw/zinc/26/48/75/183264875.db2.gz XVJCQXHBKHMAQE-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1ccc(Cl)c(-c2cc(O)cc(F)c2)c1 ZINC000065340958 183259425 /nfs/dbraw/zinc/25/94/25/183259425.db2.gz PIGCEBKTKAQCIH-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1ccc(-c2cc(F)cc(Cl)c2)cc1F ZINC000065340959 183263878 /nfs/dbraw/zinc/26/38/78/183263878.db2.gz FLTZVZDSGWBBHP-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1cc(-c2cc(F)cc(Cl)c2)ccc1F ZINC000065340960 183253969 /nfs/dbraw/zinc/25/39/69/183253969.db2.gz AWSIADGZBFNQML-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1ccc(-c2cc(F)cc(Cl)c2)c(F)c1 ZINC000065340961 183263935 /nfs/dbraw/zinc/26/39/35/183263935.db2.gz HPDDYYWAJOHRTF-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1cc(F)cc(-c2cc(F)cc(Cl)c2)c1 ZINC000065340962 183258983 /nfs/dbraw/zinc/25/89/83/183258983.db2.gz HCMLMJFIWVBRAF-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1ccc(-c2ccc(F)c(Cl)c2)cc1F ZINC000065340963 183264614 /nfs/dbraw/zinc/26/46/14/183264614.db2.gz HJCIMGARALEWPS-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1cc(-c2ccc(F)c(Cl)c2)ccc1F ZINC000065340964 183255351 /nfs/dbraw/zinc/25/53/51/183255351.db2.gz QOGAHVVCEZHZJP-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1ccc(-c2ccc(F)c(Cl)c2)c(F)c1 ZINC000065340965 183263881 /nfs/dbraw/zinc/26/38/81/183263881.db2.gz VBJABUIXIAGVIQ-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1cc(F)cc(-c2ccc(F)c(Cl)c2)c1 ZINC000065340966 183258561 /nfs/dbraw/zinc/25/85/61/183258561.db2.gz LYMKBADPIIBAAE-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1ccc(-c2c(F)cc(F)cc2F)cc1F ZINC000065340967 183264844 /nfs/dbraw/zinc/26/48/44/183264844.db2.gz ZRMDDCOJQNDFMI-UHFFFAOYSA-N 0 0 242.171 3.616 10 0 BHAERN Oc1cc(-c2c(F)cc(F)cc2F)ccc1F ZINC000065340968 183254864 /nfs/dbraw/zinc/25/48/64/183254864.db2.gz CUSHEVSFRRCKDY-UHFFFAOYSA-N 0 0 242.171 3.616 10 0 BHAERN Oc1ccc(-c2c(F)cc(F)cc2F)c(F)c1 ZINC000065340969 183263025 /nfs/dbraw/zinc/26/30/25/183263025.db2.gz IMZUQNOLFSIEPZ-UHFFFAOYSA-N 0 0 242.171 3.616 10 0 BHAERN Oc1cc(F)cc(-c2c(F)cc(F)cc2F)c1 ZINC000065340970 183258204 /nfs/dbraw/zinc/25/82/04/183258204.db2.gz VPCJCZOZICYIDH-UHFFFAOYSA-N 0 0 242.171 3.616 10 0 BHAERN CCOc1ccc(-c2ccc(F)c(O)c2)c(C)c1 ZINC000065340996 170531099 /nfs/dbraw/zinc/53/10/99/170531099.db2.gz IQOYNOIMUGRGNP-UHFFFAOYSA-N 0 0 246.281 3.905 10 0 BHAERN O=Cc1cccc(-c2cccc(Cl)c2)c1O ZINC000065341847 385095567 /nfs/dbraw/zinc/09/55/67/385095567.db2.gz ZQDRIHGXANBKBA-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN Cc1ccc(-c2ccc(C=O)c(O)c2)c(Cl)c1 ZINC000065341929 178323877 /nfs/dbraw/zinc/32/38/77/178323877.db2.gz RISRYWQSTOALIL-UHFFFAOYSA-N 0 0 246.693 3.834 10 0 BHAERN Cc1ccc(-c2cccc(C=O)c2O)c(Cl)c1 ZINC000065341930 178326733 /nfs/dbraw/zinc/32/67/33/178326733.db2.gz JAESQVGCFKNKFF-UHFFFAOYSA-N 0 0 246.693 3.834 10 0 BHAERN Cc1ccc(-c2ccc(C=O)c(O)c2)cc1Cl ZINC000065341935 178324420 /nfs/dbraw/zinc/32/44/20/178324420.db2.gz JAQXAOIZFCJKMP-UHFFFAOYSA-N 0 0 246.693 3.834 10 0 BHAERN Cc1ccc(-c2cccc(C=O)c2O)cc1Cl ZINC000065341936 178327071 /nfs/dbraw/zinc/32/70/71/178327071.db2.gz PQMMAMRUXSHPBD-UHFFFAOYSA-N 0 0 246.693 3.834 10 0 BHAERN Cc1cc(Cl)cc(-c2ccc(O)c(C=O)c2)c1 ZINC000065341937 178063009 /nfs/dbraw/zinc/06/30/09/178063009.db2.gz BXXRQMFADJHWQC-UHFFFAOYSA-N 0 0 246.693 3.834 10 0 BHAERN Cc1cc(Cl)cc(-c2ccc(C=O)c(O)c2)c1 ZINC000065341938 178063363 /nfs/dbraw/zinc/06/33/63/178063363.db2.gz ONNOXOPYVDZIGP-UHFFFAOYSA-N 0 0 246.693 3.834 10 0 BHAERN Cc1cc(Cl)cc(-c2cccc(C=O)c2O)c1 ZINC000065341939 178063536 /nfs/dbraw/zinc/06/35/36/178063536.db2.gz OWNDHFTVIQQUMP-UHFFFAOYSA-N 0 0 246.693 3.834 10 0 BHAERN Cc1cc(Cl)ccc1-c1ccc(C=O)c(O)c1 ZINC000065341941 178064940 /nfs/dbraw/zinc/06/49/40/178064940.db2.gz NPPSHSLIPYTDNV-UHFFFAOYSA-N 0 0 246.693 3.834 10 0 BHAERN Cc1cc(Cl)ccc1-c1cccc(C=O)c1O ZINC000065341942 178065641 /nfs/dbraw/zinc/06/56/41/178065641.db2.gz NPAHUMBHDYOCBK-UHFFFAOYSA-N 0 0 246.693 3.834 10 0 BHAERN COc1ccc(-c2cccc(C)c2C)cc1O ZINC000065342340 175034345 /nfs/dbraw/zinc/03/43/45/175034345.db2.gz GRSYOJVLECTHID-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1ccc(-c2cc(C)ccc2C)cc1O ZINC000065342345 175031101 /nfs/dbraw/zinc/03/11/01/175031101.db2.gz RHLCMEAZHHCMTR-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1ccc(-c2ccc(C)cc2C)cc1O ZINC000065342353 175032924 /nfs/dbraw/zinc/03/29/24/175032924.db2.gz UIUTZZOUOBEUPI-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1ccc(-c2cc(C)cc(C)c2)cc1O ZINC000065342358 175030726 /nfs/dbraw/zinc/03/07/26/175030726.db2.gz KKEMBTOZWPREMB-UHFFFAOYSA-N 0 0 228.291 3.685 10 0 BHAERN COc1ccc(-c2ccc(C)cc2F)cc1O ZINC000065342388 175033218 /nfs/dbraw/zinc/03/32/18/175033218.db2.gz AAYKCFFUCPVURK-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1cc(-c2cc(C)ccc2F)ccc1O ZINC000065342391 174938291 /nfs/dbraw/zinc/93/82/91/174938291.db2.gz XBTKGGZEFNZHNQ-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2cc(C)ccc2F)cc1O ZINC000065342393 175031047 /nfs/dbraw/zinc/03/10/47/175031047.db2.gz CIRFUOPNGFHJQE-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2cccc(F)c2C)cc1O ZINC000065342398 175035112 /nfs/dbraw/zinc/03/51/12/175035112.db2.gz LGPGZVLPVBUQSY-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(C)c(F)c2)cc1O ZINC000065342402 175032868 /nfs/dbraw/zinc/03/28/68/175032868.db2.gz PKYYAFMYXUCQJV-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1cc(-c2ccc(F)c(C)c2)ccc1O ZINC000065342406 174938041 /nfs/dbraw/zinc/93/80/41/174938041.db2.gz NYGNHKVNRVPDGB-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2ccc(F)c(C)c2)cc1O ZINC000065342408 175032944 /nfs/dbraw/zinc/03/29/44/175032944.db2.gz OSZSIITXVGZWOU-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1ccc(-c2cc(F)ccc2C)cc1O ZINC000065342413 175031438 /nfs/dbraw/zinc/03/14/38/175031438.db2.gz OMTYDHDOWPARML-UHFFFAOYSA-N 0 0 232.254 3.515 10 0 BHAERN COc1cc(-c2ccccc2Cl)ccc1O ZINC000065342445 174937630 /nfs/dbraw/zinc/93/76/30/174937630.db2.gz IINNDDNWRCGPKG-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(-c2ccccc2Cl)cc1O ZINC000065342446 175035268 /nfs/dbraw/zinc/03/52/68/175035268.db2.gz JMJURAYRTYBVRZ-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(-c2ccc(Cl)cc2)cc1O ZINC000065342458 175033018 /nfs/dbraw/zinc/03/30/18/175033018.db2.gz ILDXMBFFRFUUJF-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(-c2ccccc2SC)cc1O ZINC000065342548 175035177 /nfs/dbraw/zinc/03/51/77/175035177.db2.gz DEISARGIIPFXGS-UHFFFAOYSA-N 0 0 246.331 3.790 10 0 BHAERN Oc1ccc(-c2cccs2)cc1Cl ZINC000065343016 183263861 /nfs/dbraw/zinc/26/38/61/183263861.db2.gz IJQUQPICWVIJIP-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Oc1cc(-c2cccs2)ccc1Cl ZINC000065343018 183256458 /nfs/dbraw/zinc/25/64/58/183256458.db2.gz XCPVBQCLDPXTPH-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Oc1cc(Cl)cc(-c2cccs2)c1 ZINC000065343019 183257965 /nfs/dbraw/zinc/25/79/65/183257965.db2.gz BGRFTAMAIZUZAE-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Oc1ccc(-c2ccsc2)cc1Cl ZINC000065343021 183264828 /nfs/dbraw/zinc/26/48/28/183264828.db2.gz JWKFVNKEJYCZAO-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Oc1cc(-c2ccsc2)ccc1Cl ZINC000065343022 183256242 /nfs/dbraw/zinc/25/62/42/183256242.db2.gz XMMXJMVFPZFGTF-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Oc1cc(Cl)cc(-c2ccsc2)c1 ZINC000065343024 183258883 /nfs/dbraw/zinc/25/88/83/183258883.db2.gz RCAZIGPBPHVNKF-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Oc1cc(Cl)cc(-c2cccc(F)c2)c1 ZINC000065343060 183258626 /nfs/dbraw/zinc/25/86/26/183258626.db2.gz UDWMPVCKNNMFRQ-UHFFFAOYSA-N 0 0 222.646 3.852 10 0 BHAERN O=Cc1ccccc1-c1cc(O)cc(Cl)c1 ZINC000065343082 712387202 /nfs/dbraw/zinc/38/72/02/712387202.db2.gz KNAJLCRZKCWZLB-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN O=Cc1cccc(-c2cc(O)cc(Cl)c2)c1 ZINC000065343086 712387189 /nfs/dbraw/zinc/38/71/89/712387189.db2.gz PRBJFDHRUJLVGF-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN O=Cc1ccc(-c2cc(O)cc(Cl)c2)cc1 ZINC000065343089 712386977 /nfs/dbraw/zinc/38/69/77/712386977.db2.gz AWQQJIWHOHAQEI-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN COc1ccccc1-c1ccc(Cl)c(O)c1 ZINC000065343129 175309402 /nfs/dbraw/zinc/30/94/02/175309402.db2.gz BXDBXOACBWYNDP-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccccc1-c1cc(O)cc(Cl)c1 ZINC000065343131 175308972 /nfs/dbraw/zinc/30/89/72/175308972.db2.gz BBHMLWTWUGXLPF-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1cccc(-c2ccc(Cl)c(O)c2)c1 ZINC000065343132 175234170 /nfs/dbraw/zinc/23/41/70/175234170.db2.gz ASRLTRVLXHPHRE-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1cccc(-c2cc(O)cc(Cl)c2)c1 ZINC000065343134 175234174 /nfs/dbraw/zinc/23/41/74/175234174.db2.gz AYTFRSHIEJNYQV-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(-c2ccc(Cl)c(O)c2)cc1 ZINC000065343135 175033389 /nfs/dbraw/zinc/03/33/89/175033389.db2.gz JSZRLQUVMXWCPP-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN COc1ccc(-c2cc(O)cc(Cl)c2)cc1 ZINC000065343137 175032567 /nfs/dbraw/zinc/03/25/67/175032567.db2.gz CLFCGKUTAQKLGP-UHFFFAOYSA-N 0 0 234.682 3.721 10 0 BHAERN Oc1ccc(-c2ccc(O)c(Cl)c2)cc1F ZINC000065343170 183264882 /nfs/dbraw/zinc/26/48/82/183264882.db2.gz SFTJEVZYABUYQD-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1ccc(-c2ccc(Cl)c(O)c2)cc1F ZINC000065343172 183264191 /nfs/dbraw/zinc/26/41/91/183264191.db2.gz MEKQMOSMGVVGLJ-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1cc(Cl)cc(-c2ccc(O)c(F)c2)c1 ZINC000065343174 183258912 /nfs/dbraw/zinc/25/89/12/183258912.db2.gz BBPIDJBKYIVCFP-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1cc(F)cc(-c2ccc(O)c(Cl)c2)c1 ZINC000065343175 183258649 /nfs/dbraw/zinc/25/86/49/183258649.db2.gz WEENHNNBHLEELU-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1cc(F)cc(-c2ccc(Cl)c(O)c2)c1 ZINC000065343177 183259498 /nfs/dbraw/zinc/25/94/98/183259498.db2.gz KULOZWRQMBYDHX-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1cc(F)cc(-c2cc(O)cc(Cl)c2)c1 ZINC000065343178 183259257 /nfs/dbraw/zinc/25/92/57/183259257.db2.gz ICMZSEUKGQHUII-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1ccc(-c2ccc(F)cc2O)cc1Cl ZINC000065343179 183264887 /nfs/dbraw/zinc/26/48/87/183264887.db2.gz IWPJZCVJAZDJOZ-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1cc(-c2ccc(F)cc2O)ccc1Cl ZINC000065343181 183254446 /nfs/dbraw/zinc/25/44/46/183254446.db2.gz AFWYEHVTQXXMRZ-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1cc(Cl)cc(-c2ccc(F)cc2O)c1 ZINC000065343182 183259504 /nfs/dbraw/zinc/25/95/04/183259504.db2.gz ZKNFNTDPVRWBOE-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1ccc(F)cc1-c1ccc(Cl)c(O)c1 ZINC000065343184 183254201 /nfs/dbraw/zinc/25/42/01/183254201.db2.gz WZJCIQVZRSSJLB-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN Oc1cc(Cl)cc(-c2cc(F)ccc2O)c1 ZINC000065343185 183258922 /nfs/dbraw/zinc/25/89/22/183258922.db2.gz YJVQDMOLWLKMLD-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN O=Cc1ccc(-c2cc(O)cc(Cl)c2)s1 ZINC000065343195 712387206 /nfs/dbraw/zinc/38/72/06/712387206.db2.gz GQAAWMKKDYNTCH-UHFFFAOYSA-N 0 0 238.695 3.587 10 0 BHAERN Oc1cc(-c2ccc(F)cc2F)ccc1Cl ZINC000065343201 183254248 /nfs/dbraw/zinc/25/42/48/183254248.db2.gz JJFHMMLNGKBYLR-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1cc(-c2ccc(F)c(F)c2)ccc1Cl ZINC000065343204 183255316 /nfs/dbraw/zinc/25/53/16/183255316.db2.gz AETVMQDQWCZPQF-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1cc(-c2cc(F)cc(F)c2)ccc1Cl ZINC000065343206 183254225 /nfs/dbraw/zinc/25/42/25/183254225.db2.gz KJYJASYLXRYWPS-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1ccc(-c2cccc(F)c2F)cc1Cl ZINC000065343209 183264862 /nfs/dbraw/zinc/26/48/62/183264862.db2.gz WGAVFNUNKGCNEB-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1cc(-c2cccc(F)c2F)ccc1Cl ZINC000065343211 183255219 /nfs/dbraw/zinc/25/52/19/183255219.db2.gz ROFIJCPAUGBNTR-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1ccc(-c2c(F)cccc2F)cc1Cl ZINC000065343214 183263894 /nfs/dbraw/zinc/26/38/94/183263894.db2.gz GRWRIDLYONMUNH-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1cc(-c2c(F)cccc2F)ccc1Cl ZINC000065343215 183255521 /nfs/dbraw/zinc/25/55/21/183255521.db2.gz UCFXKLYDTVLCQH-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1ccc(-c2cc(F)ccc2F)cc1Cl ZINC000065343220 183264903 /nfs/dbraw/zinc/26/49/03/183264903.db2.gz GEGNVMJMAGFLJK-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1cc(-c2cc(F)ccc2F)ccc1Cl ZINC000065343221 183255723 /nfs/dbraw/zinc/25/57/23/183255723.db2.gz FVBIKGBAHCANEY-UHFFFAOYSA-N 0 0 240.636 3.991 10 0 BHAERN Oc1cc(-c2ccco2)cc(C(F)(F)F)c1 ZINC000065343987 183257058 /nfs/dbraw/zinc/25/70/58/183257058.db2.gz AFOCZOJNYFEWEG-UHFFFAOYSA-N 0 0 228.169 3.671 10 0 BHAERN Oc1cc(OC(F)(F)F)cc(-c2ccco2)c1 ZINC000065343989 183261470 /nfs/dbraw/zinc/26/14/70/183261470.db2.gz XWDRXDNLANKVIH-UHFFFAOYSA-N 0 0 244.168 3.551 10 0 BHAERN CC(C)(C)c1ccc(-c2ccc(O)cn2)cc1 ZINC000065355900 188129314 /nfs/dbraw/zinc/12/93/14/188129314.db2.gz MWMKBKZQDAEUNK-UHFFFAOYSA-N 0 0 227.307 3.752 10 0 BHAERN Oc1ccc(-c2cccc3ccccc32)nc1 ZINC000065355960 183263902 /nfs/dbraw/zinc/26/39/02/183263902.db2.gz NLZFDWZXTWPQEN-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN Oc1ccc(-c2cccc(Cl)c2Cl)nc1 ZINC000065355996 183264102 /nfs/dbraw/zinc/26/41/02/183264102.db2.gz XIBNURULCXUNOS-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN Oc1ccc(-c2ccc(Cl)cc2Cl)nc1 ZINC000065356000 183264056 /nfs/dbraw/zinc/26/40/56/183264056.db2.gz FENQXTOYMIMPMO-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN Oc1ccc(-c2cc(Cl)ccc2Cl)nc1 ZINC000065356004 183264902 /nfs/dbraw/zinc/26/49/02/183264902.db2.gz YGXWRSUSYQDFBJ-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN Oc1ccc(-c2ccc(Cl)c(Cl)c2)nc1 ZINC000065356007 183264655 /nfs/dbraw/zinc/26/46/55/183264655.db2.gz YJXOISRILUOZJG-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN Oc1ccc(-c2cc(Cl)cc(Cl)c2)nc1 ZINC000065356011 183264584 /nfs/dbraw/zinc/26/45/84/183264584.db2.gz WTLLXNBFESVYLG-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN CC(C)c1cc(Br)ccc1F ZINC000065356378 188051115 /nfs/dbraw/zinc/05/11/15/188051115.db2.gz SOBRHULVZPCEQE-UHFFFAOYSA-N 0 0 217.081 3.712 10 0 BHAERN CC(C)(C)Cc1[nH]cnc1-c1ccccc1 ZINC000065396488 385305556 /nfs/dbraw/zinc/30/55/56/385305556.db2.gz BKLGNICLQUEDDD-UHFFFAOYSA-N 0 0 214.312 3.665 10 0 BHAERN c1c[nH]c(C(c2ccccc2)c2ccccc2)n1 ZINC000065467308 183388041 /nfs/dbraw/zinc/38/80/41/183388041.db2.gz BLJQGZXRECZHOS-UHFFFAOYSA-N 0 0 234.302 3.590 10 0 BHAERN Cc1cc2c(s1)Nc1ccccc1NC2=S ZINC000065740353 178292635 /nfs/dbraw/zinc/29/26/35/178292635.db2.gz VHCDCUWOPDPJLF-UHFFFAOYSA-N 0 0 246.360 3.901 10 0 in-vitro BHAERN COc1ccc2c(c1)Nc1ccccc1CC2 ZINC000065743249 175212295 /nfs/dbraw/zinc/21/22/95/175212295.db2.gz MKGUWTQTKHFOSS-UHFFFAOYSA-N 0 0 225.291 3.537 10 0 in-vitro BHAERN COc1ccc2c(c1)Nc1ccccc1C=C2 ZINC000065743250 175212253 /nfs/dbraw/zinc/21/22/53/175212253.db2.gz IGUWZDGUWHFXFL-UHFFFAOYSA-N 0 0 223.275 3.923 10 0 in-vitro BHAERN C[C@@H]1CC[C@H](Sc2ccccc2)C(=O)C1 ZINC000065743378 176235342 /nfs/dbraw/zinc/23/53/42/176235342.db2.gz WVQHIPYOBZAUKX-MFKMUULPSA-N 0 0 220.337 3.536 10 0 in-vitro BHAERN C[C@@H]1CC[C@@H](Sc2ccccc2)C(=O)C1 ZINC000065743379 176215448 /nfs/dbraw/zinc/21/54/48/176215448.db2.gz WVQHIPYOBZAUKX-ZWNOBZJWSA-N 0 0 220.337 3.536 10 0 in-vitro BHAERN Cn1ccc(Cc2ccccc2)c1-c1cccnc1 ZINC000065743413 388615104 /nfs/dbraw/zinc/61/51/04/388615104.db2.gz HFRLFNOOEHOHKB-UHFFFAOYSA-N 0 0 248.329 3.678 10 0 in-vitro BHAERN CCOC(=O)/C=C\c1ccc(Cl)cc1Cl ZINC000066032816 398087802 /nfs/dbraw/zinc/08/78/02/398087802.db2.gz LNURJQJBCBYMGG-XQRVVYSFSA-N 0 0 245.105 3.570 10 0 BHAERN c1coc(-c2ncc(-c3ccccc3)o2)c1 ZINC000066054761 183380557 /nfs/dbraw/zinc/38/05/57/183380557.db2.gz YODQEEQWYMFMNE-UHFFFAOYSA-N 0 0 211.220 3.602 10 0 BHAERN Oc1ccc(-c2cnc(-c3ccccc3)o2)cc1 ZINC000066054806 183264686 /nfs/dbraw/zinc/26/46/86/183264686.db2.gz QZQUIKWDGDUNEK-UHFFFAOYSA-N 0 0 237.258 3.714 10 0 BHAERN Clc1ccc2[nH]c(-c3ccc[nH]3)cc2c1 ZINC000066055026 388547453 /nfs/dbraw/zinc/54/74/53/388547453.db2.gz CNVVCUIVUHAIAA-UHFFFAOYSA-N 0 0 216.671 3.816 10 0 BHAERN Oc1cccc2cc(-c3ccoc3)ccc12 ZINC000066099491 183298227 /nfs/dbraw/zinc/29/82/27/183298227.db2.gz FQOJHHMJOQBCAA-UHFFFAOYSA-N 0 0 210.232 3.805 10 0 BHAERN CC(C)COc1c(N)cc(Cl)cc1Cl ZINC000066140695 187274097 /nfs/dbraw/zinc/27/40/97/187274097.db2.gz MDOMXCNPJHQQIS-UHFFFAOYSA-N 0 0 234.126 3.610 10 0 BHAERN CC(C)Oc1ccc(C=O)cc1C(C)(C)C ZINC000066153038 167292124 /nfs/dbraw/zinc/29/21/24/167292124.db2.gz BTIUEHNMSGXLOU-UHFFFAOYSA-N 0 0 220.312 3.584 10 0 BHAERN CC(C)COc1ccc(C=O)cc1C(C)C ZINC000066153208 187958210 /nfs/dbraw/zinc/95/82/10/187958210.db2.gz XPVSCVKWXCRMSS-UHFFFAOYSA-N 0 0 220.312 3.657 10 0 BHAERN Clc1ccc(NCCNc2ccccc2)cc1 ZINC000066183038 367688725 /nfs/dbraw/zinc/68/87/25/367688725.db2.gz NAWGHCGUMJPIJM-UHFFFAOYSA-N 0 0 246.741 3.864 10 0 BHAERN Cc1cc(NC(=O)c2ccc(F)cc2)sc1C ZINC000066322380 178150593 /nfs/dbraw/zinc/15/05/93/178150593.db2.gz FFNIYWWGSOZACH-UHFFFAOYSA-N 0 0 249.310 3.756 10 0 BHAERN Cc1cc(NC(=O)c2ccccc2F)sc1C ZINC000066322382 178151256 /nfs/dbraw/zinc/15/12/56/178151256.db2.gz KLWWEGBHQNIWCV-UHFFFAOYSA-N 0 0 249.310 3.756 10 0 BHAERN C[C@@H]1CS[C@H](c2ccco2)S[C@@H]1C ZINC000066338667 176356825 /nfs/dbraw/zinc/35/68/25/176356825.db2.gz XLJIBEFCZKTKCD-MRTMQBJTSA-N 0 0 214.355 3.783 10 0 BHAERN C[C@@H]1CS[C@@H](c2ccco2)S[C@@H]1C ZINC000066338675 176356956 /nfs/dbraw/zinc/35/69/56/176356956.db2.gz XLJIBEFCZKTKCD-NQMVMOMDSA-N 0 0 214.355 3.783 10 0 BHAERN Nc1ccc2c(c1)nc(-c1ccccc1)n2C1CC1 ZINC000066347407 387913977 /nfs/dbraw/zinc/91/39/77/387913977.db2.gz HPYSYNJVUWLTHQ-UHFFFAOYSA-N 0 0 249.317 3.620 10 0 BHAERN Oc1cccc(-c2c[nH]c3ccccc32)c1 ZINC000066347419 183285497 /nfs/dbraw/zinc/28/54/97/183285497.db2.gz MIBUVQWDBBOIOM-UHFFFAOYSA-N 0 0 209.248 3.541 10 0 BHAERN c1csc(-c2ccnn2-c2ccccc2)c1 ZINC000066348513 183387997 /nfs/dbraw/zinc/38/79/97/183387997.db2.gz WDPAJUPQJAIOHM-UHFFFAOYSA-N 0 0 226.304 3.601 10 0 BHAERN C=C(Cl)c1ccc(Br)cc1 ZINC000066381817 343867990 /nfs/dbraw/zinc/86/79/90/343867990.db2.gz SOXXPCUBYFHAJZ-UHFFFAOYSA-N 0 0 217.493 3.659 10 0 BHAERN F/C(=C(/F)C(F)(F)F)c1ccccc1 ZINC000066383347 349875483 /nfs/dbraw/zinc/87/54/83/349875483.db2.gz KIWFVZHBXKNTGJ-BQYQJAHWSA-N 0 0 208.129 3.857 10 0 BHAERN Cc1ccccc1-c1ncc(-c2ncc[nH]2)s1 ZINC000067605613 179240130 /nfs/dbraw/zinc/24/01/30/179240130.db2.gz UKOLHJJRDAQDMY-UHFFFAOYSA-N 0 0 241.319 3.509 10 0 BHAERN C=C1c2ccccc2CCc2ccccc21 ZINC000067730206 188111882 /nfs/dbraw/zinc/11/18/82/188111882.db2.gz SRTMGQXUCMILBQ-UHFFFAOYSA-N 0 0 206.288 3.847 10 0 BHAERN Cc1ccnc(-c2cccc(Cl)c2Cl)n1 ZINC000067773259 636798745 /nfs/dbraw/zinc/79/87/45/636798745.db2.gz JXUUNSWVDRIJHD-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN O=Cc1cccc(-c2ccc(O)cc2Cl)c1 ZINC000067794386 384093802 /nfs/dbraw/zinc/09/38/02/384093802.db2.gz LZGSDROLKRVUAL-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN O=Cc1cccc(-c2cccc(Cl)c2F)c1 ZINC000067794393 636948917 /nfs/dbraw/zinc/94/89/17/636948917.db2.gz BBWQSCNMWDNNMQ-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN O=Cc1cccc(-c2ccc(Cl)cc2F)c1 ZINC000067794394 182870619 /nfs/dbraw/zinc/87/06/19/182870619.db2.gz YIHHRFYCJKVGAA-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN O=Cc1cccc(-c2cc(Cl)ccc2F)c1 ZINC000067794397 636949263 /nfs/dbraw/zinc/94/92/63/636949263.db2.gz HMMSTPPITCVNHZ-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN O=Cc1cccc(-c2cc(F)cc(Cl)c2)c1 ZINC000067794400 182870725 /nfs/dbraw/zinc/87/07/25/182870725.db2.gz CZIABJJWCYPTAP-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN O=Cc1cccc(-c2cc(F)ccc2Cl)c1 ZINC000067794401 182870552 /nfs/dbraw/zinc/87/05/52/182870552.db2.gz XFYAPLYGXBOQEX-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN O=Cc1cccc(-c2ccc(F)cc2Cl)c1 ZINC000067794402 383945909 /nfs/dbraw/zinc/94/59/09/383945909.db2.gz DFMOCXLUKVOYTJ-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN CC1(C)CCC(C)(C)c2cc(F)c(N)cc21 ZINC000068590251 187274907 /nfs/dbraw/zinc/27/49/07/187274907.db2.gz HNFYWVNKQJXBMY-UHFFFAOYSA-N 0 0 221.319 3.757 10 0 BHAERN Cc1ccc(C(=O)OC(C)(C)C)cc1Cl ZINC000068813499 373066551 /nfs/dbraw/zinc/06/65/51/373066551.db2.gz WKAQWEJQGIPTEY-UHFFFAOYSA-N 0 0 226.703 3.604 10 0 BHAERN CCC(C)(C)C(=O)c1[nH]c(C)c(C)c1C ZINC000068944211 373095365 /nfs/dbraw/zinc/09/53/65/373095365.db2.gz VEHHRMRPXCPOQA-UHFFFAOYSA-N 0 0 207.317 3.559 10 0 BHAERN Cc1[nH]c(C(=O)CC(C)(C)C)c(C)c1C ZINC000068944237 373094698 /nfs/dbraw/zinc/09/46/98/373094698.db2.gz DQYRCZFQXKUGSP-UHFFFAOYSA-N 0 0 207.317 3.559 10 0 BHAERN Cc1cn(Cc2ccsc2)c(C)c1C ZINC000068944468 373097684 /nfs/dbraw/zinc/09/76/84/373097684.db2.gz BDWQEICBXBFXBH-UHFFFAOYSA-N 0 0 205.326 3.523 10 0 BHAERN CCC(=O)c1ccc(-c2ccoc2)cc1 ZINC000068978260 373099335 /nfs/dbraw/zinc/09/93/35/373099335.db2.gz OXDAURKVOBURFV-UHFFFAOYSA-N 0 0 200.237 3.539 10 0 BHAERN Cc1cccc(Oc2cccc(C=O)c2)c1 ZINC000068983573 411303992 /nfs/dbraw/zinc/30/39/92/411303992.db2.gz HLUFSBKAURHUQC-UHFFFAOYSA-N 0 0 212.248 3.600 10 0 BHAERN CC(C)(C)Sc1cccc(Br)n1 ZINC000069018771 351336875 /nfs/dbraw/zinc/33/68/75/351336875.db2.gz OJVCYOYPGULZSJ-UHFFFAOYSA-N 0 0 246.173 3.735 10 0 BHAERN Cc1cc(N)ccc1-c1cncc2ccccc21 ZINC000069265384 370911716 /nfs/dbraw/zinc/91/17/16/370911716.db2.gz OUHNCXMDTHVFOL-UHFFFAOYSA-N 0 0 234.302 3.792 10 0 BHAERN Cc1ccc(Oc2cccc(C=O)c2)cc1C ZINC000069326819 349945222 /nfs/dbraw/zinc/94/52/22/349945222.db2.gz HDFNLMHXEQUJEM-UHFFFAOYSA-N 0 0 226.275 3.908 10 0 BHAERN Cc1cc(C)cc(Oc2cccc(C=O)c2)c1 ZINC000069326823 349945943 /nfs/dbraw/zinc/94/59/43/349945943.db2.gz CWLVEMOBFFUDOU-UHFFFAOYSA-N 0 0 226.275 3.908 10 0 BHAERN CCc1c(Cl)nc(-c2ccoc2)nc1Cl ZINC000069625293 373547735 /nfs/dbraw/zinc/54/77/35/373547735.db2.gz HOKDPSBPERGGTK-UHFFFAOYSA-N 0 0 243.093 3.606 10 0 BHAERN CCNc1nc(-c2sccc2C)cs1 ZINC000069635889 359687602 /nfs/dbraw/zinc/68/76/02/359687602.db2.gz HZJDMZCCCRSMIX-UHFFFAOYSA-N 0 0 224.354 3.612 10 0 BHAERN Cc1ccsc1-c1csc(Cl)n1 ZINC000069637282 359687656 /nfs/dbraw/zinc/68/76/56/359687656.db2.gz ZDTZRCVCKYNPDH-UHFFFAOYSA-N 0 0 215.730 3.833 10 0 BHAERN CC(C)(C)CC(=O)c1cccc(F)c1F ZINC000069640593 359690672 /nfs/dbraw/zinc/69/06/72/359690672.db2.gz LIOICZQQNXIYHK-UHFFFAOYSA-N 0 0 212.239 3.584 10 0 BHAERN CC(C)[C@H](C)NC(=O)c1cccc2ccccc21 ZINC000069675076 188130956 /nfs/dbraw/zinc/13/09/56/188130956.db2.gz MXGUMLAKUYZINA-LBPRGKRZSA-N 0 0 241.334 3.614 10 0 BHAERN C[C@@H]1CC[C@H](n2cc[nH]c2=S)[C@H](C)C1 ZINC000069676831 373585320 /nfs/dbraw/zinc/58/53/20/373585320.db2.gz DNYKYPMVCKYWOO-BBBLOLIVSA-N 0 0 210.346 3.543 10 0 BHAERN C[C@@H]1CC[C@@H](n2cc[nH]c2=S)[C@H](C)C1 ZINC000069676837 373585116 /nfs/dbraw/zinc/58/51/16/373585116.db2.gz DNYKYPMVCKYWOO-OPRDCNLKSA-N 0 0 210.346 3.543 10 0 BHAERN CC(C)[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000069685452 385854186 /nfs/dbraw/zinc/85/41/86/385854186.db2.gz GIRDYJRQZQMRSW-SECBINFHSA-N 0 0 210.704 3.815 10 0 BHAERN CC(C)[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000069685454 385853870 /nfs/dbraw/zinc/85/38/70/385853870.db2.gz GIRDYJRQZQMRSW-VIFPVBQESA-N 0 0 210.704 3.815 10 0 BHAERN CC(C)[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000069685507 342807827 /nfs/dbraw/zinc/80/78/27/342807827.db2.gz OJNKMEIFWKRALI-SSDOTTSWSA-N 0 0 216.733 3.876 10 0 BHAERN CC(C)[C@H](C)C(=O)c1ccc(Cl)s1 ZINC000069685509 373594518 /nfs/dbraw/zinc/59/45/18/373594518.db2.gz OJNKMEIFWKRALI-ZETCQYMHSA-N 0 0 216.733 3.876 10 0 BHAERN CC(C)[C@@H](C)[C@H](O)c1ccc(Cl)cc1 ZINC000069689261 373594014 /nfs/dbraw/zinc/59/40/14/373594014.db2.gz AFBDYRKUKVSUEY-SKDRFNHKSA-N 0 0 212.720 3.666 10 0 BHAERN CC(C)[C@H](C)[C@H](O)c1ccc(Cl)cc1 ZINC000069689262 373594085 /nfs/dbraw/zinc/59/40/85/373594085.db2.gz AFBDYRKUKVSUEY-CABZTGNLSA-N 0 0 212.720 3.666 10 0 BHAERN CC(C)[C@@H](C)[C@@H](O)c1ccc(Cl)cc1 ZINC000069689264 373594388 /nfs/dbraw/zinc/59/43/88/373594388.db2.gz AFBDYRKUKVSUEY-BXKDBHETSA-N 0 0 212.720 3.666 10 0 BHAERN CC(C)[C@H](C)[C@@H](O)c1ccc(Cl)cc1 ZINC000069689267 373594659 /nfs/dbraw/zinc/59/46/59/373594659.db2.gz AFBDYRKUKVSUEY-JOYOIKCWSA-N 0 0 212.720 3.666 10 0 BHAERN Cc1cc([C@H](O)[C@@H](C)C(C)C)c(C)s1 ZINC000069689452 373594744 /nfs/dbraw/zinc/59/47/44/373594744.db2.gz DAHWWSOMGNVZGX-JOYOIKCWSA-N 0 0 212.358 3.690 10 0 BHAERN Cc1cc([C@@H](O)[C@@H](C)C(C)C)c(C)s1 ZINC000069689454 373593922 /nfs/dbraw/zinc/59/39/22/373593922.db2.gz DAHWWSOMGNVZGX-CABZTGNLSA-N 0 0 212.358 3.690 10 0 BHAERN Cc1cc([C@H](O)[C@H](C)C(C)C)c(C)s1 ZINC000069689457 373594442 /nfs/dbraw/zinc/59/44/42/373594442.db2.gz DAHWWSOMGNVZGX-BXKDBHETSA-N 0 0 212.358 3.690 10 0 BHAERN Cc1cc([C@@H](O)[C@H](C)C(C)C)c(C)s1 ZINC000069689460 373594008 /nfs/dbraw/zinc/59/40/08/373594008.db2.gz DAHWWSOMGNVZGX-SKDRFNHKSA-N 0 0 212.358 3.690 10 0 BHAERN CC(C)(C)CC(=O)c1c(F)cccc1F ZINC000069758966 360395830 /nfs/dbraw/zinc/39/58/30/360395830.db2.gz KONKCTLGOMVHTI-UHFFFAOYSA-N 0 0 212.239 3.584 10 0 BHAERN C[C@@H]1CCC(=O)[C@H](CCc2ccsc2)C1 ZINC000069765162 373730185 /nfs/dbraw/zinc/73/01/85/373730185.db2.gz HSCCJIPPZUBIRT-ZYHUDNBSSA-N 0 0 222.353 3.686 10 0 BHAERN C[C@H]1CCC(=O)[C@H](CCc2ccsc2)C1 ZINC000069765164 373730152 /nfs/dbraw/zinc/73/01/52/373730152.db2.gz HSCCJIPPZUBIRT-CMPLNLGQSA-N 0 0 222.353 3.686 10 0 BHAERN C[C@@H]1CCC(=O)[C@@H](CCc2ccsc2)C1 ZINC000069765165 373730775 /nfs/dbraw/zinc/73/07/75/373730775.db2.gz HSCCJIPPZUBIRT-PWSUYJOCSA-N 0 0 222.353 3.686 10 0 BHAERN C[C@H]1CCC(=O)[C@@H](CCc2ccsc2)C1 ZINC000069765168 373730140 /nfs/dbraw/zinc/73/01/40/373730140.db2.gz HSCCJIPPZUBIRT-JQWIXIFHSA-N 0 0 222.353 3.686 10 0 BHAERN C[C@H](Nc1ccc(Cl)cn1)C1CCCC1 ZINC000069805286 324979632 /nfs/dbraw/zinc/97/96/32/324979632.db2.gz GOOXKWAMUMGZSN-VIFPVBQESA-N 0 0 224.735 3.726 10 0 BHAERN C[C@@H](Nc1ccc(Cl)cn1)C1CCCC1 ZINC000069805287 388868334 /nfs/dbraw/zinc/86/83/34/388868334.db2.gz GOOXKWAMUMGZSN-SECBINFHSA-N 0 0 224.735 3.726 10 0 BHAERN CCc1csc(N[C@@H](C)C2CCCC2)n1 ZINC000069805297 351074233 /nfs/dbraw/zinc/07/42/33/351074233.db2.gz BCGLCQQXQZLGOR-VIFPVBQESA-N 0 0 224.373 3.696 10 0 BHAERN CCc1csc(N[C@H](C)C2CCCC2)n1 ZINC000069805299 351074811 /nfs/dbraw/zinc/07/48/11/351074811.db2.gz BCGLCQQXQZLGOR-SECBINFHSA-N 0 0 224.373 3.696 10 0 BHAERN C[C@H](Nc1ncccc1Cl)C1CCCC1 ZINC000069805449 388868764 /nfs/dbraw/zinc/86/87/64/388868764.db2.gz TYFHUOGUYQWFMQ-VIFPVBQESA-N 0 0 224.735 3.726 10 0 BHAERN C[C@@H](Nc1ncccc1Cl)C1CCCC1 ZINC000069805454 388868251 /nfs/dbraw/zinc/86/82/51/388868251.db2.gz TYFHUOGUYQWFMQ-SECBINFHSA-N 0 0 224.735 3.726 10 0 BHAERN C[C@H](Nc1cccc(Cl)n1)C1CCCC1 ZINC000069837382 642922216 /nfs/dbraw/zinc/92/22/16/642922216.db2.gz UZDPKUOLDVKLIA-VIFPVBQESA-N 0 0 224.735 3.726 10 0 BHAERN C[C@@H](Nc1cccc(Cl)n1)C1CCCC1 ZINC000069837384 642921045 /nfs/dbraw/zinc/92/10/45/642921045.db2.gz UZDPKUOLDVKLIA-SECBINFHSA-N 0 0 224.735 3.726 10 0 BHAERN CC(C)C(=O)c1ccc(F)c2ccccc12 ZINC000069900582 373975791 /nfs/dbraw/zinc/97/57/91/373975791.db2.gz JWZZIUDZFDUFMZ-UHFFFAOYSA-N 0 0 216.255 3.818 10 0 BHAERN CCCC(=O)c1ccc(F)c2ccccc12 ZINC000069900584 373975684 /nfs/dbraw/zinc/97/56/84/373975684.db2.gz HIODBHQJBBQXBB-UHFFFAOYSA-N 0 0 216.255 3.962 10 0 BHAERN CCC(=O)c1ccc(F)c2ccccc12 ZINC000069900588 373975416 /nfs/dbraw/zinc/97/54/16/373975416.db2.gz YYQHFNQQGIWZGO-UHFFFAOYSA-N 0 0 202.228 3.572 10 0 BHAERN O=C(c1ccc(F)c2ccccc12)C1CC1 ZINC000069900591 373975651 /nfs/dbraw/zinc/97/56/51/373975651.db2.gz OLFBNEOANCMNGP-UHFFFAOYSA-N 0 0 214.239 3.572 10 0 BHAERN Clc1nnc(-c2coc3ccccc23)s1 ZINC000069938458 374081416 /nfs/dbraw/zinc/08/14/16/374081416.db2.gz RXGVELMBFMZBHF-UHFFFAOYSA-N 0 0 236.683 3.605 10 0 BHAERN C[C@@H]1CCCCCN1c1cccc(Cl)n1 ZINC000069945605 361177696 /nfs/dbraw/zinc/17/76/96/361177696.db2.gz ABBATOKNSSQGEW-SNVBAGLBSA-N 0 0 224.735 3.504 10 0 BHAERN C[C@H]1CCCCCN1c1cccc(Cl)n1 ZINC000069945606 361177900 /nfs/dbraw/zinc/17/79/00/361177900.db2.gz ABBATOKNSSQGEW-JTQLQIEISA-N 0 0 224.735 3.504 10 0 BHAERN CSCCC(=O)c1cc(Cl)cc(Cl)c1 ZINC000069984089 374105983 /nfs/dbraw/zinc/10/59/83/374105983.db2.gz ZNEGZFFSGUYSDQ-UHFFFAOYSA-N 0 0 249.162 3.929 10 0 BHAERN CSCCC(=O)c1ccc(C(F)(F)F)cc1 ZINC000069984093 374106566 /nfs/dbraw/zinc/10/65/66/374106566.db2.gz CQOMDBUYWNMEOJ-UHFFFAOYSA-N 0 0 248.269 3.641 10 0 BHAERN CSCCC(=O)c1cccc2ccccc21 ZINC000069984115 374106584 /nfs/dbraw/zinc/10/65/84/374106584.db2.gz LVPUWJVNVNTNNQ-UHFFFAOYSA-N 0 0 230.332 3.776 10 0 BHAERN CSCCC(=O)c1c(C)cc(C)cc1C ZINC000069984154 374106138 /nfs/dbraw/zinc/10/61/38/374106138.db2.gz NMXBQILWBIKKBW-UHFFFAOYSA-N 0 0 222.353 3.548 10 0 BHAERN CSCCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000069984164 374106493 /nfs/dbraw/zinc/10/64/93/374106493.db2.gz SJQDGUWENHMHCK-UHFFFAOYSA-N 0 0 249.162 3.929 10 0 BHAERN CSCCC(=O)c1csc2ccccc12 ZINC000069984176 374106545 /nfs/dbraw/zinc/10/65/45/374106545.db2.gz TZIKZVUSJAQVIS-UHFFFAOYSA-N 0 0 236.361 3.837 10 0 BHAERN CSCCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000069984222 374104590 /nfs/dbraw/zinc/10/45/90/374104590.db2.gz OJCFVZJUEZUESZ-UHFFFAOYSA-N 0 0 236.380 3.920 10 0 BHAERN CSCCC(=O)c1ccccc1C(F)(F)F ZINC000069984224 374104052 /nfs/dbraw/zinc/10/40/52/374104052.db2.gz MPICHVHOQHGLET-UHFFFAOYSA-N 0 0 248.269 3.641 10 0 BHAERN CSCCC(=O)c1c(Cl)cccc1Cl ZINC000069984251 374106112 /nfs/dbraw/zinc/10/61/12/374106112.db2.gz DQVJELKGAHNZLS-UHFFFAOYSA-N 0 0 249.162 3.929 10 0 BHAERN CSCCC(=O)c1cccc(Cl)c1Cl ZINC000069984252 374106191 /nfs/dbraw/zinc/10/61/91/374106191.db2.gz AYQNEIYFMFBINL-UHFFFAOYSA-N 0 0 249.162 3.929 10 0 BHAERN CSCCC(=O)c1cc(Cl)ccc1Cl ZINC000069984253 374106042 /nfs/dbraw/zinc/10/60/42/374106042.db2.gz FXNRFFKPYNTXQT-UHFFFAOYSA-N 0 0 249.162 3.929 10 0 BHAERN CSCCC(=O)c1ccc(Cl)cc1Cl ZINC000069984334 345250833 /nfs/dbraw/zinc/25/08/33/345250833.db2.gz HCCQHVJWKITRQE-UHFFFAOYSA-N 0 0 249.162 3.929 10 0 BHAERN CSCCC(=O)c1ccc(C)c(Cl)c1 ZINC000069984387 374108069 /nfs/dbraw/zinc/10/80/69/374108069.db2.gz GCEORPOGMLLKGF-UHFFFAOYSA-N 0 0 228.744 3.584 10 0 BHAERN CSCCC(=O)c1ccc(C(C)C)cc1 ZINC000069984420 374106587 /nfs/dbraw/zinc/10/65/87/374106587.db2.gz VGTWYPBCBCHUMD-UHFFFAOYSA-N 0 0 222.353 3.746 10 0 BHAERN CSCCC(=O)c1ccc2ccccc2c1 ZINC000069984425 374106563 /nfs/dbraw/zinc/10/65/63/374106563.db2.gz JNRCLZUEKGGKLF-UHFFFAOYSA-N 0 0 230.332 3.776 10 0 BHAERN CSCCC(=O)c1cccc(C(F)(F)F)c1 ZINC000069984450 374106091 /nfs/dbraw/zinc/10/60/91/374106091.db2.gz GYBPSABDWBISND-UHFFFAOYSA-N 0 0 248.269 3.641 10 0 BHAERN CSCC(=O)c1cc(Cl)cc(Cl)c1 ZINC000069984456 374106533 /nfs/dbraw/zinc/10/65/33/374106533.db2.gz XBKYATBJUMNFSF-UHFFFAOYSA-N 0 0 235.135 3.539 10 0 BHAERN CSCC(=O)c1cc2c(s1)CCCCC2 ZINC000069984464 374106702 /nfs/dbraw/zinc/10/67/02/374106702.db2.gz PFYIMXACEBLMRL-UHFFFAOYSA-N 0 0 240.393 3.563 10 0 BHAERN CSCC(=O)c1c(Cl)cccc1Cl ZINC000069984558 374107549 /nfs/dbraw/zinc/10/75/49/374107549.db2.gz SXLAHUZSSIOHSJ-UHFFFAOYSA-N 0 0 235.135 3.539 10 0 BHAERN O=C(c1cc(Cl)ccc1F)[C@@H]1CCCS1 ZINC000069984741 374107713 /nfs/dbraw/zinc/10/77/13/374107713.db2.gz HXNWXOZTKXETCU-JTQLQIEISA-N 0 0 244.718 3.557 10 0 BHAERN O=C(c1cc(Cl)ccc1F)[C@H]1CCCS1 ZINC000069984743 374108531 /nfs/dbraw/zinc/10/85/31/374108531.db2.gz HXNWXOZTKXETCU-SNVBAGLBSA-N 0 0 244.718 3.557 10 0 BHAERN O=C(c1ccc(F)cc1Cl)[C@@H]1CCCS1 ZINC000069985044 361319173 /nfs/dbraw/zinc/31/91/73/361319173.db2.gz XJNCRRAITWHGFQ-JTQLQIEISA-N 0 0 244.718 3.557 10 0 BHAERN O=C(c1ccc(F)cc1Cl)[C@H]1CCCS1 ZINC000069985046 361318990 /nfs/dbraw/zinc/31/89/90/361318990.db2.gz XJNCRRAITWHGFQ-SNVBAGLBSA-N 0 0 244.718 3.557 10 0 BHAERN O=C(c1c(F)cccc1Cl)[C@@H]1CCCS1 ZINC000069985059 361318928 /nfs/dbraw/zinc/31/89/28/361318928.db2.gz FYOYJEJCYLHWCM-VIFPVBQESA-N 0 0 244.718 3.557 10 0 BHAERN O=C(c1c(F)cccc1Cl)[C@H]1CCCS1 ZINC000069985061 361319271 /nfs/dbraw/zinc/31/92/71/361319271.db2.gz FYOYJEJCYLHWCM-SECBINFHSA-N 0 0 244.718 3.557 10 0 BHAERN O=C(c1ccc(Cl)cc1F)[C@@H]1CCCS1 ZINC000069985062 361319193 /nfs/dbraw/zinc/31/91/93/361319193.db2.gz OSDZZEJYFWHQQX-JTQLQIEISA-N 0 0 244.718 3.557 10 0 BHAERN O=C(c1ccc(Cl)cc1F)[C@H]1CCCS1 ZINC000069985064 361319249 /nfs/dbraw/zinc/31/92/49/361319249.db2.gz OSDZZEJYFWHQQX-SNVBAGLBSA-N 0 0 244.718 3.557 10 0 BHAERN Cc1ccc(C(=O)[C@@H]2CCCS2)cc1Cl ZINC000069985135 361320353 /nfs/dbraw/zinc/32/03/53/361320353.db2.gz SFVMNTZPAIAPJR-NSHDSACASA-N 0 0 240.755 3.727 10 0 BHAERN Cc1ccc(C(=O)[C@H]2CCCS2)cc1Cl ZINC000069985136 361320336 /nfs/dbraw/zinc/32/03/36/361320336.db2.gz SFVMNTZPAIAPJR-LLVKDONJSA-N 0 0 240.755 3.727 10 0 BHAERN CCC(=O)c1cc(C)c(Br)cc1C ZINC000070021031 374112447 /nfs/dbraw/zinc/11/24/47/374112447.db2.gz LFLQFTFCMJCLSH-UHFFFAOYSA-N 0 0 241.128 3.659 10 0 BHAERN CC[C@H](O)c1cc(C)c(Br)cc1C ZINC000070021647 374112045 /nfs/dbraw/zinc/11/20/45/374112045.db2.gz QGYYHYIOKHASFL-NSHDSACASA-N 0 0 243.144 3.509 10 0 BHAERN CC[C@@H](O)c1cc(C)c(Br)cc1C ZINC000070021649 343946845 /nfs/dbraw/zinc/94/68/45/343946845.db2.gz QGYYHYIOKHASFL-LLVKDONJSA-N 0 0 243.144 3.509 10 0 BHAERN CC(C)(C)CC(=O)c1ccc(N)c(Cl)c1 ZINC000070042136 361382785 /nfs/dbraw/zinc/38/27/85/361382785.db2.gz DRJSGGXEIGIRGY-UHFFFAOYSA-N 0 0 225.719 3.541 10 0 BHAERN CCC(C)(C)C(=O)c1ccc(N)cc1Cl ZINC000070042409 361384114 /nfs/dbraw/zinc/38/41/14/361384114.db2.gz TXIFTUDTFOBFDI-UHFFFAOYSA-N 0 0 225.719 3.541 10 0 BHAERN Fc1cc(Cl)c2nc(Cl)ccc2c1 ZINC000070054996 387044310 /nfs/dbraw/zinc/04/43/10/387044310.db2.gz JPAVBPLAMYQBHF-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN Fc1cc(Cl)cc2ccc(Cl)nc12 ZINC000070055006 361388849 /nfs/dbraw/zinc/38/88/49/361388849.db2.gz YQDDFSMVRDQJTB-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN Fc1c(Cl)ccc2ccc(Cl)nc12 ZINC000070055020 361388213 /nfs/dbraw/zinc/38/82/13/361388213.db2.gz QWVPHLMCGLRZJS-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN Cc1cc(Cl)c2nc(Cl)ccc2c1 ZINC000070055082 361388618 /nfs/dbraw/zinc/38/86/18/361388618.db2.gz ULZMSJFWYOQYHC-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Fc1ccc(Cl)c2ccc(Cl)nc12 ZINC000070055087 384075739 /nfs/dbraw/zinc/07/57/39/384075739.db2.gz WKGWOTQFFHUKOG-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN Cc1ccc(Cl)c2ccc(Cl)nc12 ZINC000070055095 178660840 /nfs/dbraw/zinc/66/08/40/178660840.db2.gz DYWKIBFRFGZQPW-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Clc1ccc2ccc3c(c2n1)CCCC3 ZINC000070055107 361389613 /nfs/dbraw/zinc/38/96/13/361389613.db2.gz GZVZWAFBVHNUMX-UHFFFAOYSA-N 0 0 217.699 3.767 10 0 BHAERN COc1ccc(Cl)c2ccc(Cl)nc12 ZINC000070055110 361389513 /nfs/dbraw/zinc/38/95/13/361389513.db2.gz FNSRFUPQRRYRLA-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN CNc1ccc2ccc(Cl)c(Cl)c2n1 ZINC000070055138 361389604 /nfs/dbraw/zinc/38/96/04/361389604.db2.gz LYTUCWYMFLJUEV-UHFFFAOYSA-N 0 0 227.094 3.583 10 0 BHAERN c1ccc(-c2ccc(N[C@@H]3CCOC3)cc2)cc1 ZINC000070069902 183379668 /nfs/dbraw/zinc/37/96/68/183379668.db2.gz HZAZVZGXDQONLS-MRXNPFEDSA-N 0 0 239.318 3.554 10 0 BHAERN c1ccc(-c2ccc(N[C@H]3CCOC3)cc2)cc1 ZINC000070069903 183379679 /nfs/dbraw/zinc/37/96/79/183379679.db2.gz HZAZVZGXDQONLS-INIZCTEOSA-N 0 0 239.318 3.554 10 0 BHAERN O=C(CCc1ccccc1)c1cccc(F)c1F ZINC000070098557 374120501 /nfs/dbraw/zinc/12/05/01/374120501.db2.gz ZUFJGTIXEAJWSH-UHFFFAOYSA-N 0 0 246.256 3.780 10 0 BHAERN CCCOC(=O)C1CCC(C(C)(C)C)CC1 ZINC000070130682 169297379 /nfs/dbraw/zinc/29/73/79/169297379.db2.gz YVEVHKGYXGUIAS-UHFFFAOYSA-N 0 0 226.360 3.792 10 0 BHAERN C[C@H](Nc1cccc(Cl)n1)c1ccco1 ZINC000070152454 361468751 /nfs/dbraw/zinc/46/87/51/361468751.db2.gz WMRDRPLKZDLMEL-QMMMGPOBSA-N 0 0 222.675 3.501 10 0 BHAERN C[C@@H](Nc1cccc(Cl)n1)c1ccco1 ZINC000070152456 361469641 /nfs/dbraw/zinc/46/96/41/361469641.db2.gz WMRDRPLKZDLMEL-MRVPVSSYSA-N 0 0 222.675 3.501 10 0 BHAERN Clc1ccc(Cn2cccc2)c(Cl)c1 ZINC000070162471 384083007 /nfs/dbraw/zinc/08/30/07/384083007.db2.gz GDBHCRHOBQXQJP-UHFFFAOYSA-N 0 0 226.106 3.843 10 0 BHAERN CC(=O)CCOc1cc(C)ccc1C(C)(C)C ZINC000070163650 188305258 /nfs/dbraw/zinc/30/52/58/188305258.db2.gz ADPBZLDZLHWTKH-UHFFFAOYSA-N 0 0 234.339 3.650 10 0 BHAERN CC1CCC(OC(=O)c2ccccc2F)CC1 ZINC000070166731 168167443 /nfs/dbraw/zinc/16/74/43/168167443.db2.gz ZPBFUZGPXBOSFP-UHFFFAOYSA-N 0 0 236.286 3.561 10 0 BHAERN C[C@@H]1CCCC[C@@H]1OC(=O)c1ccc(F)cc1 ZINC000070166757 176082408 /nfs/dbraw/zinc/08/24/08/176082408.db2.gz YELVOWHQBXAICE-MFKMUULPSA-N 0 0 236.286 3.561 10 0 BHAERN C[C@H]1CCCC[C@@H]1OC(=O)c1ccc(F)cc1 ZINC000070166758 177083237 /nfs/dbraw/zinc/08/32/37/177083237.db2.gz YELVOWHQBXAICE-GWCFXTLKSA-N 0 0 236.286 3.561 10 0 BHAERN C[C@@H]1CCCC[C@H]1OC(=O)c1ccc(F)cc1 ZINC000070166759 176089608 /nfs/dbraw/zinc/08/96/08/176089608.db2.gz YELVOWHQBXAICE-ZWNOBZJWSA-N 0 0 236.286 3.561 10 0 BHAERN C[C@H]1CCCC[C@H]1OC(=O)c1ccc(F)cc1 ZINC000070166760 177089495 /nfs/dbraw/zinc/08/94/95/177089495.db2.gz YELVOWHQBXAICE-GXFFZTMASA-N 0 0 236.286 3.561 10 0 BHAERN CCCCCCNc1nncc2ccccc21 ZINC000070191938 384086953 /nfs/dbraw/zinc/08/69/53/384086953.db2.gz ZTFKXCHHHZIGJE-UHFFFAOYSA-N 0 0 229.327 3.622 10 0 BHAERN Cc1ccccc1C(=O)c1c(F)cccc1F ZINC000070210344 374131450 /nfs/dbraw/zinc/13/14/50/374131450.db2.gz VKEYTDYHGRYYKE-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN Cc1cccc(C(=O)c2c(F)cccc2F)c1 ZINC000070210345 374131017 /nfs/dbraw/zinc/13/10/17/374131017.db2.gz QSUKOCKBRQOFRW-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN O=C(CCc1ccccc1)c1c(F)cccc1F ZINC000070210349 374131172 /nfs/dbraw/zinc/13/11/72/374131172.db2.gz UGJWWBSAMJFPJD-UHFFFAOYSA-N 0 0 246.256 3.780 10 0 BHAERN O=C1CC[C@@H](Sc2ccc(Cl)cc2)C1 ZINC000070234186 361493623 /nfs/dbraw/zinc/49/36/23/361493623.db2.gz CEHNNLHPMGTNSY-LLVKDONJSA-N 0 0 226.728 3.554 10 0 BHAERN O=C1CC[C@H](Sc2ccc(Cl)cc2)C1 ZINC000070234187 361493640 /nfs/dbraw/zinc/49/36/40/361493640.db2.gz CEHNNLHPMGTNSY-NSHDSACASA-N 0 0 226.728 3.554 10 0 BHAERN Cc1ccc(S[C@@H]2CCC(=O)C2)cc1C ZINC000070234208 361493676 /nfs/dbraw/zinc/49/36/76/361493676.db2.gz ZKMQNJUSHSRDTB-CYBMUJFWSA-N 0 0 220.337 3.517 10 0 BHAERN Cc1ccc(S[C@H]2CCC(=O)C2)cc1C ZINC000070234210 361493475 /nfs/dbraw/zinc/49/34/75/361493475.db2.gz ZKMQNJUSHSRDTB-ZDUSSCGKSA-N 0 0 220.337 3.517 10 0 BHAERN Cc1ccc(C)c(S[C@@H]2CCC(=O)C2)c1 ZINC000070234212 361493405 /nfs/dbraw/zinc/49/34/05/361493405.db2.gz DTLXRHUOHDHZBL-GFCCVEGCSA-N 0 0 220.337 3.517 10 0 BHAERN Cc1ccc(C)c(S[C@H]2CCC(=O)C2)c1 ZINC000070234215 343949607 /nfs/dbraw/zinc/94/96/07/343949607.db2.gz DTLXRHUOHDHZBL-LBPRGKRZSA-N 0 0 220.337 3.517 10 0 BHAERN Clc1ccccc1OCc1ccco1 ZINC000070234459 343949502 /nfs/dbraw/zinc/94/95/02/343949502.db2.gz JQHIBQIVMIHRJX-UHFFFAOYSA-N 0 0 208.644 3.512 10 0 BHAERN Clc1ccc(OCc2ccco2)cc1 ZINC000070234463 361494472 /nfs/dbraw/zinc/49/44/72/361494472.db2.gz UWAQWUAYUQBLMB-UHFFFAOYSA-N 0 0 208.644 3.512 10 0 BHAERN Cc1ccc(OCc2cccs2)cc1 ZINC000070234477 361494814 /nfs/dbraw/zinc/49/48/14/361494814.db2.gz CQMHFIRHYUIYLC-UHFFFAOYSA-N 0 0 204.294 3.636 10 0 BHAERN CCc1ccc(OCc2cccc(OC)c2)cc1 ZINC000070236301 398128463 /nfs/dbraw/zinc/12/84/63/398128463.db2.gz YQKQZAZCTBBGKB-UHFFFAOYSA-N 0 0 242.318 3.837 10 0 BHAERN CC(C)(C)C(=O)Nc1ccccc1C(C)(C)C ZINC000070236613 384090197 /nfs/dbraw/zinc/09/01/97/384090197.db2.gz COMOOCXTLGVDIY-UHFFFAOYSA-N 0 0 233.355 3.969 10 0 BHAERN Cc1ccc(NC(=O)Oc2ccccc2)c(F)c1 ZINC000070236620 178740809 /nfs/dbraw/zinc/74/08/09/178740809.db2.gz SHMGBPAHCXWXLC-UHFFFAOYSA-N 0 0 245.253 3.745 10 0 BHAERN Cc1ccc(Cl)c(NC(=O)C(C)C)c1Cl ZINC000070236643 178657404 /nfs/dbraw/zinc/65/74/04/178657404.db2.gz CJWWPXWMQDDPAG-UHFFFAOYSA-N 0 0 246.137 3.896 10 0 BHAERN CCCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000070236663 386332592 /nfs/dbraw/zinc/33/25/92/386332592.db2.gz IHYDMVKZHUKKTC-ZDUSSCGKSA-N 0 0 247.382 3.862 10 0 BHAERN CCCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000070236664 353421899 /nfs/dbraw/zinc/42/18/99/353421899.db2.gz IHYDMVKZHUKKTC-CYBMUJFWSA-N 0 0 247.382 3.862 10 0 BHAERN C[C@H](NC(=O)Oc1ccccc1)c1cccs1 ZINC000070236938 176805924 /nfs/dbraw/zinc/80/59/24/176805924.db2.gz PVLFAYWRGJRFGP-JTQLQIEISA-N 0 0 247.319 3.598 10 0 BHAERN C[C@@H](NC(=O)Oc1ccccc1)c1cccs1 ZINC000070236939 384090890 /nfs/dbraw/zinc/09/08/90/384090890.db2.gz PVLFAYWRGJRFGP-SNVBAGLBSA-N 0 0 247.319 3.598 10 0 BHAERN Cc1ccc(F)cc1NC(=O)Oc1ccccc1 ZINC000070237056 384091077 /nfs/dbraw/zinc/09/10/77/384091077.db2.gz QXRDWVFKDTVGRV-UHFFFAOYSA-N 0 0 245.253 3.745 10 0 BHAERN CCOC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000070237318 170242364 /nfs/dbraw/zinc/24/23/64/170242364.db2.gz UWIFHZSYUOEKEM-LBPRGKRZSA-N 0 0 249.354 3.692 10 0 BHAERN CCOC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000070237319 170242920 /nfs/dbraw/zinc/24/29/20/170242920.db2.gz UWIFHZSYUOEKEM-GFCCVEGCSA-N 0 0 249.354 3.692 10 0 BHAERN c1ccc2c(c1)cccc2OC[C@@H]1CCCCO1 ZINC000070238020 384091243 /nfs/dbraw/zinc/09/12/43/384091243.db2.gz RECJJSXAFGMUIW-AWEZNQCLSA-N 0 0 242.318 3.788 10 0 BHAERN c1ccc2c(c1)cccc2OC[C@H]1CCCCO1 ZINC000070238021 384090403 /nfs/dbraw/zinc/09/04/03/384090403.db2.gz RECJJSXAFGMUIW-CQSZACIVSA-N 0 0 242.318 3.788 10 0 BHAERN CC[C@@H](C)NC(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000070238118 384090515 /nfs/dbraw/zinc/09/05/15/384090515.db2.gz JMCKJZYRFDWWQY-SECBINFHSA-N 0 0 247.382 3.757 10 0 BHAERN CC[C@H](C)NC(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000070238119 171335702 /nfs/dbraw/zinc/33/57/02/171335702.db2.gz JMCKJZYRFDWWQY-VIFPVBQESA-N 0 0 247.382 3.757 10 0 BHAERN CC(C)OCCOc1ccc(C(C)(C)C)cc1 ZINC000070238157 167249081 /nfs/dbraw/zinc/24/90/81/167249081.db2.gz RXUMNMYVDHRNOL-UHFFFAOYSA-N 0 0 236.355 3.788 10 0 BHAERN CC(C)OCCOc1ccccc1C(C)C ZINC000070238165 167249525 /nfs/dbraw/zinc/24/95/25/167249525.db2.gz WLFWSZSQSZFYMV-UHFFFAOYSA-N 0 0 222.328 3.614 10 0 BHAERN Cc1cccc2[nH]c(-c3ccccc3F)nc21 ZINC000070238339 349972172 /nfs/dbraw/zinc/97/21/72/349972172.db2.gz GUBMXVLUWDPKSR-UHFFFAOYSA-N 0 0 226.254 3.677 10 0 BHAERN Cc1cccc2[nH]c(-c3ccccc3C)nc21 ZINC000070238346 349972186 /nfs/dbraw/zinc/97/21/86/349972186.db2.gz AEULMOOTOWUCIO-UHFFFAOYSA-N 0 0 222.291 3.847 10 0 BHAERN O=C1CCCCC[C@H]1CCc1ccsc1 ZINC000070241612 374133061 /nfs/dbraw/zinc/13/30/61/374133061.db2.gz FIINFWTYRHFCKY-LBPRGKRZSA-N 0 0 222.353 3.830 10 0 BHAERN O=C1CCCCC[C@@H]1CCc1ccsc1 ZINC000070241613 374131328 /nfs/dbraw/zinc/13/13/28/374131328.db2.gz FIINFWTYRHFCKY-GFCCVEGCSA-N 0 0 222.353 3.830 10 0 BHAERN CCc1ccccc1OCc1ccc(F)cc1 ZINC000070268495 171891830 /nfs/dbraw/zinc/89/18/30/171891830.db2.gz NUHBOYMMAADSIN-UHFFFAOYSA-N 0 0 230.282 3.967 10 0 BHAERN CCCCC1CCC(C(=O)OC(C)C)CC1 ZINC000070287002 384096938 /nfs/dbraw/zinc/09/69/38/384096938.db2.gz FWAKTGRDWUSTQE-UHFFFAOYSA-N 0 0 226.360 3.935 10 0 BHAERN C[C@H](Nc1nc2ccccc2[nH]1)C1CCCC1 ZINC000070307183 323186234 /nfs/dbraw/zinc/18/62/34/323186234.db2.gz VVEWKUPHHHRERJ-JTQLQIEISA-N 0 0 229.327 3.554 10 0 BHAERN C[C@@H](Nc1nc2ccccc2[nH]1)C1CCCC1 ZINC000070307184 323186188 /nfs/dbraw/zinc/18/61/88/323186188.db2.gz VVEWKUPHHHRERJ-SNVBAGLBSA-N 0 0 229.327 3.554 10 0 BHAERN C[C@H](Nc1cnc2ccccc2n1)C1CCCC1 ZINC000070307255 323186158 /nfs/dbraw/zinc/18/61/58/323186158.db2.gz PIVYXVSMHCTIHU-NSHDSACASA-N 0 0 241.338 3.620 10 0 BHAERN C[C@@H](Nc1cnc2ccccc2n1)C1CCCC1 ZINC000070307256 323186221 /nfs/dbraw/zinc/18/62/21/323186221.db2.gz PIVYXVSMHCTIHU-LLVKDONJSA-N 0 0 241.338 3.620 10 0 BHAERN C[C@H](Nc1nc2ccccc2o1)C1CCCC1 ZINC000070307257 323186063 /nfs/dbraw/zinc/18/60/63/323186063.db2.gz SVZBHHDUWQGYJO-JTQLQIEISA-N 0 0 230.311 3.818 10 0 BHAERN C[C@@H](Nc1nc2ccccc2o1)C1CCCC1 ZINC000070307258 323186080 /nfs/dbraw/zinc/18/60/80/323186080.db2.gz SVZBHHDUWQGYJO-SNVBAGLBSA-N 0 0 230.311 3.818 10 0 BHAERN CC(C)c1cc(N[C@@H](C)C2CCCC2)ncn1 ZINC000070307259 323186248 /nfs/dbraw/zinc/18/62/48/323186248.db2.gz NSARRQWYRBBVKY-NSHDSACASA-N 0 0 233.359 3.591 10 0 BHAERN C[C@@H](Nc1ncnc2ccsc21)C1CCCC1 ZINC000070307344 359048772 /nfs/dbraw/zinc/04/87/72/359048772.db2.gz PCZDIUNXZAJPHK-SECBINFHSA-N 0 0 247.367 3.682 10 0 BHAERN C[C@H](Nc1ncnc2ccccc21)C1CCCC1 ZINC000070307353 371022796 /nfs/dbraw/zinc/02/27/96/371022796.db2.gz MYJZFJBWQMVLSV-NSHDSACASA-N 0 0 241.338 3.620 10 0 BHAERN C[C@@H](Nc1ncnc2ccccc21)C1CCCC1 ZINC000070307354 371022507 /nfs/dbraw/zinc/02/25/07/371022507.db2.gz MYJZFJBWQMVLSV-LLVKDONJSA-N 0 0 241.338 3.620 10 0 BHAERN C[C@H](Nc1ncnc2sccc21)C1CCCC1 ZINC000070307365 359048460 /nfs/dbraw/zinc/04/84/60/359048460.db2.gz CSSVZZHXTRBQET-VIFPVBQESA-N 0 0 247.367 3.682 10 0 BHAERN C[C@@H](Nc1ncnc2sccc21)C1CCCC1 ZINC000070307366 359049081 /nfs/dbraw/zinc/04/90/81/359049081.db2.gz CSSVZZHXTRBQET-SECBINFHSA-N 0 0 247.367 3.682 10 0 BHAERN CC(C)(C)c1ccc(-c2cccnc2N)cc1 ZINC000070318427 345668571 /nfs/dbraw/zinc/66/85/71/345668571.db2.gz FHWSOKHHBFGOFY-UHFFFAOYSA-N 0 0 226.323 3.628 10 0 BHAERN Cc1ccccc1N[C@@H]1CCO[C@H](C(C)C)C1 ZINC000070345170 355551011 /nfs/dbraw/zinc/55/10/11/355551011.db2.gz CBPIXLZKPWNIAB-HIFRSBDPSA-N 0 0 233.355 3.611 10 0 BHAERN Cc1ccccc1N[C@H]1CCO[C@H](C(C)C)C1 ZINC000070345171 355551057 /nfs/dbraw/zinc/55/10/57/355551057.db2.gz CBPIXLZKPWNIAB-ZFWWWQNUSA-N 0 0 233.355 3.611 10 0 BHAERN Cc1ccccc1N[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000070345172 355552087 /nfs/dbraw/zinc/55/20/87/355552087.db2.gz CBPIXLZKPWNIAB-UKRRQHHQSA-N 0 0 233.355 3.611 10 0 BHAERN Cc1ccccc1N[C@H]1CCO[C@@H](C(C)C)C1 ZINC000070345173 355552094 /nfs/dbraw/zinc/55/20/94/355552094.db2.gz CBPIXLZKPWNIAB-DZGCQCFKSA-N 0 0 233.355 3.611 10 0 BHAERN O=C(c1ccc(F)c2ccccc12)C1CCC1 ZINC000070372708 374139827 /nfs/dbraw/zinc/13/98/27/374139827.db2.gz ZJUJQLCQCQMAOD-UHFFFAOYSA-N 0 0 228.266 3.962 10 0 BHAERN Nc1nc(-c2ccc(F)c3ccccc23)cs1 ZINC000070373351 385865775 /nfs/dbraw/zinc/86/57/75/385865775.db2.gz FZIDUVOCOYBHST-UHFFFAOYSA-N 0 0 244.294 3.685 10 0 BHAERN CC(C)c1ccc(CCc2cccnc2N)cc1 ZINC000070407663 345702975 /nfs/dbraw/zinc/70/29/75/345702975.db2.gz GGEIULGERJDXCX-UHFFFAOYSA-N 0 0 240.350 3.572 10 0 BHAERN Nc1cc2[nH]ccc2c(SC2CCCC2)c1 ZINC000070453779 361517117 /nfs/dbraw/zinc/51/71/17/361517117.db2.gz JERALRNYXGTWQL-UHFFFAOYSA-N 0 0 232.352 3.785 10 0 BHAERN Cn1ccc2c1cc(N)cc2SC1CCCC1 ZINC000070453784 374143860 /nfs/dbraw/zinc/14/38/60/374143860.db2.gz CPRUKFVEVIVWTC-UHFFFAOYSA-N 0 0 246.379 3.795 10 0 BHAERN c1ccc2c(c1)N[C@@H]1CCCCCC[C@@H]1O2 ZINC000070453819 374143717 /nfs/dbraw/zinc/14/37/17/374143717.db2.gz BPSCTCNQLNDRAL-YPMHNXCESA-N 0 0 217.312 3.582 10 0 BHAERN O=C(Cc1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000070503431 361528132 /nfs/dbraw/zinc/52/81/32/361528132.db2.gz BDVXFTLIHIOPQB-UHFFFAOYSA-N 0 0 243.133 3.905 10 0 BHAERN C[C@@H]1C[C@@H]1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070503432 361528004 /nfs/dbraw/zinc/52/80/04/361528004.db2.gz JWNNOBBOVKDPAY-APPZFPTMSA-N 0 0 243.133 3.761 10 0 BHAERN C[C@H]1C[C@@H]1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070503433 361527646 /nfs/dbraw/zinc/52/76/46/361527646.db2.gz JWNNOBBOVKDPAY-CBAPKCEASA-N 0 0 243.133 3.761 10 0 BHAERN C[C@@H]1C[C@H]1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070503434 361528037 /nfs/dbraw/zinc/52/80/37/361528037.db2.gz JWNNOBBOVKDPAY-VXNVDRBHSA-N 0 0 243.133 3.761 10 0 BHAERN C[C@H]1C[C@H]1C(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000070503435 361528062 /nfs/dbraw/zinc/52/80/62/361528062.db2.gz JWNNOBBOVKDPAY-IONNQARKSA-N 0 0 243.133 3.761 10 0 BHAERN C[C@@H]1CCC[C@H](C(=O)c2ccsc2)C1 ZINC000070566216 361560397 /nfs/dbraw/zinc/56/03/97/361560397.db2.gz FOOKIBFUEBKTMP-ZJUUUORDSA-N 0 0 208.326 3.757 10 0 BHAERN C[C@H]1CCC[C@H](C(=O)c2ccsc2)C1 ZINC000070566217 361560429 /nfs/dbraw/zinc/56/04/29/361560429.db2.gz FOOKIBFUEBKTMP-UWVGGRQHSA-N 0 0 208.326 3.757 10 0 BHAERN C[C@@H]1CCC[C@@H](C(=O)c2ccsc2)C1 ZINC000070566218 361559956 /nfs/dbraw/zinc/55/99/56/361559956.db2.gz FOOKIBFUEBKTMP-NXEZZACHSA-N 0 0 208.326 3.757 10 0 BHAERN C[C@H]1CCC[C@@H](C(=O)c2ccsc2)C1 ZINC000070566219 361560718 /nfs/dbraw/zinc/56/07/18/361560718.db2.gz FOOKIBFUEBKTMP-VHSXEESVSA-N 0 0 208.326 3.757 10 0 BHAERN CC[C@@H]1CCC[C@H](C(=O)c2ccco2)C1 ZINC000070566356 343952426 /nfs/dbraw/zinc/95/24/26/343952426.db2.gz KJOXMSKLKVZRAC-MNOVXSKESA-N 0 0 206.285 3.679 10 0 BHAERN CC[C@H]1CCC[C@H](C(=O)c2ccco2)C1 ZINC000070566357 361560884 /nfs/dbraw/zinc/56/08/84/361560884.db2.gz KJOXMSKLKVZRAC-QWRGUYRKSA-N 0 0 206.285 3.679 10 0 BHAERN CC[C@@H]1CCC[C@@H](C(=O)c2ccco2)C1 ZINC000070566358 361561511 /nfs/dbraw/zinc/56/15/11/361561511.db2.gz KJOXMSKLKVZRAC-GHMZBOCLSA-N 0 0 206.285 3.679 10 0 BHAERN CC[C@H]1CCC[C@@H](C(=O)c2ccco2)C1 ZINC000070566359 361561424 /nfs/dbraw/zinc/56/14/24/361561424.db2.gz KJOXMSKLKVZRAC-WDEREUQCSA-N 0 0 206.285 3.679 10 0 BHAERN CC[C@@H]1CCC[C@H](C(=O)c2ccoc2)C1 ZINC000070566420 361561472 /nfs/dbraw/zinc/56/14/72/361561472.db2.gz YNLGONSYHYRYNH-MNOVXSKESA-N 0 0 206.285 3.679 10 0 BHAERN CC[C@H]1CCC[C@H](C(=O)c2ccoc2)C1 ZINC000070566421 361561750 /nfs/dbraw/zinc/56/17/50/361561750.db2.gz YNLGONSYHYRYNH-QWRGUYRKSA-N 0 0 206.285 3.679 10 0 BHAERN CC[C@@H]1CCC[C@@H](C(=O)c2ccoc2)C1 ZINC000070566422 361561457 /nfs/dbraw/zinc/56/14/57/361561457.db2.gz YNLGONSYHYRYNH-GHMZBOCLSA-N 0 0 206.285 3.679 10 0 BHAERN CC[C@H]1CCC[C@@H](C(=O)c2ccoc2)C1 ZINC000070566423 361561417 /nfs/dbraw/zinc/56/14/17/361561417.db2.gz YNLGONSYHYRYNH-WDEREUQCSA-N 0 0 206.285 3.679 10 0 BHAERN C[C@@H]1CCC[C@H]([C@@H]2CCCCCC2=O)C1 ZINC000070567390 361559254 /nfs/dbraw/zinc/55/92/54/361559254.db2.gz GBTGFEBEFKLDFO-AGIUHOORSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@@H]1CCC[C@@H]([C@@H]2CCCCCC2=O)C1 ZINC000070567392 361559104 /nfs/dbraw/zinc/55/91/04/361559104.db2.gz GBTGFEBEFKLDFO-UPJWGTAASA-N 0 0 208.345 3.962 10 0 BHAERN CC[C@@H]1CCCC[C@]1(O)c1cccs1 ZINC000070568799 343952544 /nfs/dbraw/zinc/95/25/44/343952544.db2.gz MYEKHLLKQRKBOQ-ZYHUDNBSSA-N 0 0 210.342 3.536 10 0 BHAERN CC[C@H]1CCCC[C@]1(O)c1cccs1 ZINC000070568800 343952257 /nfs/dbraw/zinc/95/22/57/343952257.db2.gz MYEKHLLKQRKBOQ-CMPLNLGQSA-N 0 0 210.342 3.536 10 0 BHAERN CC[C@@H]1CCCC[C@@]1(O)c1cccs1 ZINC000070568801 361563615 /nfs/dbraw/zinc/56/36/15/361563615.db2.gz MYEKHLLKQRKBOQ-PWSUYJOCSA-N 0 0 210.342 3.536 10 0 BHAERN CC[C@H]1CCCC[C@@]1(O)c1cccs1 ZINC000070568802 361563099 /nfs/dbraw/zinc/56/30/99/361563099.db2.gz MYEKHLLKQRKBOQ-JQWIXIFHSA-N 0 0 210.342 3.536 10 0 BHAERN CC1SC(=S)N=C1c1ccc(F)cc1 ZINC000070598215 180558258 /nfs/dbraw/zinc/55/82/58/180558258.db2.gz NKIMXPMELPSHEG-UHFFFAOYSA-N 0 0 225.313 3.546 10 0 BHAERN S=c1[nH]c(-c2ccc(Cl)s2)cs1 ZINC000070598232 361582087 /nfs/dbraw/zinc/58/20/87/361582087.db2.gz LTSJDHUUDQODLW-UHFFFAOYSA-N 0 0 233.770 3.814 10 0 BHAERN S=C1N=C(c2ccccc2Cl)CS1 ZINC000070598250 361582133 /nfs/dbraw/zinc/58/21/33/361582133.db2.gz BIHIUGHCIBSOJK-UHFFFAOYSA-N 0 0 227.741 3.752 10 0 BHAERN S=C1N=C2c3ccccc3SCC2S1 ZINC000070598258 361582120 /nfs/dbraw/zinc/58/21/20/361582120.db2.gz ZZKXIPMHHNPSCA-UHFFFAOYSA-N 0 0 237.374 3.705 10 0 BHAERN CCc1ccc(C2=NC(=S)SC2)s1 ZINC000070598264 361581656 /nfs/dbraw/zinc/58/16/56/361581656.db2.gz KPBVYARFVJMNEB-UHFFFAOYSA-N 0 0 227.379 3.723 10 0 BHAERN Cc1ccc(C2=NC(=S)SC2C)cc1 ZINC000070598287 178335820 /nfs/dbraw/zinc/33/58/20/178335820.db2.gz VQJXTKHQKFGYAB-UHFFFAOYSA-N 0 0 221.350 3.716 10 0 BHAERN Cc1ccc(C2=NC(=S)SC2)c(C)c1 ZINC000070598310 178330456 /nfs/dbraw/zinc/33/04/56/178330456.db2.gz JWHQSGBEWFKEOR-UHFFFAOYSA-N 0 0 221.350 3.716 10 0 BHAERN CCC1SC(=S)N=C1c1ccccc1 ZINC000070598313 172129805 /nfs/dbraw/zinc/12/98/05/172129805.db2.gz CGPLNSSCVROQME-UHFFFAOYSA-N 0 0 221.350 3.661 10 0 BHAERN CCCCC(=O)c1cc(Br)cs1 ZINC000070598565 361580328 /nfs/dbraw/zinc/58/03/28/361580328.db2.gz PEXHPTDSVMUJGB-UHFFFAOYSA-N 0 0 247.157 3.884 10 0 BHAERN CC(C)(C)[C@H](O)c1cc(Br)cs1 ZINC000070598872 361582998 /nfs/dbraw/zinc/58/29/98/361582998.db2.gz GWDUWKDEYUBDOW-MRVPVSSYSA-N 0 0 249.173 3.590 10 0 BHAERN CC(C)(C)[C@@H](O)c1cc(Br)cs1 ZINC000070598873 343952669 /nfs/dbraw/zinc/95/26/69/343952669.db2.gz GWDUWKDEYUBDOW-QMMMGPOBSA-N 0 0 249.173 3.590 10 0 BHAERN Cc1csc(NCc2ccc(Cl)s2)n1 ZINC000070600663 388050681 /nfs/dbraw/zinc/05/06/81/388050681.db2.gz FULCADRZXFNXGP-UHFFFAOYSA-N 0 0 244.772 3.779 10 0 BHAERN Fc1ccc(-c2n[nH]cc2Cl)c(Cl)c1 ZINC000070602992 361589418 /nfs/dbraw/zinc/58/94/18/361589418.db2.gz FHCVKVRXPIVOFK-UHFFFAOYSA-N 0 0 231.057 3.523 10 0 BHAERN CC(=O)c1ccc(OC(C)(C)C)cc1Cl ZINC000070603113 343953072 /nfs/dbraw/zinc/95/30/72/343953072.db2.gz WVYTUCRBIYAPLF-UHFFFAOYSA-N 0 0 226.703 3.720 10 0 BHAERN CCSc1ccc(C(C)=O)c(Cl)c1 ZINC000070603134 343952783 /nfs/dbraw/zinc/95/27/83/343952783.db2.gz SZXJOUXPOGFHTJ-UHFFFAOYSA-N 0 0 214.717 3.655 10 0 BHAERN CC1(C)CCC(O)(c2cccs2)CC1 ZINC000070654571 361698688 /nfs/dbraw/zinc/69/86/88/361698688.db2.gz HQDJEWMVNSCZAH-UHFFFAOYSA-N 0 0 210.342 3.536 10 0 BHAERN CC1(C)CCC(Nc2nccs2)CC1 ZINC000070655397 361699605 /nfs/dbraw/zinc/69/96/05/361699605.db2.gz YUDGNFIDPDZTHF-UHFFFAOYSA-N 0 0 210.346 3.524 10 0 BHAERN CC[C@@H](COC)Nc1ccccc1C(C)C ZINC000070656156 325019747 /nfs/dbraw/zinc/01/97/47/325019747.db2.gz MCIHIDPMRTYBDT-LBPRGKRZSA-N 0 0 221.344 3.647 10 0 BHAERN CC[C@H](COC)Nc1ccccc1C(C)C ZINC000070656157 325019252 /nfs/dbraw/zinc/01/92/52/325019252.db2.gz MCIHIDPMRTYBDT-GFCCVEGCSA-N 0 0 221.344 3.647 10 0 BHAERN O=C(c1cccc2ccccc21)C1CCC1 ZINC000070679832 361711703 /nfs/dbraw/zinc/71/17/03/361711703.db2.gz HNTFOROKWVWCMV-UHFFFAOYSA-N 0 0 210.276 3.823 10 0 BHAERN Cc1ccc(C(=O)C2CC2)c2ccccc12 ZINC000070679842 178371282 /nfs/dbraw/zinc/37/12/82/178371282.db2.gz GPVZEHWBUDYYJB-UHFFFAOYSA-N 0 0 210.276 3.741 10 0 BHAERN Cc1ccc(C(=O)C(C)C)c2ccccc12 ZINC000070679844 361711691 /nfs/dbraw/zinc/71/16/91/361711691.db2.gz YPRDEVOPWLJORE-UHFFFAOYSA-N 0 0 212.292 3.987 10 0 BHAERN Cc1ccc(C[C@@H](C)n2cccc2)s1 ZINC000070716967 374181549 /nfs/dbraw/zinc/18/15/49/374181549.db2.gz QHCPRSJVEJATMQ-SNVBAGLBSA-N 0 0 205.326 3.662 10 0 BHAERN Cc1ccc(C[C@H](C)n2cccc2)s1 ZINC000070716969 374182342 /nfs/dbraw/zinc/18/23/42/374182342.db2.gz QHCPRSJVEJATMQ-JTQLQIEISA-N 0 0 205.326 3.662 10 0 BHAERN Cc1ccccc1[C@@H](C)NC(=O)CC1CCCC1 ZINC000070731926 179319490 /nfs/dbraw/zinc/31/94/90/179319490.db2.gz GTCLZIVWKCXILI-CYBMUJFWSA-N 0 0 245.366 3.753 10 0 BHAERN Cc1ccccc1[C@H](C)NC(=O)CC1CCCC1 ZINC000070731927 179336080 /nfs/dbraw/zinc/33/60/80/179336080.db2.gz GTCLZIVWKCXILI-ZDUSSCGKSA-N 0 0 245.366 3.753 10 0 BHAERN CCC(CC)C(=O)N[C@@H](C)c1ccccc1C ZINC000070731930 411501705 /nfs/dbraw/zinc/50/17/05/411501705.db2.gz QYHRKGZFSNKJQT-LBPRGKRZSA-N 0 0 233.355 3.608 10 0 BHAERN C[C@@H](N[C@@H](C)c1cccs1)c1nccs1 ZINC000070732194 383961553 /nfs/dbraw/zinc/96/15/53/383961553.db2.gz JFKCKCLBXAAFEL-DTWKUNHWSA-N 0 0 238.381 3.616 10 0 BHAERN C[C@@H](N[C@H](C)c1nccs1)c1cccs1 ZINC000070732195 175920592 /nfs/dbraw/zinc/92/05/92/175920592.db2.gz JFKCKCLBXAAFEL-RKDXNWHRSA-N 0 0 238.381 3.616 10 0 BHAERN CCC(CC)CNc1ccc(O)cc1C ZINC000070735631 168366282 /nfs/dbraw/zinc/36/62/82/168366282.db2.gz MFRVFBDLLUAZKH-UHFFFAOYSA-N 0 0 207.317 3.549 10 0 BHAERN Cc1cc(O)ccc1NCCC(C)(C)C ZINC000070735742 178200886 /nfs/dbraw/zinc/20/08/86/178200886.db2.gz HDHLRJDDJQDFAD-UHFFFAOYSA-N 0 0 207.317 3.549 10 0 BHAERN CCC[C@@H](C)CNc1ccc(O)cc1C ZINC000070735776 169361088 /nfs/dbraw/zinc/36/10/88/169361088.db2.gz IBWMERHCOBRCKO-SNVBAGLBSA-N 0 0 207.317 3.549 10 0 BHAERN O=C1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000070737413 384134379 /nfs/dbraw/zinc/13/43/79/384134379.db2.gz GOIKJBFDOSEDRS-SNVBAGLBSA-N 0 0 208.688 3.567 10 0 BHAERN Cc1ccc(C)c([C@@H]2CCCC(=O)C2)c1 ZINC000070737444 178498350 /nfs/dbraw/zinc/49/83/50/178498350.db2.gz SZZFPVWWQFPKQX-GFCCVEGCSA-N 0 0 202.297 3.530 10 0 BHAERN Cc1ccc([C@@H]2CCCC(=O)C2)c(C)c1 ZINC000070737462 178870995 /nfs/dbraw/zinc/87/09/95/178870995.db2.gz JVIGRZSGHGKPPR-GFCCVEGCSA-N 0 0 202.297 3.530 10 0 BHAERN Cc1ccc([C@@H]2CCCC(=O)C2)cc1C ZINC000070737619 388237779 /nfs/dbraw/zinc/23/77/79/388237779.db2.gz UPZRURRPCGKTEF-GFCCVEGCSA-N 0 0 202.297 3.530 10 0 BHAERN Cc1ccc([C@H]2CCCC(=O)C2)cc1C ZINC000070737620 178917938 /nfs/dbraw/zinc/91/79/38/178917938.db2.gz UPZRURRPCGKTEF-LBPRGKRZSA-N 0 0 202.297 3.530 10 0 BHAERN CCCc1ccc([C@@H]2CCCC(=O)C2)cc1 ZINC000070737625 169574501 /nfs/dbraw/zinc/57/45/01/169574501.db2.gz RYRAKIDEEJUEHG-CQSZACIVSA-N 0 0 216.324 3.866 10 0 BHAERN CCCc1ccc([C@H]2CCCC(=O)C2)cc1 ZINC000070737626 169575561 /nfs/dbraw/zinc/57/55/61/169575561.db2.gz RYRAKIDEEJUEHG-AWEZNQCLSA-N 0 0 216.324 3.866 10 0 BHAERN Cc1cc(C)cc([C@@H]2CCCC(=O)C2)c1 ZINC000070737730 361748549 /nfs/dbraw/zinc/74/85/49/361748549.db2.gz WIZIYFZZCAITQV-GFCCVEGCSA-N 0 0 202.297 3.530 10 0 BHAERN O=C1CCC[C@@H](Cc2ccc(Cl)s2)C1 ZINC000070737744 361749238 /nfs/dbraw/zinc/74/92/38/361749238.db2.gz KKJQTRMKWKRGBJ-MRVPVSSYSA-N 0 0 228.744 3.703 10 0 BHAERN O=C1CCC[C@H](Cc2ccc(Cl)s2)C1 ZINC000070737747 361749309 /nfs/dbraw/zinc/74/93/09/361749309.db2.gz KKJQTRMKWKRGBJ-QMMMGPOBSA-N 0 0 228.744 3.703 10 0 BHAERN CCc1ccc(C[C@@H]2CCCC(=O)C2)s1 ZINC000070737751 361749664 /nfs/dbraw/zinc/74/96/64/361749664.db2.gz PEDSJNFVGYJHOL-SNVBAGLBSA-N 0 0 222.353 3.612 10 0 BHAERN CCc1ccc(C[C@H]2CCCC(=O)C2)s1 ZINC000070737752 361749563 /nfs/dbraw/zinc/74/95/63/361749563.db2.gz PEDSJNFVGYJHOL-JTQLQIEISA-N 0 0 222.353 3.612 10 0 BHAERN O=C1CCC[C@@H](c2ccccc2Cl)C1 ZINC000070737792 398095955 /nfs/dbraw/zinc/09/59/55/398095955.db2.gz UEQNZFVVYHRYOX-SECBINFHSA-N 0 0 208.688 3.567 10 0 BHAERN O=C1CCC[C@H](c2ccccc2Cl)C1 ZINC000070737793 398095900 /nfs/dbraw/zinc/09/59/00/398095900.db2.gz UEQNZFVVYHRYOX-VIFPVBQESA-N 0 0 208.688 3.567 10 0 BHAERN O=C1CCC[C@@H](Cc2ccccc2Cl)C1 ZINC000070737798 343954702 /nfs/dbraw/zinc/95/47/02/343954702.db2.gz BWNZCKZXGUPSIT-JTQLQIEISA-N 0 0 222.715 3.642 10 0 BHAERN O=C1CCC[C@H](Cc2ccccc2Cl)C1 ZINC000070737801 374185480 /nfs/dbraw/zinc/18/54/80/374185480.db2.gz BWNZCKZXGUPSIT-SNVBAGLBSA-N 0 0 222.715 3.642 10 0 BHAERN Cc1cccc([C@@H]2CCCC(=O)C2)c1C ZINC000070737967 179189278 /nfs/dbraw/zinc/18/92/78/179189278.db2.gz JDJBAJKBBWPWCG-GFCCVEGCSA-N 0 0 202.297 3.530 10 0 BHAERN COc1ccc(Cl)cc1[C@@H]1CCCC(=O)C1 ZINC000070737972 175121674 /nfs/dbraw/zinc/12/16/74/175121674.db2.gz OAHYFHJBJVAAAW-SECBINFHSA-N 0 0 238.714 3.575 10 0 BHAERN COc1ccc(Cl)cc1[C@H]1CCCC(=O)C1 ZINC000070737974 175123112 /nfs/dbraw/zinc/12/31/12/175123112.db2.gz OAHYFHJBJVAAAW-VIFPVBQESA-N 0 0 238.714 3.575 10 0 BHAERN O=C1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000070738020 182749301 /nfs/dbraw/zinc/74/93/01/182749301.db2.gz QZZINAVCTWZGPP-SSDOTTSWSA-N 0 0 229.106 3.830 10 0 BHAERN O=C1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000070738022 398095949 /nfs/dbraw/zinc/09/59/49/398095949.db2.gz QZZINAVCTWZGPP-ZETCQYMHSA-N 0 0 229.106 3.830 10 0 BHAERN O=C1CC[C@@H](Cc2c(Cl)cccc2Cl)C1 ZINC000070738348 374186156 /nfs/dbraw/zinc/18/61/56/374186156.db2.gz VENILJLRPWMTQH-MRVPVSSYSA-N 0 0 243.133 3.905 10 0 BHAERN O=C1CC[C@H](Cc2c(Cl)cccc2Cl)C1 ZINC000070738350 374186111 /nfs/dbraw/zinc/18/61/11/374186111.db2.gz VENILJLRPWMTQH-QMMMGPOBSA-N 0 0 243.133 3.905 10 0 BHAERN O=C1CC[C@@H](Cc2ccc(Cl)cc2Cl)C1 ZINC000070738402 374185603 /nfs/dbraw/zinc/18/56/03/374185603.db2.gz YYPADGMDDLFSPS-QMMMGPOBSA-N 0 0 243.133 3.905 10 0 BHAERN O=C1CC[C@H](Cc2ccc(Cl)cc2Cl)C1 ZINC000070738404 374186291 /nfs/dbraw/zinc/18/62/91/374186291.db2.gz YYPADGMDDLFSPS-MRVPVSSYSA-N 0 0 243.133 3.905 10 0 BHAERN O=C1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000070738476 388237784 /nfs/dbraw/zinc/23/77/84/388237784.db2.gz ZYDKUECEDMXYHB-SECBINFHSA-N 0 0 228.213 3.542 10 0 BHAERN O=C1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000070738477 398095991 /nfs/dbraw/zinc/09/59/91/398095991.db2.gz ZYDKUECEDMXYHB-VIFPVBQESA-N 0 0 228.213 3.542 10 0 BHAERN O=C1CC[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000070738488 388237908 /nfs/dbraw/zinc/23/79/08/388237908.db2.gz ZOSWQFAFQLAGCT-MRVPVSSYSA-N 0 0 228.213 3.542 10 0 BHAERN O=C1CC[C@H](c2ccccc2C(F)(F)F)C1 ZINC000070738492 384189863 /nfs/dbraw/zinc/18/98/63/384189863.db2.gz ZOSWQFAFQLAGCT-QMMMGPOBSA-N 0 0 228.213 3.542 10 0 BHAERN CC(=O)CCCc1ccc(C(F)(F)F)cc1 ZINC000070738683 350055039 /nfs/dbraw/zinc/05/50/39/350055039.db2.gz VFDXIOFTICVLAQ-UHFFFAOYSA-N 0 0 230.229 3.617 10 0 BHAERN CC(=O)CCc1cccc(Cl)c1Cl ZINC000070738711 188305238 /nfs/dbraw/zinc/30/52/38/188305238.db2.gz JIFLNAKOVKKWCX-UHFFFAOYSA-N 0 0 217.095 3.515 10 0 BHAERN CC(=O)CCc1cc(Cl)ccc1Cl ZINC000070738813 188130060 /nfs/dbraw/zinc/13/00/60/188130060.db2.gz SDBCJTOPYWLGCN-UHFFFAOYSA-N 0 0 217.095 3.515 10 0 BHAERN CCC(=O)CCc1ccccc1C(F)(F)F ZINC000070739243 342747084 /nfs/dbraw/zinc/74/70/84/342747084.db2.gz HQQXVXPJFQXCTA-UHFFFAOYSA-N 0 0 230.229 3.617 10 0 BHAERN O=C1CCCC[C@@H](CCc2cccs2)C1 ZINC000070740359 361751315 /nfs/dbraw/zinc/75/13/15/361751315.db2.gz MRMFTYKVVPWHNK-NSHDSACASA-N 0 0 222.353 3.830 10 0 BHAERN O=C1CCCC[C@H](CCc2cccs2)C1 ZINC000070740361 361751614 /nfs/dbraw/zinc/75/16/14/361751614.db2.gz MRMFTYKVVPWHNK-LLVKDONJSA-N 0 0 222.353 3.830 10 0 BHAERN O=C1CCCC[C@@H](c2ccccc2Cl)C1 ZINC000070740365 361751488 /nfs/dbraw/zinc/75/14/88/361751488.db2.gz PPBBPSMHRYPQSI-SNVBAGLBSA-N 0 0 222.715 3.957 10 0 BHAERN O=C1CCCC[C@H](c2ccccc2Cl)C1 ZINC000070740366 361752554 /nfs/dbraw/zinc/75/25/54/361752554.db2.gz PPBBPSMHRYPQSI-JTQLQIEISA-N 0 0 222.715 3.957 10 0 BHAERN O=C1CCCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000070740386 343955299 /nfs/dbraw/zinc/95/52/99/343955299.db2.gz WUGGNYMJCDFXFO-LLVKDONJSA-N 0 0 222.715 3.957 10 0 BHAERN O=C1CCCC[C@H](c2ccc(Cl)cc2)C1 ZINC000070740387 361752935 /nfs/dbraw/zinc/75/29/35/361752935.db2.gz WUGGNYMJCDFXFO-NSHDSACASA-N 0 0 222.715 3.957 10 0 BHAERN C[C@@H]1CCC[C@H]([C@@H]2CCCCC(=O)C2)C1 ZINC000070740416 343955318 /nfs/dbraw/zinc/95/53/18/343955318.db2.gz ZSKWYEHXZQOOJX-FRRDWIJNSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@@H]1CCC[C@@H]([C@@H]2CCCCC(=O)C2)C1 ZINC000070740423 343955341 /nfs/dbraw/zinc/95/53/41/343955341.db2.gz ZSKWYEHXZQOOJX-JHJVBQTASA-N 0 0 208.345 3.962 10 0 BHAERN Cc1cccc([C@@H]2CCCCC(=O)C2)c1 ZINC000070740428 361752790 /nfs/dbraw/zinc/75/27/90/361752790.db2.gz KMXQLSWGXMJBJG-CYBMUJFWSA-N 0 0 202.297 3.612 10 0 BHAERN Cc1cccc([C@H]2CCCCC(=O)C2)c1 ZINC000070740430 361752958 /nfs/dbraw/zinc/75/29/58/361752958.db2.gz KMXQLSWGXMJBJG-ZDUSSCGKSA-N 0 0 202.297 3.612 10 0 BHAERN Cc1ccc([C@@H]2CCCCC(=O)C2)cc1 ZINC000070740433 361752565 /nfs/dbraw/zinc/75/25/65/361752565.db2.gz GXNFLXDGEPDYOK-CYBMUJFWSA-N 0 0 202.297 3.612 10 0 BHAERN Cc1ccc([C@H]2CCCCC(=O)C2)cc1 ZINC000070740434 361752564 /nfs/dbraw/zinc/75/25/64/361752564.db2.gz GXNFLXDGEPDYOK-ZDUSSCGKSA-N 0 0 202.297 3.612 10 0 BHAERN Cc1ccccc1[C@@H]1CCCCC(=O)C1 ZINC000070740584 343955237 /nfs/dbraw/zinc/95/52/37/343955237.db2.gz SGAGHKNZPPPUKH-GFCCVEGCSA-N 0 0 202.297 3.612 10 0 BHAERN Cc1ccccc1[C@H]1CCCCC(=O)C1 ZINC000070740586 361752981 /nfs/dbraw/zinc/75/29/81/361752981.db2.gz SGAGHKNZPPPUKH-LBPRGKRZSA-N 0 0 202.297 3.612 10 0 BHAERN C[C@@H]1CC[C@H](Nc2cc(F)ccc2F)C1 ZINC000070747870 176234818 /nfs/dbraw/zinc/23/48/18/176234818.db2.gz BWMBTVFIKXBHTR-SCZZXKLOSA-N 0 0 211.255 3.565 10 0 BHAERN C[C@H]1CC[C@H](Nc2cc(F)ccc2F)C1 ZINC000070747871 177205686 /nfs/dbraw/zinc/20/56/86/177205686.db2.gz BWMBTVFIKXBHTR-WPRPVWTQSA-N 0 0 211.255 3.565 10 0 BHAERN C[C@@H]1CC[C@@H](Nc2cc(F)ccc2F)C1 ZINC000070747872 176214423 /nfs/dbraw/zinc/21/44/23/176214423.db2.gz BWMBTVFIKXBHTR-PSASIEDQSA-N 0 0 211.255 3.565 10 0 BHAERN C[C@H]1CC[C@@H](Nc2cc(F)ccc2F)C1 ZINC000070747874 177194015 /nfs/dbraw/zinc/19/40/15/177194015.db2.gz BWMBTVFIKXBHTR-WCBMZHEXSA-N 0 0 211.255 3.565 10 0 BHAERN C[C@@H]1CC[C@H](Nc2ccccc2Cl)C1 ZINC000070748356 343955306 /nfs/dbraw/zinc/95/53/06/343955306.db2.gz HMJOUSYPBQWLSY-ZJUUUORDSA-N 0 0 209.720 3.941 10 0 BHAERN C[C@H]1CC[C@H](Nc2ccccc2Cl)C1 ZINC000070748358 361753799 /nfs/dbraw/zinc/75/37/99/361753799.db2.gz HMJOUSYPBQWLSY-UWVGGRQHSA-N 0 0 209.720 3.941 10 0 BHAERN C[C@@H]1CC[C@@H](Nc2ccccc2Cl)C1 ZINC000070748361 361753953 /nfs/dbraw/zinc/75/39/53/361753953.db2.gz HMJOUSYPBQWLSY-NXEZZACHSA-N 0 0 209.720 3.941 10 0 BHAERN C[C@H]1CC[C@@H](Nc2ccccc2Cl)C1 ZINC000070748363 361753904 /nfs/dbraw/zinc/75/39/04/361753904.db2.gz HMJOUSYPBQWLSY-VHSXEESVSA-N 0 0 209.720 3.941 10 0 BHAERN CC[C@@H]1CC[C@H](Nc2cccc(OC)c2)C1 ZINC000070748636 325028329 /nfs/dbraw/zinc/02/83/29/325028329.db2.gz OBQOXGVJWBDIEO-YPMHNXCESA-N 0 0 219.328 3.686 10 0 BHAERN CC[C@H]1CC[C@H](Nc2cccc(OC)c2)C1 ZINC000070748637 325028257 /nfs/dbraw/zinc/02/82/57/325028257.db2.gz OBQOXGVJWBDIEO-AAEUAGOBSA-N 0 0 219.328 3.686 10 0 BHAERN CC[C@@H]1CC[C@@H](Nc2cccc(OC)c2)C1 ZINC000070748639 325028280 /nfs/dbraw/zinc/02/82/80/325028280.db2.gz OBQOXGVJWBDIEO-DGCLKSJQSA-N 0 0 219.328 3.686 10 0 BHAERN CC[C@H]1CC[C@@H](Nc2cccc(OC)c2)C1 ZINC000070748640 325028137 /nfs/dbraw/zinc/02/81/37/325028137.db2.gz OBQOXGVJWBDIEO-WCQYABFASA-N 0 0 219.328 3.686 10 0 BHAERN O[C@H]1CC[C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000070771597 361755579 /nfs/dbraw/zinc/75/55/79/361755579.db2.gz WMCGKCCDZXQUPN-APPZFPTMSA-N 0 0 231.122 3.622 10 0 BHAERN O[C@H]1CC[C@H](c2cc(Cl)ccc2Cl)C1 ZINC000070771601 361755537 /nfs/dbraw/zinc/75/55/37/361755537.db2.gz WMCGKCCDZXQUPN-CBAPKCEASA-N 0 0 231.122 3.622 10 0 BHAERN O[C@@H]1CC[C@@H](c2cc(Cl)ccc2Cl)C1 ZINC000070771604 361755264 /nfs/dbraw/zinc/75/52/64/361755264.db2.gz WMCGKCCDZXQUPN-VXNVDRBHSA-N 0 0 231.122 3.622 10 0 BHAERN O[C@@H]1CC[C@H](c2cc(Cl)ccc2Cl)C1 ZINC000070771609 361755403 /nfs/dbraw/zinc/75/54/03/361755403.db2.gz WMCGKCCDZXQUPN-IONNQARKSA-N 0 0 231.122 3.622 10 0 BHAERN CC[C@@H](C)Sc1nnc(Cl)c(C)c1C ZINC000070821076 361772674 /nfs/dbraw/zinc/77/26/74/361772674.db2.gz CBOXHQOPESTASS-ZCFIWIBFSA-N 0 0 230.764 3.637 10 0 BHAERN CC[C@H](C)Sc1nnc(Cl)c(C)c1C ZINC000070821078 361773215 /nfs/dbraw/zinc/77/32/15/361773215.db2.gz CBOXHQOPESTASS-LURJTMIESA-N 0 0 230.764 3.637 10 0 BHAERN Cc1c(Cl)nnc(SC(C)(C)C)c1C ZINC000070821083 361772698 /nfs/dbraw/zinc/77/26/98/361772698.db2.gz BXCNURBYSDUXCQ-UHFFFAOYSA-N 0 0 230.764 3.637 10 0 BHAERN Cc1c(Cl)nnc(SC2CCCC2)c1C ZINC000070821133 361769328 /nfs/dbraw/zinc/76/93/28/361769328.db2.gz WILFMSNRUZYWKP-UHFFFAOYSA-N 0 0 242.775 3.782 10 0 BHAERN CC(=O)c1csc(C2CCC(C)CC2)n1 ZINC000070848248 374204746 /nfs/dbraw/zinc/20/47/46/374204746.db2.gz URFUEBHBKRXUMX-UHFFFAOYSA-N 0 0 223.341 3.639 10 0 BHAERN CC(=O)c1csc([C@H]2CCC[C@@H](C)C2)n1 ZINC000070848454 374204893 /nfs/dbraw/zinc/20/48/93/374204893.db2.gz GZTNFZCBUKHTDH-SCZZXKLOSA-N 0 0 223.341 3.639 10 0 BHAERN CC(=O)c1csc([C@H]2CCC[C@H](C)C2)n1 ZINC000070848463 374204397 /nfs/dbraw/zinc/20/43/97/374204397.db2.gz GZTNFZCBUKHTDH-WPRPVWTQSA-N 0 0 223.341 3.639 10 0 BHAERN CC(=O)c1csc([C@@H]2CCC[C@@H](C)C2)n1 ZINC000070848469 374204629 /nfs/dbraw/zinc/20/46/29/374204629.db2.gz GZTNFZCBUKHTDH-PSASIEDQSA-N 0 0 223.341 3.639 10 0 BHAERN CC(=O)c1csc([C@@H]2CCC[C@H](C)C2)n1 ZINC000070848479 374205215 /nfs/dbraw/zinc/20/52/15/374205215.db2.gz GZTNFZCBUKHTDH-WCBMZHEXSA-N 0 0 223.341 3.639 10 0 BHAERN CC(=O)c1csc(-c2ccccc2Cl)n1 ZINC000070848598 188130268 /nfs/dbraw/zinc/13/02/68/188130268.db2.gz LITAAJOHDFMQDD-UHFFFAOYSA-N 0 0 237.711 3.666 10 0 BHAERN CC(=O)c1csc(-c2cc(C)sc2C)n1 ZINC000070848803 374204676 /nfs/dbraw/zinc/20/46/76/374204676.db2.gz HIXWQTLFRBKMMM-UHFFFAOYSA-N 0 0 237.349 3.691 10 0 BHAERN O=C(CCC(F)(F)F)c1ccc(Cl)cc1 ZINC000070914988 350073841 /nfs/dbraw/zinc/07/38/41/350073841.db2.gz PKSKSXRPEWGDBC-UHFFFAOYSA-N 0 0 236.620 3.865 10 0 BHAERN O=C(CCC(F)(F)F)c1cccc(Cl)c1 ZINC000070914999 350073793 /nfs/dbraw/zinc/07/37/93/350073793.db2.gz BPWZPEUSXUJMGL-UHFFFAOYSA-N 0 0 236.620 3.865 10 0 BHAERN O=C(CCC(F)(F)F)c1ccccc1Cl ZINC000070915178 350074089 /nfs/dbraw/zinc/07/40/89/350074089.db2.gz ULOBBEHMEXWEQR-UHFFFAOYSA-N 0 0 236.620 3.865 10 0 BHAERN Cc1ccc2oc(C(=O)C(C)(C)C)cc2c1 ZINC000070954965 537940685 /nfs/dbraw/zinc/94/06/85/537940685.db2.gz XDOCGZANRCTGJV-UHFFFAOYSA-N 0 0 216.280 3.970 10 0 BHAERN Cc1ccc2oc(C(=O)C(C)C)cc2c1 ZINC000070954971 374235439 /nfs/dbraw/zinc/23/54/39/374235439.db2.gz DCFIQBKDPDQPFR-UHFFFAOYSA-N 0 0 202.253 3.580 10 0 BHAERN Cc1ccncc1NC1CCCCCC1 ZINC000070957630 384143546 /nfs/dbraw/zinc/14/35/46/384143546.db2.gz WHYSDJYGMVMDCQ-UHFFFAOYSA-N 0 0 204.317 3.525 10 0 BHAERN Cc1ccncc1N[C@@H](C)c1cccs1 ZINC000070958075 384143043 /nfs/dbraw/zinc/14/30/43/384143043.db2.gz LEQVFNUIBUWZJM-JTQLQIEISA-N 0 0 218.325 3.625 10 0 BHAERN Cc1ccncc1N[C@H](C)c1cccs1 ZINC000070958079 384142828 /nfs/dbraw/zinc/14/28/28/384142828.db2.gz LEQVFNUIBUWZJM-SNVBAGLBSA-N 0 0 218.325 3.625 10 0 BHAERN Cc1ccncc1N[C@@H](C)CCC(C)C ZINC000070958178 384144256 /nfs/dbraw/zinc/14/42/56/384144256.db2.gz YIEOIQZVNJAEJE-LBPRGKRZSA-N 0 0 206.333 3.627 10 0 BHAERN Cc1ccncc1N[C@H](C)CCC(C)C ZINC000070958183 384143466 /nfs/dbraw/zinc/14/34/66/384143466.db2.gz YIEOIQZVNJAEJE-GFCCVEGCSA-N 0 0 206.333 3.627 10 0 BHAERN Cc1ccc(NC2CCC2)cc1Br ZINC000070993831 384144821 /nfs/dbraw/zinc/14/48/21/384144821.db2.gz NURWYLCVYHKZCS-UHFFFAOYSA-N 0 0 240.144 3.722 10 0 BHAERN CC(C)c1nc(Cl)c2c(n1)CCCCC2 ZINC000071002677 374240196 /nfs/dbraw/zinc/24/01/96/374240196.db2.gz NTFDZCBBVLWJHG-UHFFFAOYSA-N 0 0 224.735 3.522 10 0 BHAERN Clc1cc(C2CC2)nc(-c2cccs2)n1 ZINC000071003809 388442581 /nfs/dbraw/zinc/44/25/81/388442581.db2.gz YJVYVDCZZCCNFP-UHFFFAOYSA-N 0 0 236.727 3.736 10 0 BHAERN Clc1cc(C2CC2)nc(-c2ccsc2)n1 ZINC000071003843 374240287 /nfs/dbraw/zinc/24/02/87/374240287.db2.gz XFGLZFIXKCFPDX-UHFFFAOYSA-N 0 0 236.727 3.736 10 0 BHAERN Clc1cc(C2CC2)nc2ccccc12 ZINC000071008740 350081444 /nfs/dbraw/zinc/08/14/44/350081444.db2.gz RDZHHXHHLFIHLH-UHFFFAOYSA-N 0 0 203.672 3.766 10 0 BHAERN Fc1cccc2c(Cl)cc(C3CC3)nc12 ZINC000071008775 374240352 /nfs/dbraw/zinc/24/03/52/374240352.db2.gz NGNYUIUMXZEIDM-UHFFFAOYSA-N 0 0 221.662 3.905 10 0 BHAERN Fc1ccc2nc(C3CC3)cc(Cl)c2c1 ZINC000071008823 343958894 /nfs/dbraw/zinc/95/88/94/343958894.db2.gz HHUOPBRDJPWIFC-UHFFFAOYSA-N 0 0 221.662 3.905 10 0 BHAERN Fc1cccc(Cl)c1-c1nnc(Cl)s1 ZINC000071050252 361940101 /nfs/dbraw/zinc/94/01/01/361940101.db2.gz HBSJZGQIAXEJBS-UHFFFAOYSA-N 0 0 249.097 3.651 10 0 BHAERN Clc1nnc(-c2cccc(Cl)c2)s1 ZINC000071050318 361940584 /nfs/dbraw/zinc/94/05/84/361940584.db2.gz IFMALWNMOSOVQO-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN Fc1ccc(-c2nnc(Cl)s2)c(Cl)c1 ZINC000071050374 361940091 /nfs/dbraw/zinc/94/00/91/361940091.db2.gz UIRBDCWVGBRUNQ-UHFFFAOYSA-N 0 0 249.097 3.651 10 0 BHAERN Fc1cc(Cl)ccc1-c1nnc(Cl)s1 ZINC000071050460 361940276 /nfs/dbraw/zinc/94/02/76/361940276.db2.gz MCUDSSMSABEBIS-UHFFFAOYSA-N 0 0 249.097 3.651 10 0 BHAERN CC(C)c1ccc(-c2nnc(Cl)s2)cc1 ZINC000071050476 343959367 /nfs/dbraw/zinc/95/93/67/343959367.db2.gz UNCIIYKLDDOYDL-UHFFFAOYSA-N 0 0 238.743 3.982 10 0 BHAERN CC[C@H](c1nnc(Cl)s1)c1ccccc1 ZINC000071050595 343959232 /nfs/dbraw/zinc/95/92/32/343959232.db2.gz BTYBNJYFYLMNIO-VIFPVBQESA-N 0 0 238.743 3.733 10 0 BHAERN CC[C@@H](c1nnc(Cl)s1)c1ccccc1 ZINC000071050597 361940384 /nfs/dbraw/zinc/94/03/84/361940384.db2.gz BTYBNJYFYLMNIO-SECBINFHSA-N 0 0 238.743 3.733 10 0 BHAERN CC(C)(c1nnc(Cl)s1)c1ccccc1 ZINC000071050794 361940525 /nfs/dbraw/zinc/94/05/25/361940525.db2.gz UNYYGOZWWFHPSS-UHFFFAOYSA-N 0 0 238.743 3.517 10 0 BHAERN Clc1ccc(-c2nnc(Cl)s2)s1 ZINC000071050877 361941222 /nfs/dbraw/zinc/94/12/22/361941222.db2.gz DAIUZCMOOVDNLZ-UHFFFAOYSA-N 0 0 237.136 3.573 10 0 BHAERN Clc1nnc(C2CCCCCC2)s1 ZINC000071050917 361941378 /nfs/dbraw/zinc/94/13/78/361941378.db2.gz HRTHNFBYDMCLMA-UHFFFAOYSA-N 0 0 216.737 3.629 10 0 BHAERN Cc1ccc(-c2nnc(Cl)s2)cc1Cl ZINC000071051050 361941274 /nfs/dbraw/zinc/94/12/74/361941274.db2.gz RNEZTZKSSKKODX-UHFFFAOYSA-N 0 0 245.134 3.820 10 0 BHAERN Cc1nnc(Cl)n1C1CCCCCCC1 ZINC000071052759 361936614 /nfs/dbraw/zinc/93/66/14/361936614.db2.gz HCTQBQSKLQGZEB-UHFFFAOYSA-N 0 0 227.739 3.525 10 0 BHAERN CC(C)c1nnc(Cl)n1C1CCCCC1 ZINC000071053213 361937259 /nfs/dbraw/zinc/93/72/59/361937259.db2.gz ZJWKWGBDAMINTR-UHFFFAOYSA-N 0 0 227.739 3.560 10 0 BHAERN CC(C)c1ccc([C@@H](C)NCc2ccno2)cc1 ZINC000071089182 384151745 /nfs/dbraw/zinc/15/17/45/384151745.db2.gz OTRXBZKAORCXQD-GFCCVEGCSA-N 0 0 244.338 3.649 10 0 BHAERN CC(C)c1ccc([C@H](C)NCc2ccno2)cc1 ZINC000071089183 384150857 /nfs/dbraw/zinc/15/08/57/384150857.db2.gz OTRXBZKAORCXQD-LBPRGKRZSA-N 0 0 244.338 3.649 10 0 BHAERN CCc1ccc(-c2csc(C(C)=O)n2)s1 ZINC000071137027 361960419 /nfs/dbraw/zinc/96/04/19/361960419.db2.gz AWJDRLCUWSAUOR-UHFFFAOYSA-N 0 0 237.349 3.637 10 0 BHAERN CCCC[C@@H](CC)COc1ccc(O)cc1 ZINC000071137669 361960830 /nfs/dbraw/zinc/96/08/30/361960830.db2.gz ICYTWTCDUIQTJS-GFCCVEGCSA-N 0 0 222.328 3.987 10 0 BHAERN CCCC[C@H](CC)COc1ccc(O)cc1 ZINC000071137670 361960218 /nfs/dbraw/zinc/96/02/18/361960218.db2.gz ICYTWTCDUIQTJS-LBPRGKRZSA-N 0 0 222.328 3.987 10 0 BHAERN Clc1nsnc1NCCC1CCCCC1 ZINC000071137680 361960918 /nfs/dbraw/zinc/96/09/18/361960918.db2.gz WLTKXWYSZVUJQU-UHFFFAOYSA-N 0 0 245.779 3.574 10 0 BHAERN CCC1CCC(Nc2nsnc2Cl)CC1 ZINC000071137691 361960480 /nfs/dbraw/zinc/96/04/80/361960480.db2.gz ADILWGGXGAFOJF-UHFFFAOYSA-N 0 0 245.779 3.572 10 0 BHAERN CCNc1nc(C)c(-c2ccc(OC)cc2)s1 ZINC000071169034 170175968 /nfs/dbraw/zinc/17/59/68/170175968.db2.gz HUWZKZSEXGBWMU-UHFFFAOYSA-N 0 0 248.351 3.559 10 0 BHAERN CC(C)(C)c1ccccc1Nc1ncccc1N ZINC000071174147 350090316 /nfs/dbraw/zinc/09/03/16/350090316.db2.gz YSDZMZIAYMXEAY-UHFFFAOYSA-N 0 0 241.338 3.705 10 0 BHAERN C[C@@H]1CCC[C@@H]1Nc1ccc(N)cc1Cl ZINC000071206806 176133266 /nfs/dbraw/zinc/13/32/66/176133266.db2.gz IEAHQTQTYJSGOE-KCJUWKMLSA-N 0 0 224.735 3.523 10 0 BHAERN C[C@H]1CCC[C@@H]1Nc1ccc(N)cc1Cl ZINC000071206807 177126607 /nfs/dbraw/zinc/12/66/07/177126607.db2.gz IEAHQTQTYJSGOE-KWQFWETISA-N 0 0 224.735 3.523 10 0 BHAERN C[C@@H]1CCC[C@H]1Nc1ccc(N)cc1Cl ZINC000071206808 176151537 /nfs/dbraw/zinc/15/15/37/176151537.db2.gz IEAHQTQTYJSGOE-LDYMZIIASA-N 0 0 224.735 3.523 10 0 BHAERN C[C@H]1CCC[C@H]1Nc1ccc(N)cc1Cl ZINC000071206809 177142476 /nfs/dbraw/zinc/14/24/76/177142476.db2.gz IEAHQTQTYJSGOE-GZMMTYOYSA-N 0 0 224.735 3.523 10 0 BHAERN CC1(C)c2ccccc2Cc2ccccc21 ZINC000071251197 384153757 /nfs/dbraw/zinc/15/37/57/384153757.db2.gz JZWGDEVGYRDRPM-UHFFFAOYSA-N 0 0 208.304 3.917 10 0 BHAERN Cc1cc(N)ccc1N[C@@H](C)Cc1cccs1 ZINC000071270047 178107177 /nfs/dbraw/zinc/10/71/77/178107177.db2.gz DZABGTOZPPFDFN-NSHDSACASA-N 0 0 246.379 3.682 10 0 BHAERN Cc1cc(N)ccc1N[C@H](C)Cc1cccs1 ZINC000071270049 178106475 /nfs/dbraw/zinc/10/64/75/178106475.db2.gz DZABGTOZPPFDFN-LLVKDONJSA-N 0 0 246.379 3.682 10 0 BHAERN CC(C)CC(=O)c1cc(Br)cs1 ZINC000071303152 384161626 /nfs/dbraw/zinc/16/16/26/384161626.db2.gz CVCYITAAUYMXEZ-UHFFFAOYSA-N 0 0 247.157 3.739 10 0 BHAERN CCc1c(Cl)nc(C(C)(C)C)nc1Cl ZINC000071373517 398148116 /nfs/dbraw/zinc/14/81/16/398148116.db2.gz KFLXEXXSYYRNGQ-UHFFFAOYSA-N 0 0 233.142 3.643 10 0 BHAERN Cc1ccncc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000071413227 359079526 /nfs/dbraw/zinc/07/95/26/359079526.db2.gz JOHJAQCXVPGGGV-WCQYABFASA-N 0 0 242.322 3.719 10 0 BHAERN Cc1ccncc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000071413228 359079552 /nfs/dbraw/zinc/07/95/52/359079552.db2.gz JOHJAQCXVPGGGV-AAEUAGOBSA-N 0 0 242.322 3.719 10 0 BHAERN Cc1ccncc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000071413229 359079379 /nfs/dbraw/zinc/07/93/79/359079379.db2.gz JOHJAQCXVPGGGV-DGCLKSJQSA-N 0 0 242.322 3.719 10 0 BHAERN Cc1ccncc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000071413230 359079086 /nfs/dbraw/zinc/07/90/86/359079086.db2.gz JOHJAQCXVPGGGV-YPMHNXCESA-N 0 0 242.322 3.719 10 0 BHAERN COc1ccc([C@H](C)Nc2cnccc2C)cc1 ZINC000071413400 175190346 /nfs/dbraw/zinc/19/03/46/175190346.db2.gz KTTSKFGVQVDSJX-LBPRGKRZSA-N 0 0 242.322 3.572 10 0 BHAERN COc1ccc([C@@H](C)Nc2cnccc2C)cc1 ZINC000071413401 175177829 /nfs/dbraw/zinc/17/78/29/175177829.db2.gz KTTSKFGVQVDSJX-GFCCVEGCSA-N 0 0 242.322 3.572 10 0 BHAERN Cc1ccncc1NC[C@@H](C)c1ccccc1 ZINC000071413557 397975528 /nfs/dbraw/zinc/97/55/28/397975528.db2.gz UQRKMOOVBMSUSA-CYBMUJFWSA-N 0 0 226.323 3.606 10 0 BHAERN Cc1ccncc1NC[C@H](C)c1ccccc1 ZINC000071413558 397975535 /nfs/dbraw/zinc/97/55/35/397975535.db2.gz UQRKMOOVBMSUSA-ZDUSSCGKSA-N 0 0 226.323 3.606 10 0 BHAERN Cc1cc([C@H](C)Nc2cnccc2C)c(C)o1 ZINC000071413611 178259712 /nfs/dbraw/zinc/25/97/12/178259712.db2.gz HDUKJZOZDWHDQK-NSHDSACASA-N 0 0 230.311 3.773 10 0 BHAERN Cc1cc([C@@H](C)Nc2cnccc2C)c(C)o1 ZINC000071413612 178233920 /nfs/dbraw/zinc/23/39/20/178233920.db2.gz HDUKJZOZDWHDQK-LLVKDONJSA-N 0 0 230.311 3.773 10 0 BHAERN Cc1ccncc1NC1CC(c2ccccc2)C1 ZINC000071413673 325073974 /nfs/dbraw/zinc/07/39/74/325073974.db2.gz XLSYRASWIOEJFQ-UHFFFAOYSA-N 0 0 238.334 3.748 10 0 BHAERN Cc1ccc(C)c(CNc2cnccc2C)c1 ZINC000071413919 387123630 /nfs/dbraw/zinc/12/36/30/387123630.db2.gz KCEZLFYYYFPLJR-UHFFFAOYSA-N 0 0 226.323 3.619 10 0 BHAERN Cc1ccncc1NCC[C@@H](C)c1ccccc1 ZINC000071413920 388891112 /nfs/dbraw/zinc/89/11/12/388891112.db2.gz XLOFRQKUTRIVLN-CYBMUJFWSA-N 0 0 240.350 3.996 10 0 BHAERN Cc1ccncc1NCC[C@H](C)c1ccccc1 ZINC000071413921 388891093 /nfs/dbraw/zinc/89/10/93/388891093.db2.gz XLOFRQKUTRIVLN-ZDUSSCGKSA-N 0 0 240.350 3.996 10 0 BHAERN CC(C)(Br)Cc1ccc(F)c(F)c1 ZINC000071424314 188305796 /nfs/dbraw/zinc/30/57/96/188305796.db2.gz YGCPTNJCYFVALU-UHFFFAOYSA-N 0 0 249.098 3.681 10 0 BHAERN CCCC(=O)c1cc(C(F)(F)F)ccc1OC ZINC000071445311 388093206 /nfs/dbraw/zinc/09/32/06/388093206.db2.gz ABMOSLSSHJHXMG-UHFFFAOYSA-N 0 0 246.228 3.697 10 0 BHAERN CCOc1ccc(C(F)(F)F)cc1C(=O)CC ZINC000071445359 170539660 /nfs/dbraw/zinc/53/96/60/170539660.db2.gz BUXFNWBPFHFZAR-UHFFFAOYSA-N 0 0 246.228 3.697 10 0 BHAERN Nc1cccc(C(=O)c2cccc3ccccc32)c1 ZINC000071445635 387105606 /nfs/dbraw/zinc/10/56/06/387105606.db2.gz SBNUVIXHJCIONN-UHFFFAOYSA-N 0 0 247.297 3.653 10 0 BHAERN Cc1ccc2ccccc2c1C(=O)C1CC1 ZINC000071445846 178971417 /nfs/dbraw/zinc/97/14/17/178971417.db2.gz AFVWNQGTOZFVSM-UHFFFAOYSA-N 0 0 210.276 3.741 10 0 BHAERN CC[C@H](O)c1c(C)ccc2ccccc21 ZINC000071445849 171580499 /nfs/dbraw/zinc/58/04/99/171580499.db2.gz DJNKZKGBFTZVAO-ZDUSSCGKSA-N 0 0 200.281 3.592 10 0 BHAERN CCCOc1ccc([C@@H](C)O)cc1C(C)C ZINC000071452665 169320622 /nfs/dbraw/zinc/32/06/22/169320622.db2.gz YIAUPZDDXIRZQD-LLVKDONJSA-N 0 0 222.328 3.652 10 0 BHAERN CCCOc1ccc([C@H](C)O)cc1C(C)C ZINC000071452666 169322408 /nfs/dbraw/zinc/32/24/08/169322408.db2.gz YIAUPZDDXIRZQD-NSHDSACASA-N 0 0 222.328 3.652 10 0 BHAERN CCCSc1ccc(Cl)cc1O ZINC000071453668 169341479 /nfs/dbraw/zinc/34/14/79/169341479.db2.gz DOSJLBKCAVBTIU-UHFFFAOYSA-N 0 0 202.706 3.548 10 0 BHAERN CCCSc1ccc(Cl)cc1NC ZINC000071453675 169341558 /nfs/dbraw/zinc/34/15/58/169341558.db2.gz AJWDIZNDEHHSBF-UHFFFAOYSA-N 0 0 215.749 3.884 10 0 BHAERN CCNc1ccc(Cl)c2ccccc12 ZINC000071453838 170173911 /nfs/dbraw/zinc/17/39/11/170173911.db2.gz QSEZJVGZKRXRIY-UHFFFAOYSA-N 0 0 205.688 3.925 10 0 BHAERN CC(C)Sc1ccc(Cl)cc1O ZINC000071454157 167337296 /nfs/dbraw/zinc/33/72/96/167337296.db2.gz FEJQYOZUOGEXPU-UHFFFAOYSA-N 0 0 202.706 3.546 10 0 BHAERN CC(C)Sc1ccc(Cl)cc1[C@@H](C)O ZINC000071454174 167336567 /nfs/dbraw/zinc/33/65/67/167336567.db2.gz SLGWUYQTCDEPDA-MRVPVSSYSA-N 0 0 230.760 3.894 10 0 BHAERN CC(C)Sc1ccc(Cl)cc1[C@H](C)O ZINC000071454175 167337750 /nfs/dbraw/zinc/33/77/50/167337750.db2.gz SLGWUYQTCDEPDA-QMMMGPOBSA-N 0 0 230.760 3.894 10 0 BHAERN CCC(=O)c1cc(Cl)ccc1SC ZINC000071454244 168255321 /nfs/dbraw/zinc/25/53/21/168255321.db2.gz TZSSMETUDOFHGN-UHFFFAOYSA-N 0 0 214.717 3.655 10 0 BHAERN CC[C@H](O)c1cc(Cl)ccc1SC ZINC000071454268 171580883 /nfs/dbraw/zinc/58/08/83/171580883.db2.gz MNEFXNORDIYVHZ-VIFPVBQESA-N 0 0 216.733 3.505 10 0 BHAERN CCNc1cc(C)ccc1SC(C)C ZINC000071454518 170171858 /nfs/dbraw/zinc/17/18/58/170171858.db2.gz XYASZCZRKCHMOR-UHFFFAOYSA-N 0 0 209.358 3.927 10 0 BHAERN CCNc1cc(Cl)cc(C(C)C)c1O ZINC000071455802 170172458 /nfs/dbraw/zinc/17/24/58/170172458.db2.gz JUPZVYDVRQRGDW-UHFFFAOYSA-N 0 0 213.708 3.601 10 0 BHAERN CC[C@H](O)c1ccc(Cc2ccccc2)cc1 ZINC000071456234 385913690 /nfs/dbraw/zinc/91/36/90/385913690.db2.gz LMQMFTWKTYSZGP-INIZCTEOSA-N 0 0 226.319 3.721 10 0 BHAERN CC[C@@H](O)c1ccc(Cc2ccccc2)cc1 ZINC000071456235 350107900 /nfs/dbraw/zinc/10/79/00/350107900.db2.gz LMQMFTWKTYSZGP-MRXNPFEDSA-N 0 0 226.319 3.721 10 0 BHAERN CCC(=O)c1cc(Cl)cc(Cl)c1OC ZINC000071462883 168254908 /nfs/dbraw/zinc/25/49/08/168254908.db2.gz ROULAOUWMRBRFD-UHFFFAOYSA-N 0 0 233.094 3.595 10 0 BHAERN CCNc1cc(Cl)cc(Cl)c1OCC ZINC000071462936 170172010 /nfs/dbraw/zinc/17/20/10/170172010.db2.gz DBZQBHOOUCUYHD-UHFFFAOYSA-N 0 0 234.126 3.824 10 0 BHAERN CCCOc1c(Cl)cc(Cl)cc1NC ZINC000071463017 169313901 /nfs/dbraw/zinc/31/39/01/169313901.db2.gz ALMFYJRAJXGDBO-UHFFFAOYSA-N 0 0 234.126 3.824 10 0 BHAERN C[C@H](O)c1c(Cl)[nH]c2ccc(Cl)cc21 ZINC000071465309 177015985 /nfs/dbraw/zinc/01/59/85/177015985.db2.gz MIMOMLNTJKNEFZ-YFKPBYRVSA-N 0 0 230.094 3.528 10 0 BHAERN C[C@H](O)c1c(Cl)[nH]c2c1cccc2Cl ZINC000071466000 177016117 /nfs/dbraw/zinc/01/61/17/177016117.db2.gz AKPWDYDTXIQUNU-YFKPBYRVSA-N 0 0 230.094 3.528 10 0 BHAERN CC(=O)c1c(Cl)[nH]c2c1cccc2Cl ZINC000071466002 166434104 /nfs/dbraw/zinc/43/41/04/166434104.db2.gz JRDWINSCFGREDE-UHFFFAOYSA-N 0 0 228.078 3.677 10 0 BHAERN C[C@H](O)c1c(Cl)[nH]c2cc(Cl)ccc21 ZINC000071466421 177015669 /nfs/dbraw/zinc/01/56/69/177015669.db2.gz AOAUOIUGOQAQMJ-YFKPBYRVSA-N 0 0 230.094 3.528 10 0 BHAERN CC(C)c1cc2ccccn2c1Br ZINC000071477152 167579116 /nfs/dbraw/zinc/57/91/16/167579116.db2.gz VJCBDUDMHVZXPX-UHFFFAOYSA-N 0 0 238.128 3.825 10 0 BHAERN CC(C)(C)c1ccc2cccc(O)c2c1 ZINC000071477570 188287302 /nfs/dbraw/zinc/28/73/02/188287302.db2.gz IYYHQNWGPHANLU-UHFFFAOYSA-N 0 0 200.281 3.843 10 0 BHAERN Cc1cccc2c(O)c(Br)ccc12 ZINC000071477581 179211880 /nfs/dbraw/zinc/21/18/80/179211880.db2.gz YVCKLHPGFHXQMI-UHFFFAOYSA-N 0 0 237.096 3.616 10 0 BHAERN Cc1ccc2ccc(Br)c(O)c2c1 ZINC000071477591 643148340 /nfs/dbraw/zinc/14/83/40/643148340.db2.gz GRXBYYZUAQTLMH-UHFFFAOYSA-N 0 0 237.096 3.616 10 0 BHAERN COc1cc2ccnc(Cl)c2cc1Cl ZINC000071482462 175027405 /nfs/dbraw/zinc/02/74/05/175027405.db2.gz GFXSTTQNVOLESP-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN CCc1ccc2c(ccnc2Br)c1 ZINC000071482502 188305462 /nfs/dbraw/zinc/30/54/62/188305462.db2.gz UHZIAXHTUMKOFW-UHFFFAOYSA-N 0 0 236.112 3.560 10 0 BHAERN Cc1cc2ccnc(Br)c2cc1C ZINC000071482521 178298961 /nfs/dbraw/zinc/29/89/61/178298961.db2.gz KKIPZADRYPKTHS-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Clc1ccc2c(c1)[C@@H]1CCCC[C@H]1N2 ZINC000071484267 180587987 /nfs/dbraw/zinc/58/79/87/180587987.db2.gz AKHRDZSDAQFDQL-GXSJLCMTSA-N 0 0 207.704 3.792 10 0 BHAERN Clc1ccc2c(c1)[C@H]1CCCC[C@H]1N2 ZINC000071484268 180587781 /nfs/dbraw/zinc/58/77/81/180587781.db2.gz AKHRDZSDAQFDQL-MWLCHTKSSA-N 0 0 207.704 3.792 10 0 BHAERN Clc1cccc2c1N[C@H]1CCCC[C@H]21 ZINC000071484347 180592550 /nfs/dbraw/zinc/59/25/50/180592550.db2.gz GJCFPYWVSFJNKM-KCJUWKMLSA-N 0 0 207.704 3.792 10 0 BHAERN Clc1cccc2c1N[C@@H]1CCCC[C@H]21 ZINC000071484349 180593141 /nfs/dbraw/zinc/59/31/41/180593141.db2.gz GJCFPYWVSFJNKM-LDYMZIIASA-N 0 0 207.704 3.792 10 0 BHAERN CC(C)(C)c1ccc2c(c1)C(C)(C)CN2 ZINC000071484946 188113816 /nfs/dbraw/zinc/11/38/16/188113816.db2.gz UFILSWRPNRMMPN-UHFFFAOYSA-N 0 0 203.329 3.687 10 0 BHAERN Clc1ccc2c(c1)C1(CCCC1)CN2 ZINC000071484981 387152509 /nfs/dbraw/zinc/15/25/09/387152509.db2.gz WREHHKXVAFXDPH-UHFFFAOYSA-N 0 0 207.704 3.577 10 0 BHAERN CC(C)[C@@H]1CNc2ccc(Br)cc21 ZINC000071486478 387151611 /nfs/dbraw/zinc/15/16/11/387151611.db2.gz UQSGAEGUHQIJFU-JTQLQIEISA-N 0 0 240.144 3.614 10 0 BHAERN CC(C)[C@H]1CNc2ccc(Br)cc21 ZINC000071486480 387151508 /nfs/dbraw/zinc/15/15/08/387151508.db2.gz UQSGAEGUHQIJFU-SNVBAGLBSA-N 0 0 240.144 3.614 10 0 BHAERN CC(=O)c1c[nH]c2ccc(C(C)(C)C)cc12 ZINC000071487600 384924630 /nfs/dbraw/zinc/92/46/30/384924630.db2.gz LNIUUTGMXMKOFU-UHFFFAOYSA-N 0 0 215.296 3.668 10 0 BHAERN CC(C)C(=O)c1c[nH]c2ccc(Cl)cc12 ZINC000071487623 388095464 /nfs/dbraw/zinc/09/54/64/388095464.db2.gz LQDNISCMAFAZEQ-UHFFFAOYSA-N 0 0 221.687 3.660 10 0 BHAERN CC(C)C(=O)c1c[nH]c2c1cccc2Cl ZINC000071487636 388095335 /nfs/dbraw/zinc/09/53/35/388095335.db2.gz AWLFXQSRUGWNIF-UHFFFAOYSA-N 0 0 221.687 3.660 10 0 BHAERN Cc1ccc2[nH]cc(C(=O)C3CCCC3)c2c1 ZINC000071487639 178936603 /nfs/dbraw/zinc/93/66/03/178936603.db2.gz CVBWMHQNOHELTR-UHFFFAOYSA-N 0 0 227.307 3.849 10 0 BHAERN COc1cccc2[nH]cc(C(=O)C3CCCC3)c21 ZINC000071487652 175297388 /nfs/dbraw/zinc/29/73/88/175297388.db2.gz ILJNSJQBACLDRQ-UHFFFAOYSA-N 0 0 243.306 3.549 10 0 BHAERN Cc1ccc2ccc(Br)cc2c1O ZINC000071489882 178970108 /nfs/dbraw/zinc/97/01/08/178970108.db2.gz YZFIKXYIJAYCAS-UHFFFAOYSA-N 0 0 237.096 3.616 10 0 BHAERN Cc1[nH]c2cc(Cl)ccc2c1Br ZINC000071494949 177511109 /nfs/dbraw/zinc/51/11/09/177511109.db2.gz AYJYOQWCOGUQNH-UHFFFAOYSA-N 0 0 244.519 3.892 10 0 BHAERN Cc1[nH]c2c(cccc2C)c1Br ZINC000071494952 177510041 /nfs/dbraw/zinc/51/00/41/177510041.db2.gz WTYSXEIJZLCUHV-UHFFFAOYSA-N 0 0 224.101 3.547 10 0 BHAERN Cc1c(Br)c2cccc(C)c2n1C ZINC000071494969 179208578 /nfs/dbraw/zinc/20/85/78/179208578.db2.gz LWIJBOZPEYJZSB-UHFFFAOYSA-N 0 0 238.128 3.558 10 0 BHAERN CC(C)c1ccc(C(=O)C2(C)CC2)cc1 ZINC000071508464 343964366 /nfs/dbraw/zinc/96/43/66/343964366.db2.gz QWGWURKNZJEUAM-UHFFFAOYSA-N 0 0 202.297 3.793 10 0 BHAERN Cc1cc(C)c(C(=O)C2(C)CC2)c(C)c1 ZINC000071508473 177839283 /nfs/dbraw/zinc/83/92/83/177839283.db2.gz QNWPUPAARNGJAW-UHFFFAOYSA-N 0 0 202.297 3.595 10 0 BHAERN Cc1cc(C)c(C(=O)C2CCC2)cc1C ZINC000071508475 177840009 /nfs/dbraw/zinc/84/00/09/177840009.db2.gz MKWREFQADUFQQU-UHFFFAOYSA-N 0 0 202.297 3.595 10 0 BHAERN Cc1cc(C)c(C(=O)C2(C)CC2)cc1C ZINC000071508476 177839941 /nfs/dbraw/zinc/83/99/41/177839941.db2.gz MPRTZFMRPMHUTG-UHFFFAOYSA-N 0 0 202.297 3.595 10 0 BHAERN Cc1cc(C(=O)CC(C)(C)C)ccc1F ZINC000071511125 362005553 /nfs/dbraw/zinc/00/55/53/362005553.db2.gz RJYCDMGRRTXEHJ-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN Cc1ccc(C)c(-c2cc(C)cc(N)c2)c1 ZINC000071518291 178104765 /nfs/dbraw/zinc/10/47/65/178104765.db2.gz ANGHSOCLXRCEEE-UHFFFAOYSA-N 0 0 211.308 3.861 10 0 BHAERN Cc1cc(C)c(C(=O)C2CCCC2)cc1C ZINC000071519814 177839582 /nfs/dbraw/zinc/83/95/82/177839582.db2.gz UFQDMZYPDWQNOG-UHFFFAOYSA-N 0 0 216.324 3.985 10 0 BHAERN CCC(=O)c1ccc(NC2CCCC2)cc1 ZINC000071520192 168255760 /nfs/dbraw/zinc/25/57/60/168255760.db2.gz WKXDZZKXHLFMQH-UHFFFAOYSA-N 0 0 217.312 3.634 10 0 BHAERN Cc1cc(N)cc(-c2ccc(F)c(F)c2)c1 ZINC000071521142 643152681 /nfs/dbraw/zinc/15/26/81/643152681.db2.gz CMNALDDQXDGQQD-UHFFFAOYSA-N 0 0 219.234 3.522 10 0 BHAERN Cc1cc(N)cc(-c2cc(F)cc(F)c2)c1 ZINC000071521143 178104770 /nfs/dbraw/zinc/10/47/70/178104770.db2.gz LSGDYZZWUKVBMF-UHFFFAOYSA-N 0 0 219.234 3.522 10 0 BHAERN CCC(=O)c1ccc(NCCC(C)C)cc1 ZINC000071521997 168255798 /nfs/dbraw/zinc/25/57/98/168255798.db2.gz QBTWQDVVOWBWSU-UHFFFAOYSA-N 0 0 219.328 3.737 10 0 BHAERN CC(C)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000071522496 388097371 /nfs/dbraw/zinc/09/73/71/388097371.db2.gz GTQARVNDPBAWEL-UHFFFAOYSA-N 0 0 220.312 3.703 10 0 BHAERN CC(C)(C)Oc1ccc(C(=O)C2CCC2)cc1 ZINC000071536119 388098042 /nfs/dbraw/zinc/09/80/42/388098042.db2.gz HPMBWSYRWLYLDE-UHFFFAOYSA-N 0 0 232.323 3.847 10 0 BHAERN CC(C)Oc1ccc([C@@H]2CCCC(=O)C2)cc1 ZINC000071536145 167299052 /nfs/dbraw/zinc/29/90/52/167299052.db2.gz XUNUHUAAJPEUIX-CYBMUJFWSA-N 0 0 232.323 3.701 10 0 BHAERN CC(C)Oc1ccc([C@H]2CCCC(=O)C2)cc1 ZINC000071536146 167301262 /nfs/dbraw/zinc/30/12/62/167301262.db2.gz XUNUHUAAJPEUIX-ZDUSSCGKSA-N 0 0 232.323 3.701 10 0 BHAERN Cc1cc(Cl)ccc1Nc1ccccc1N ZINC000071536644 178068398 /nfs/dbraw/zinc/06/83/98/178068398.db2.gz QJPAJSCVKPGYGX-UHFFFAOYSA-N 0 0 232.714 3.974 10 0 BHAERN CCC(=O)c1cc(Cl)c(OC)cc1Cl ZINC000071536654 168254658 /nfs/dbraw/zinc/25/46/58/168254658.db2.gz ZGBPNEFIPSSCQV-UHFFFAOYSA-N 0 0 233.094 3.595 10 0 BHAERN COc1cc(C)c(C(=O)CC(C)(C)C)cc1C ZINC000071544401 388098394 /nfs/dbraw/zinc/09/83/94/388098394.db2.gz JJCVHMGIFABEHB-UHFFFAOYSA-N 0 0 234.339 3.931 10 0 BHAERN Nc1ncc(-c2ccc(-c3ccccc3)cc2)o1 ZINC000071547061 181795069 /nfs/dbraw/zinc/79/50/69/181795069.db2.gz HHHJHVFGBYINKG-UHFFFAOYSA-N 0 0 236.274 3.591 10 0 BHAERN CCC(=O)c1ccc(NCc2ccccc2)cc1 ZINC000071549552 168256246 /nfs/dbraw/zinc/25/62/46/168256246.db2.gz HPEOEXANZXEPEN-UHFFFAOYSA-N 0 0 239.318 3.891 10 0 BHAERN Cc1ccccc1-c1nc2ccc(N)cc2s1 ZINC000071550223 179237573 /nfs/dbraw/zinc/23/75/73/179237573.db2.gz HYXOGHXQHWJYKR-UHFFFAOYSA-N 0 0 240.331 3.854 10 0 BHAERN COc1ccc(Cl)cc1C(=O)CC(C)(C)C ZINC000071550309 343352169 /nfs/dbraw/zinc/35/21/69/343352169.db2.gz JGOKQMUETCAYIJ-UHFFFAOYSA-N 0 0 240.730 3.968 10 0 BHAERN O=C1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000071551305 384236090 /nfs/dbraw/zinc/23/60/90/384236090.db2.gz YPFNRLWIOMMCKO-SNVBAGLBSA-N 0 0 242.240 3.932 10 0 BHAERN O=C1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000071551306 388098275 /nfs/dbraw/zinc/09/82/75/388098275.db2.gz YPFNRLWIOMMCKO-JTQLQIEISA-N 0 0 242.240 3.932 10 0 BHAERN CC(=O)c1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000071551448 188306332 /nfs/dbraw/zinc/30/63/32/188306332.db2.gz NDYRMJRPCJPFNP-UHFFFAOYSA-N 0 0 242.322 3.813 10 0 BHAERN CC(=O)C1(Cc2ccc(Cl)cc2Cl)CC1 ZINC000071556873 374276678 /nfs/dbraw/zinc/27/66/78/374276678.db2.gz VIXGCCLJGLGBAS-UHFFFAOYSA-N 0 0 243.133 3.905 10 0 BHAERN COc1cc(Cl)c(C(=O)C2CC2)cc1Cl ZINC000071559519 174987788 /nfs/dbraw/zinc/98/77/88/174987788.db2.gz FLLOEMDTMCMGOX-UHFFFAOYSA-N 0 0 245.105 3.595 10 0 BHAERN COc1cc(Cl)c(C(=O)C(C)C)cc1Cl ZINC000071561431 388099006 /nfs/dbraw/zinc/09/90/06/388099006.db2.gz PXBAFLYYLQGMHZ-UHFFFAOYSA-N 0 0 247.121 3.841 10 0 BHAERN Cc1cccn2cc(-c3ccc(F)c(F)c3)nc12 ZINC000071570439 179353428 /nfs/dbraw/zinc/35/34/28/179353428.db2.gz RHKRNGGNDOMHFW-UHFFFAOYSA-N 0 0 244.244 3.588 10 0 BHAERN Cc1ccc(C)c(-c2cn3cc(C)ccc3n2)c1 ZINC000071570715 384172032 /nfs/dbraw/zinc/17/20/32/384172032.db2.gz CKMLPAHBTCSXLZ-UHFFFAOYSA-N 0 0 236.318 3.927 10 0 BHAERN COc1ccc2c(Cl)cc(Cl)nc2c1C ZINC000071602837 175204695 /nfs/dbraw/zinc/20/46/95/175204695.db2.gz LXMBJRUBTLFCFT-UHFFFAOYSA-N 0 0 242.105 3.859 10 0 BHAERN Cc1csc(-c2ccc(C=O)cc2)c1 ZINC000071610583 343965655 /nfs/dbraw/zinc/96/56/55/343965655.db2.gz PLMCGRCZHJPBAY-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN FC1=C(F)[C@@H](F)[C@](F)(Cl)C(F)=C1F ZINC000071614607 347249980 /nfs/dbraw/zinc/24/99/80/347249980.db2.gz ZYKJURGRZDUVGP-INEUFUBQSA-N 0 0 222.515 3.544 10 0 BHAERN FC1=C(F)[C@H](F)[C@](F)(Cl)C(F)=C1F ZINC000071614609 347250061 /nfs/dbraw/zinc/25/00/61/347250061.db2.gz ZYKJURGRZDUVGP-UJURSFKZSA-N 0 0 222.515 3.544 10 0 BHAERN FC1=C(F)[C@@H](F)[C@@](F)(Cl)C(F)=C1F ZINC000071614613 347249936 /nfs/dbraw/zinc/24/99/36/347249936.db2.gz ZYKJURGRZDUVGP-XINAWCOVSA-N 0 0 222.515 3.544 10 0 BHAERN FC1=C(F)[C@H](F)[C@@](F)(Cl)C(F)=C1F ZINC000071614616 347250158 /nfs/dbraw/zinc/25/01/58/347250158.db2.gz ZYKJURGRZDUVGP-NJGYIYPDSA-N 0 0 222.515 3.544 10 0 BHAERN POC(c1ccccc1)c1ccccc1 ZINC000071617406 384173744 /nfs/dbraw/zinc/17/37/44/384173744.db2.gz OVSFXKCTADOYFM-UHFFFAOYSA-N 0 0 216.220 3.583 10 0 BHAERN COc1cc(C(C)(C)c2ccccc2)ccc1N ZINC000071618714 384173554 /nfs/dbraw/zinc/17/35/54/384173554.db2.gz WMMMARBKVZTHKC-UHFFFAOYSA-N 0 0 241.334 3.603 10 0 BHAERN Cc1csc(-c2cccc(C=O)c2)c1 ZINC000071621517 384172692 /nfs/dbraw/zinc/17/26/92/384172692.db2.gz ZZWRHDCGPWPDLG-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN C=Cc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000071624219 350118461 /nfs/dbraw/zinc/11/84/61/350118461.db2.gz GVJYUIQFCRCQPT-NSHDSACASA-N 0 0 247.338 3.915 10 0 BHAERN CCOC(=O)c1ccc2ccccc2c1Cl ZINC000071765730 170298455 /nfs/dbraw/zinc/29/84/55/170298455.db2.gz KRGXWQDJXJQSNU-UHFFFAOYSA-N 0 0 234.682 3.670 10 0 BHAERN Cc1ccc(OC(C)(C)C)c(Br)c1 ZINC000071766069 374287095 /nfs/dbraw/zinc/28/70/95/374287095.db2.gz ARNKGDDSGOVYNR-UHFFFAOYSA-N 0 0 243.144 3.935 10 0 BHAERN c1ccc(CCCC2=NCCCS2)cc1 ZINC000071773837 343352721 /nfs/dbraw/zinc/35/27/21/343352721.db2.gz IHBWNLRQZSONBT-UHFFFAOYSA-N 0 0 219.353 3.545 10 0 BHAERN Clc1ccnc2c(Br)csc21 ZINC000071781637 487802831 /nfs/dbraw/zinc/80/28/31/487802831.db2.gz OJODRTVXLGGRAB-UHFFFAOYSA-N 0 0 248.532 3.712 10 0 BHAERN Brc1cccc2c1SCCS2 ZINC000071783348 166102020 /nfs/dbraw/zinc/10/20/20/166102020.db2.gz JDWDRBLISMFVKY-UHFFFAOYSA-N 0 0 247.182 3.647 10 0 BHAERN Oc1ccc(Cl)cc1Oc1ccccc1 ZINC000071789612 183273917 /nfs/dbraw/zinc/27/39/17/183273917.db2.gz PUJRASZLZCXERM-UHFFFAOYSA-N 0 0 220.655 3.838 10 0 BHAERN OCc1cccc(-c2cccc3ccccc32)c1 ZINC000071792009 183167428 /nfs/dbraw/zinc/16/74/28/183167428.db2.gz CPEWXOGTNXTTFZ-UHFFFAOYSA-N 0 0 234.298 3.999 10 0 BHAERN Nc1ccc(-c2cccc(CO)c2)c2ccccc12 ZINC000071792040 181695551 /nfs/dbraw/zinc/69/55/51/181695551.db2.gz BVRNUFDVOPYKMT-UHFFFAOYSA-N 0 0 249.313 3.581 10 0 BHAERN FC(F)(F)c1ccc(Cl)nc1C(F)(F)F ZINC000071792915 387151644 /nfs/dbraw/zinc/15/16/44/387151644.db2.gz PBCADMHKCLFSJK-UHFFFAOYSA-N 0 0 249.541 3.773 10 0 BHAERN Cn1cc(C(=O)[C@H]2CC=CCC2)c2ccccc21 ZINC000071973297 180635634 /nfs/dbraw/zinc/63/56/34/180635634.db2.gz LRWTURHCDGOKAS-LBPRGKRZSA-N 0 0 239.318 3.717 10 0 BHAERN Cn1cc(C(=O)[C@@H]2CC=CCC2)c2ccccc21 ZINC000071973299 398171327 /nfs/dbraw/zinc/17/13/27/398171327.db2.gz LRWTURHCDGOKAS-GFCCVEGCSA-N 0 0 239.318 3.717 10 0 BHAERN O=Cc1ccc2cccc3ssc1c32 ZINC000071973303 182870618 /nfs/dbraw/zinc/87/06/18/182870618.db2.gz AHEPGODLRHCTGV-UHFFFAOYSA-N 0 0 218.302 3.929 10 0 BHAERN O=Cc1ccc2ssc3cccc1c32 ZINC000071973304 398171347 /nfs/dbraw/zinc/17/13/47/398171347.db2.gz FURBESKDIUADDG-UHFFFAOYSA-N 0 0 218.302 3.929 10 0 BHAERN Clc1nc2cc(Cl)c(Cl)cc2o1 ZINC000071973969 191005058 /nfs/dbraw/zinc/00/50/58/191005058.db2.gz GJLGHNBLGXOPGL-UHFFFAOYSA-N 0 0 222.458 3.788 10 0 BHAERN C(=C/c1ccc2[nH]ccc2c1)\c1cccnc1 ZINC000072107905 166226803 /nfs/dbraw/zinc/22/68/03/166226803.db2.gz VJGPRFSMYYFICG-ONEGZZNKSA-N 0 0 220.275 3.733 10 0 BHAERN c1[nH]c2ccccc2c1CCCc1cccnc1 ZINC000072108564 385969112 /nfs/dbraw/zinc/96/91/12/385969112.db2.gz YBFSGMZRHXSPTL-UHFFFAOYSA-N 0 0 236.318 3.738 10 0 BHAERN O=c1ccc2cc(-c3ccc(F)cc3)ccc2o1 ZINC000072123498 183000944 /nfs/dbraw/zinc/00/09/44/183000944.db2.gz PLSIUGKFKAWUTD-UHFFFAOYSA-N 0 0 240.233 3.599 10 0 BHAERN O=c1ccc2cc(-c3cccs3)ccc2o1 ZINC000072127981 183000834 /nfs/dbraw/zinc/00/08/34/183000834.db2.gz NVROUZJKQRCFQT-UHFFFAOYSA-N 0 0 228.272 3.522 10 0 BHAERN Nc1ccc2cc(C3CCCCC3)ccc2n1 ZINC000072142904 385970816 /nfs/dbraw/zinc/97/08/16/385970816.db2.gz BHVZMOQDUOPYBI-UHFFFAOYSA-N 0 0 226.323 3.865 10 0 BHAERN O=C1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000072188038 182723888 /nfs/dbraw/zinc/72/38/88/182723888.db2.gz RDPBFQBYWVHSME-UHFFFAOYSA-N 0 0 242.240 3.932 10 0 BHAERN FC(F)(F)c1ccnn1-c1ccccc1Cl ZINC000072190471 384198489 /nfs/dbraw/zinc/19/84/89/384198489.db2.gz DIOSOXIEZJSEDR-UHFFFAOYSA-N 0 0 246.619 3.545 10 0 BHAERN FC(F)(F)c1ccnn1-c1cccc(Cl)c1 ZINC000072190472 384197772 /nfs/dbraw/zinc/19/77/72/384197772.db2.gz BAWHNJQMQYMYHW-UHFFFAOYSA-N 0 0 246.619 3.545 10 0 BHAERN FC(F)(F)c1ccnn1-c1ccc(Cl)cc1 ZINC000072190473 384197501 /nfs/dbraw/zinc/19/75/01/384197501.db2.gz WTCCRKUZKGVUSP-UHFFFAOYSA-N 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ZINC000072190494 384198138 /nfs/dbraw/zinc/19/81/38/384198138.db2.gz SLIRRODUUZULAJ-UHFFFAOYSA-N 0 0 244.294 3.740 10 0 BHAERN Fc1ccc(-n2nccc2-c2cccs2)cc1 ZINC000072190495 384197989 /nfs/dbraw/zinc/19/79/89/384197989.db2.gz PRPNXMHLXXRQGK-UHFFFAOYSA-N 0 0 244.294 3.740 10 0 BHAERN Cc1ccc(-n2nccc2-c2cccs2)cc1 ZINC000072190499 178349694 /nfs/dbraw/zinc/34/96/94/178349694.db2.gz ZYPLCHFPMHELDJ-UHFFFAOYSA-N 0 0 240.331 3.909 10 0 BHAERN Brc1ncc(-c2ccsc2)s1 ZINC000072191682 191004291 /nfs/dbraw/zinc/00/42/91/191004291.db2.gz ZBUXVXIWHBVUDK-UHFFFAOYSA-N 0 0 246.154 3.634 10 0 BHAERN Brc1ncc(-c2cccs2)s1 ZINC000072191689 191004502 /nfs/dbraw/zinc/00/45/02/191004502.db2.gz ZCHWCFPFTFGTBQ-UHFFFAOYSA-N 0 0 246.154 3.634 10 0 BHAERN Brc1nc(-c2ccsc2)cs1 ZINC000072191696 187788761 /nfs/dbraw/zinc/78/87/61/187788761.db2.gz WYVQBEPPLQWLJY-UHFFFAOYSA-N 0 0 246.154 3.634 10 0 BHAERN Brc1nc(C2CCCCC2)cs1 ZINC000072191701 191004513 /nfs/dbraw/zinc/00/45/13/191004513.db2.gz LBAIKBZZMDGSLQ-UHFFFAOYSA-N 0 0 246.173 3.953 10 0 BHAERN Cc1cc(F)ccc1-c1csc(Cl)n1 ZINC000072191789 178080734 /nfs/dbraw/zinc/08/07/34/178080734.db2.gz UVDKMDQZRJBMRE-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN Fc1cc(F)cc(-c2cnc(Cl)s2)c1 ZINC000072191802 384803724 /nfs/dbraw/zinc/80/37/24/384803724.db2.gz KJJSFHVTFYQBOM-UHFFFAOYSA-N 0 0 231.654 3.742 10 0 BHAERN Cc1cccc(-c2ccc(Br)cn2)c1 ZINC000072191833 178992975 /nfs/dbraw/zinc/99/29/75/178992975.db2.gz VZVLJNWFFTUPGQ-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Cc1ccc(-c2ccc(Br)cn2)cc1 ZINC000072191834 178323307 /nfs/dbraw/zinc/32/33/07/178323307.db2.gz JLFGIBVWTIXPSX-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Brc1ccc(C2CCCC2)o1 ZINC000072191871 166098469 /nfs/dbraw/zinc/09/84/69/166098469.db2.gz AFWGUTFANYYHPK-UHFFFAOYSA-N 0 0 215.090 3.700 10 0 BHAERN Brc1sccc1C1CCC1 ZINC000072191878 166108200 /nfs/dbraw/zinc/10/82/00/166108200.db2.gz AJBJFRLKSADIHU-UHFFFAOYSA-N 0 0 217.131 3.778 10 0 BHAERN Brc1sccc1-c1cccnc1 ZINC000072191896 166108684 /nfs/dbraw/zinc/10/86/84/166108684.db2.gz LSDBDDIEHVXIHR-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1sccc1-c1ccncc1 ZINC000072191903 166108379 /nfs/dbraw/zinc/10/83/79/166108379.db2.gz VSRLCTNTPRRTQK-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1occc1C1CCCC1 ZINC000072191910 191004662 /nfs/dbraw/zinc/00/46/62/191004662.db2.gz UFCCGEJTGCZOJN-UHFFFAOYSA-N 0 0 215.090 3.700 10 0 BHAERN Fc1ccccc1-c1ccoc1Br ZINC000072191915 181009679 /nfs/dbraw/zinc/00/96/79/181009679.db2.gz LTPHOAGIMHQCNS-UHFFFAOYSA-N 0 0 241.059 3.848 10 0 BHAERN Brc1scnc1C1CCCC1 ZINC000072192144 166109581 /nfs/dbraw/zinc/10/95/81/166109581.db2.gz JMTHMNLCQHANSC-UHFFFAOYSA-N 0 0 232.146 3.563 10 0 BHAERN Brc1scnc1C1CCCCC1 ZINC000072192145 166107964 /nfs/dbraw/zinc/10/79/64/166107964.db2.gz VGJFWSZAYRZUTE-UHFFFAOYSA-N 0 0 246.173 3.953 10 0 BHAERN Brc1ncsc1C1CCCCC1 ZINC000072192321 191004302 /nfs/dbraw/zinc/00/43/02/191004302.db2.gz PERLQLYJHHBYCX-UHFFFAOYSA-N 0 0 246.173 3.953 10 0 BHAERN Brc1ncsc1-c1ccccc1 ZINC000072192322 187276609 /nfs/dbraw/zinc/27/66/09/187276609.db2.gz JYYNRMYJOLQVTE-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1ccncc1C1CCCC1 ZINC000072192694 166103379 /nfs/dbraw/zinc/10/33/79/166103379.db2.gz MJGCXIXCBNRGGL-UHFFFAOYSA-N 0 0 226.117 3.502 10 0 BHAERN Brc1ccncc1C1CCCCC1 ZINC000072192696 166102537 /nfs/dbraw/zinc/10/25/37/166102537.db2.gz OQBJTUUODBITNC-UHFFFAOYSA-N 0 0 240.144 3.892 10 0 BHAERN Brc1cncc(C2CCCC2)c1 ZINC000072192714 166105069 /nfs/dbraw/zinc/10/50/69/166105069.db2.gz PFPRWMLJAPIMPH-UHFFFAOYSA-N 0 0 226.117 3.502 10 0 BHAERN Brc1cncc(C2CCCCC2)c1 ZINC000072192720 166104652 /nfs/dbraw/zinc/10/46/52/166104652.db2.gz GKIAJCAULUPYJH-UHFFFAOYSA-N 0 0 240.144 3.892 10 0 BHAERN Cc1ccccc1-c1cncc(Br)c1 ZINC000072192727 179237127 /nfs/dbraw/zinc/23/71/27/179237127.db2.gz BJFAARIAEMJUHJ-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Brc1cncc(-c2cccs2)c1 ZINC000072192755 166105156 /nfs/dbraw/zinc/10/51/56/166105156.db2.gz OOVQIONIXTXWSX-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Cc1nc(C(C)(C)C)sc1Br ZINC000072192976 179892742 /nfs/dbraw/zinc/89/27/42/179892742.db2.gz OZZNCBWJRGPSSK-UHFFFAOYSA-N 0 0 234.162 3.512 10 0 BHAERN Clc1ncc(-c2ccnc(Cl)c2)s1 ZINC000072193079 384198578 /nfs/dbraw/zinc/19/85/78/384198578.db2.gz QPXIFGGWNZXWPS-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN Brc1ccc(C2CCC2)cc1 ZINC000072193141 166097487 /nfs/dbraw/zinc/09/74/87/166097487.db2.gz LXAHIRNAGNLEOU-UHFFFAOYSA-N 0 0 211.102 3.717 10 0 BHAERN Brc1cccc(C2CCC2)c1 ZINC000072193159 166101568 /nfs/dbraw/zinc/10/15/68/166101568.db2.gz FIILPMPZIQFZCG-UHFFFAOYSA-N 0 0 211.102 3.717 10 0 BHAERN CC[C@@H](C)c1ccccc1Br ZINC000072193180 384197439 /nfs/dbraw/zinc/19/74/39/384197439.db2.gz COACNEHIGAJGRD-MRVPVSSYSA-N 0 0 213.118 3.963 10 0 BHAERN CC[C@H](C)c1ccccc1Br ZINC000072193181 384198361 /nfs/dbraw/zinc/19/83/61/384198361.db2.gz COACNEHIGAJGRD-QMMMGPOBSA-N 0 0 213.118 3.963 10 0 BHAERN Brc1ccccc1C1CCC1 ZINC000072193182 166103520 /nfs/dbraw/zinc/10/35/20/166103520.db2.gz UTQZIMXWWOLJPU-UHFFFAOYSA-N 0 0 211.102 3.717 10 0 BHAERN Clc1cc(C2CCCCC2)nc(Cl)n1 ZINC000072193230 384826967 /nfs/dbraw/zinc/82/69/67/384826967.db2.gz XYCQMHOEZOGUTB-UHFFFAOYSA-N 0 0 231.126 3.831 10 0 BHAERN Cc1ccccc1-c1cc(Cl)nc(Cl)n1 ZINC000072193232 179235093 /nfs/dbraw/zinc/23/50/93/179235093.db2.gz HZBYNAJCWYPPAK-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN Fc1ccccc1-c1cc(Cl)nc(Cl)n1 ZINC000072193234 181009655 /nfs/dbraw/zinc/00/96/55/181009655.db2.gz HWDJVWXXSNIWKD-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Fc1cccc(-c2cc(Cl)nc(Cl)n2)c1 ZINC000072193235 180993312 /nfs/dbraw/zinc/99/33/12/180993312.db2.gz BQWWWZDWTUNSFW-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Clc1cc(-c2ccsc2)nc(Cl)n1 ZINC000072193242 384812772 /nfs/dbraw/zinc/81/27/72/384812772.db2.gz FZVXZNWUQZGOFR-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN CC(C)(C)c1cnc(Br)cc1Cl ZINC000072193328 188307251 /nfs/dbraw/zinc/30/72/51/188307251.db2.gz VSVBCAAZHBJMJR-UHFFFAOYSA-N 0 0 248.551 3.795 10 0 BHAERN Cc1cc(Br)ccc1C1CC1 ZINC000072193330 537903346 /nfs/dbraw/zinc/90/33/46/537903346.db2.gz RRCWRJLSPITLTI-UHFFFAOYSA-N 0 0 211.102 3.635 10 0 BHAERN Clc1cc(Br)ccc1C1CC1 ZINC000072193331 537902096 /nfs/dbraw/zinc/90/20/96/537902096.db2.gz VLEPDFYZOPLKJS-UHFFFAOYSA-N 0 0 231.520 3.980 10 0 BHAERN Cc1cc(C2CC2)ccc1Br ZINC000072193337 537903901 /nfs/dbraw/zinc/90/39/01/537903901.db2.gz VAVLPOZFAHGLTF-UHFFFAOYSA-N 0 0 211.102 3.635 10 0 BHAERN Clc1cc(C2CC2)ccc1Br ZINC000072193338 537903071 /nfs/dbraw/zinc/90/30/71/537903071.db2.gz AHVYEOMHWKKXJH-UHFFFAOYSA-N 0 0 231.520 3.980 10 0 BHAERN Cc1ccc(Br)cc1C1CC1 ZINC000072193345 178362273 /nfs/dbraw/zinc/36/22/73/178362273.db2.gz VXEVKMHCLMGULG-UHFFFAOYSA-N 0 0 211.102 3.635 10 0 BHAERN Clc1ccc(Br)cc1C1CC1 ZINC000072193346 537903018 /nfs/dbraw/zinc/90/30/18/537903018.db2.gz DLWFGDCMDIBIDH-UHFFFAOYSA-N 0 0 231.520 3.980 10 0 BHAERN Clc1ccc(C2CC2)cc1Br ZINC000072193362 537939327 /nfs/dbraw/zinc/93/93/27/537939327.db2.gz VDULDGTZGAMTCM-UHFFFAOYSA-N 0 0 231.520 3.980 10 0 BHAERN Cc1ccc(Br)c(C2CC2)c1 ZINC000072193366 191004766 /nfs/dbraw/zinc/00/47/66/191004766.db2.gz KRCLSBHRQGMQRQ-UHFFFAOYSA-N 0 0 211.102 3.635 10 0 BHAERN Clc1ccc(Br)c(C2CC2)c1 ZINC000072193367 187961482 /nfs/dbraw/zinc/96/14/82/187961482.db2.gz MDPBLRKYSXHQRV-UHFFFAOYSA-N 0 0 231.520 3.980 10 0 BHAERN Cc1ccc(C2CC2)c(Br)c1 ZINC000072193373 537902217 /nfs/dbraw/zinc/90/22/17/537902217.db2.gz FDXJWNQLFJDPET-UHFFFAOYSA-N 0 0 211.102 3.635 10 0 BHAERN Clc1ccc(C2CC2)c(Br)c1 ZINC000072193374 490375493 /nfs/dbraw/zinc/37/54/93/490375493.db2.gz PFIKPGXZRASECP-UHFFFAOYSA-N 0 0 231.520 3.980 10 0 BHAERN CC(C)c1cnc(Br)cc1Cl ZINC000072193448 191004996 /nfs/dbraw/zinc/00/49/96/191004996.db2.gz GIPPRZMKDFMTRE-UHFFFAOYSA-N 0 0 234.524 3.621 10 0 BHAERN CC(C)c1cc(Cl)c(Br)cn1 ZINC000072193451 384810797 /nfs/dbraw/zinc/81/07/97/384810797.db2.gz QGYNRPNZNOZFTH-UHFFFAOYSA-N 0 0 234.524 3.621 10 0 BHAERN Clc1cc(C2CCC2)ncc1Br ZINC000072193453 384812384 /nfs/dbraw/zinc/81/23/84/384812384.db2.gz ZAZZZGXWLURENF-UHFFFAOYSA-N 0 0 246.535 3.765 10 0 BHAERN N[C@H](c1cccc(Cl)c1Cl)C(F)(F)F ZINC000072195268 181632168 /nfs/dbraw/zinc/63/21/68/181632168.db2.gz OULNGNJINGDFDA-SSDOTTSWSA-N 0 0 244.043 3.556 10 0 BHAERN CCCCCc1ccc([C@H](N)C(F)(F)F)cc1 ZINC000072195290 168748581 /nfs/dbraw/zinc/74/85/81/168748581.db2.gz LCQBQZDWOSWQPP-LBPRGKRZSA-N 0 0 245.288 3.981 10 0 BHAERN c1ccc(COc2ccc3ccncc3c2)cc1 ZINC000072232897 384202647 /nfs/dbraw/zinc/20/26/47/384202647.db2.gz TZCRQKUXTYFUCV-UHFFFAOYSA-N 0 0 235.286 3.814 10 0 BHAERN COc1c(Cl)c(Cl)nc(Cl)c1Cl ZINC000072232936 174929088 /nfs/dbraw/zinc/92/90/88/174929088.db2.gz UEFGYANGIQRCFI-UHFFFAOYSA-N 0 0 246.908 3.704 10 0 BHAERN CC1(c2ccc(Br)cc2)CC1 ZINC000072233168 188306772 /nfs/dbraw/zinc/30/67/72/188306772.db2.gz AEWSCKXHKZOLMX-UHFFFAOYSA-N 0 0 211.102 3.501 10 0 BHAERN Cc1cc(C)c2ncc(C)c(Cl)c2c1 ZINC000072236954 384842645 /nfs/dbraw/zinc/84/26/45/384842645.db2.gz SDJLJSICDUYZQV-UHFFFAOYSA-N 0 0 205.688 3.813 10 0 BHAERN Cc1ccc2c(Cl)c(C)cnc2c1C ZINC000072237038 384840487 /nfs/dbraw/zinc/84/04/87/384840487.db2.gz YCRUEDXHKLXDMA-UHFFFAOYSA-N 0 0 205.688 3.813 10 0 BHAERN Cc1cc(C)c2c(Cl)c(C)cnc2c1 ZINC000072237057 384842200 /nfs/dbraw/zinc/84/22/00/384842200.db2.gz KRPBOBBDYDQGIA-UHFFFAOYSA-N 0 0 205.688 3.813 10 0 BHAERN CCOc1ccc2c(Cl)cc(C)nc2c1 ZINC000072237176 170566834 /nfs/dbraw/zinc/56/68/34/170566834.db2.gz KPADJJXCAQFBKF-UHFFFAOYSA-N 0 0 221.687 3.595 10 0 BHAERN Cc1cc2c(=S)cc[nH]c2cc1Cl ZINC000072237455 178278343 /nfs/dbraw/zinc/27/83/43/178278343.db2.gz RSBCUZAMCUUECW-UHFFFAOYSA-N 0 0 209.701 3.859 10 0 BHAERN Cc1ccc2sc3c(cc(=O)oc3C)c2c1 ZINC000072240679 642474132 /nfs/dbraw/zinc/47/41/32/642474132.db2.gz AUXMYACRYAUKAR-UHFFFAOYSA-N 0 0 230.288 3.625 10 0 BHAERN Cl/C=C(\Cl)C(Cl)(Cl)Cl ZINC000072265612 180568087 /nfs/dbraw/zinc/56/80/87/180568087.db2.gz JRIUOOQEOFUGNA-UPHRSURJSA-N 0 0 214.306 3.676 10 0 BHAERN FC1(F)C[C@@H](c2ccccc2)[C@]1(F)Cl ZINC000072265618 384887457 /nfs/dbraw/zinc/88/74/57/384887457.db2.gz NCRFOYWTNIBAGJ-WCBMZHEXSA-N 0 0 220.621 3.714 10 0 BHAERN FC1(F)C[C@H](c2ccccc2)[C@]1(F)Cl ZINC000072265619 384887873 /nfs/dbraw/zinc/88/78/73/384887873.db2.gz NCRFOYWTNIBAGJ-PSASIEDQSA-N 0 0 220.621 3.714 10 0 BHAERN FC1(F)C[C@@H](c2ccccc2)[C@@]1(F)Cl ZINC000072265620 384886631 /nfs/dbraw/zinc/88/66/31/384886631.db2.gz NCRFOYWTNIBAGJ-WPRPVWTQSA-N 0 0 220.621 3.714 10 0 BHAERN FC1(F)C[C@H](c2ccccc2)[C@@]1(F)Cl ZINC000072265621 384885814 /nfs/dbraw/zinc/88/58/14/384885814.db2.gz NCRFOYWTNIBAGJ-SCZZXKLOSA-N 0 0 220.621 3.714 10 0 BHAERN Cc1ccc(/C=C\c2ccc(N)cc2)cc1 ZINC000072266065 343110835 /nfs/dbraw/zinc/11/08/35/343110835.db2.gz IYLUPPNUGBEWFI-SREVYHEPSA-N 0 0 209.292 3.748 10 0 BHAERN Cc1ccc2nccc(-c3ccoc3)c2c1 ZINC000072266119 384888409 /nfs/dbraw/zinc/88/84/09/384888409.db2.gz DMMRJTYQHXZZKU-UHFFFAOYSA-N 0 0 209.248 3.803 10 0 BHAERN Cc1ccc(Nc2nc3ccccc3[nH]2)c(F)c1 ZINC000072416290 384113487 /nfs/dbraw/zinc/11/34/87/384113487.db2.gz KVNDFRBYAHUPHP-UHFFFAOYSA-N 0 0 241.269 3.754 10 0 BHAERN CCCC1=C(C)Sc2ccccc2NC1=O ZINC000072416385 384110371 /nfs/dbraw/zinc/11/03/71/384110371.db2.gz GVUAZVVXYFWPHO-UHFFFAOYSA-N 0 0 233.336 3.805 10 0 BHAERN O=C1C[C@H](c2ccc(Cl)cc2)Cc2c[nH]cc21 ZINC000072416540 384116851 /nfs/dbraw/zinc/11/68/51/384116851.db2.gz CKOGKEGDTGQMCT-SNVBAGLBSA-N 0 0 245.709 3.581 10 0 BHAERN O=C1C[C@@H](c2ccc(Cl)cc2)Cc2c[nH]cc21 ZINC000072416541 384117591 /nfs/dbraw/zinc/11/75/91/384117591.db2.gz CKOGKEGDTGQMCT-JTQLQIEISA-N 0 0 245.709 3.581 10 0 BHAERN Cc1nc(-c2ccc(Cl)cc2)ccc1[C@@H](C)O ZINC000072416725 388639871 /nfs/dbraw/zinc/63/98/71/388639871.db2.gz GOOICOWTQUACDO-SNVBAGLBSA-N 0 0 247.725 3.764 10 0 BHAERN Cc1nc(-c2ccc(Cl)cc2)ccc1[C@H](C)O ZINC000072416726 388639868 /nfs/dbraw/zinc/63/98/68/388639868.db2.gz GOOICOWTQUACDO-JTQLQIEISA-N 0 0 247.725 3.764 10 0 BHAERN CC1CCC(=C2c3ccccc3NC2=O)CC1 ZINC000072416741 343952334 /nfs/dbraw/zinc/95/23/34/343952334.db2.gz PYGMRDGFMAJJIA-UHFFFAOYSA-N 0 0 227.307 3.602 10 0 BHAERN CSc1ccc(-c2cc[nH]c(=S)n2)cc1 ZINC000072416856 187789166 /nfs/dbraw/zinc/78/91/66/187789166.db2.gz IQEKAXKBLPZVHN-UHFFFAOYSA-N 0 0 234.349 3.528 10 0 BHAERN CC(C)c1ccc(C=Cc2cc[nH]n2)cc1 ZINC000072416869 384131855 /nfs/dbraw/zinc/13/18/55/384131855.db2.gz BZYPOHBEZJXSIT-VMPITWQZSA-N 0 0 212.296 3.704 10 0 BHAERN CC(=O)c1ccc(-c2ccc(C)cc2)nc1C ZINC000072417064 166449228 /nfs/dbraw/zinc/44/92/28/166449228.db2.gz FDHWJLUZVRMCBT-UHFFFAOYSA-N 0 0 225.291 3.568 10 0 BHAERN CCNc1c(Cl)cc(C)cc1C(=O)SC ZINC000072417478 170171611 /nfs/dbraw/zinc/17/16/11/170171611.db2.gz JUFXDWCBOTXUOG-UHFFFAOYSA-N 0 0 243.759 3.583 10 0 BHAERN CSC(=O)c1cccc2c1NC(C)(C)C[C@H]2C ZINC000072417486 398141959 /nfs/dbraw/zinc/14/19/59/398141959.db2.gz MYOARPSKZDTQQS-SECBINFHSA-N 0 0 249.379 3.888 10 0 BHAERN CSC(=O)c1cccc2c1NC(C)(C)C[C@@H]2C ZINC000072417487 398142484 /nfs/dbraw/zinc/14/24/84/398142484.db2.gz MYOARPSKZDTQQS-VIFPVBQESA-N 0 0 249.379 3.888 10 0 BHAERN Cc1ccccc1[C@H](C)NC(=O)C[C@@H]1C=CCC1 ZINC000072704357 179336472 /nfs/dbraw/zinc/33/64/72/179336472.db2.gz JMNQICRMANUQEE-UONOGXRCSA-N 0 0 243.350 3.529 10 0 BHAERN CN(Cc1ccc2ccccc2n1)c1ccccc1 ZINC000072815878 325176258 /nfs/dbraw/zinc/17/62/58/325176258.db2.gz LOKPVLBQMWSBGQ-UHFFFAOYSA-N 0 0 248.329 3.871 10 0 BHAERN CC(C)[C@@H](C)NC(=O)c1csc2ccccc12 ZINC000073170718 325191321 /nfs/dbraw/zinc/19/13/21/325191321.db2.gz MOBCQLOTVMGTSI-SNVBAGLBSA-N 0 0 247.363 3.676 10 0 BHAERN CC(C)[C@H](C)NC(=O)c1csc2ccccc12 ZINC000073170719 325191285 /nfs/dbraw/zinc/19/12/85/325191285.db2.gz MOBCQLOTVMGTSI-JTQLQIEISA-N 0 0 247.363 3.676 10 0 BHAERN Clc1ccc(-n2ccc3ccncc32)cc1 ZINC000073294258 387941805 /nfs/dbraw/zinc/94/18/05/387941805.db2.gz GDMLGNYZIQPHPS-UHFFFAOYSA-N 0 0 228.682 3.679 10 0 BHAERN CCC(CC)C(=O)NC1CCC(CC)CC1 ZINC000073545029 322954312 /nfs/dbraw/zinc/95/43/12/322954312.db2.gz KCHSXQFAKLJJLP-UHFFFAOYSA-N 0 0 225.376 3.508 10 0 BHAERN Cc1cc2sc(-c3cccnc3)nc2c(C)c1 ZINC000073635525 384025667 /nfs/dbraw/zinc/02/56/67/384025667.db2.gz LEZVTXKFCGUQMC-UHFFFAOYSA-N 0 0 240.331 3.975 10 0 BHAERN Cc1cc2sc(-c3ccncc3)nc2c(C)c1 ZINC000073635533 177885545 /nfs/dbraw/zinc/88/55/45/177885545.db2.gz CBFXKOZMQUGSMN-UHFFFAOYSA-N 0 0 240.331 3.975 10 0 BHAERN Cc1cc2nc(-c3ccncc3)oc2c(C)c1 ZINC000073635968 384024361 /nfs/dbraw/zinc/02/43/61/384024361.db2.gz KMFKAOHGQXPFRP-UHFFFAOYSA-N 0 0 224.263 3.507 10 0 BHAERN Cc1cc2nc(-c3ccncc3)oc2cc1C ZINC000073635972 178299814 /nfs/dbraw/zinc/29/98/14/178299814.db2.gz GZZLKFDXMVVIHK-UHFFFAOYSA-N 0 0 224.263 3.507 10 0 BHAERN Clc1ccc2oc(-c3ccncc3)nc2c1 ZINC000073635974 384023686 /nfs/dbraw/zinc/02/36/86/384023686.db2.gz STQSLZAKUMZJTP-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN Cc1cc2nc(-c3cccnc3)oc2c(C)c1 ZINC000073636039 384027963 /nfs/dbraw/zinc/02/79/63/384027963.db2.gz UVFNSUBZRVHXIA-UHFFFAOYSA-N 0 0 224.263 3.507 10 0 BHAERN Cc1cc2nc(-c3cccnc3)oc2cc1C ZINC000073636043 178300593 /nfs/dbraw/zinc/30/05/93/178300593.db2.gz BZHFMJJZQPXXFG-UHFFFAOYSA-N 0 0 224.263 3.507 10 0 BHAERN Cc1cc2[nH]c(-c3cccnc3)nc2cc1Cl ZINC000073636332 188114559 /nfs/dbraw/zinc/11/45/59/188114559.db2.gz YOUBONOEFSEYIF-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN Cc1ccc2nc(-c3cccnc3)oc2c1C ZINC000073638622 384029362 /nfs/dbraw/zinc/02/93/62/384029362.db2.gz FYDKSAOABWSAKB-UHFFFAOYSA-N 0 0 224.263 3.507 10 0 BHAERN Cc1cc2[nH]c(-c3ccncc3)nc2cc1Cl ZINC000073638671 384027613 /nfs/dbraw/zinc/02/76/13/384027613.db2.gz KUUBWNBDUFODFY-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN Cc1ccc2nc(-c3ccncc3)oc2c1C ZINC000073638677 384027956 /nfs/dbraw/zinc/02/79/56/384027956.db2.gz XIDLOWRSAIKZKF-UHFFFAOYSA-N 0 0 224.263 3.507 10 0 BHAERN Cc1cccc2nc(Cc3ccccc3)oc21 ZINC000073638705 179229731 /nfs/dbraw/zinc/22/97/31/179229731.db2.gz YAEXIYJHQHAEIG-UHFFFAOYSA-N 0 0 223.275 3.727 10 0 BHAERN CCc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000073638741 384029308 /nfs/dbraw/zinc/02/93/08/384029308.db2.gz CCTNGELHXCPZCU-UHFFFAOYSA-N 0 0 237.302 3.981 10 0 BHAERN Cc1cc2[nH]c(Cc3ccccc3)nc2c(C)c1 ZINC000073638848 384029185 /nfs/dbraw/zinc/02/91/85/384029185.db2.gz OYOVDJVCLRNAOQ-UHFFFAOYSA-N 0 0 236.318 3.771 10 0 BHAERN Cc1ccc(C)c(-c2nc3ncccc3o2)c1 ZINC000073638992 384027543 /nfs/dbraw/zinc/02/75/43/384027543.db2.gz TYFKHSPFOWTEKV-UHFFFAOYSA-N 0 0 224.263 3.507 10 0 BHAERN Cc1ccc2nc(-c3cccc(F)c3)oc2c1 ZINC000073639029 188114787 /nfs/dbraw/zinc/11/47/87/188114787.db2.gz MHVZYLRTXWFPOV-UHFFFAOYSA-N 0 0 227.238 3.942 10 0 BHAERN COc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000073639749 175231360 /nfs/dbraw/zinc/23/13/60/175231360.db2.gz ZXCXZYZGNVKNQL-UHFFFAOYSA-N 0 0 239.274 3.812 10 0 BHAERN Cc1ccc(-c2c[nH]c3c2nc[nH]c3=S)cc1 ZINC000073665525 178318082 /nfs/dbraw/zinc/31/80/82/178318082.db2.gz VOTLWBCTJUTQRO-UHFFFAOYSA-N 0 0 241.319 3.596 10 0 BHAERN CCCSc1nc2ccccc2nc1Cl ZINC000073665698 169341755 /nfs/dbraw/zinc/34/17/55/169341755.db2.gz MBKAIYDYWAILPN-UHFFFAOYSA-N 0 0 238.743 3.785 10 0 BHAERN CC(C)Sc1nc2ccccc2nc1Cl ZINC000073665768 167339043 /nfs/dbraw/zinc/33/90/43/167339043.db2.gz WNRPLRARJMVVON-UHFFFAOYSA-N 0 0 238.743 3.784 10 0 BHAERN Cc1cc(C)c(-c2c[nH]c(=S)o2)c(C)c1 ZINC000073666137 177832870 /nfs/dbraw/zinc/83/28/70/177832870.db2.gz OHCJAOWKAFPPHD-UHFFFAOYSA-N 0 0 219.309 3.929 10 0 BHAERN FC(F)(F)Oc1ccc2[nH]c3c(c2c1)CCC3 ZINC000073667310 643784129 /nfs/dbraw/zinc/78/41/29/643784129.db2.gz SRUIGAYGPNNRRM-UHFFFAOYSA-N 0 0 241.212 3.555 10 0 BHAERN CC(=O)CC(C)(C)Nc1ccc(Cl)cc1 ZINC000073711123 187940337 /nfs/dbraw/zinc/94/03/37/187940337.db2.gz JXWCSPLQPDHCAU-UHFFFAOYSA-N 0 0 225.719 3.510 10 0 BHAERN C[C@H](Nc1ccccn1)c1c[nH]c2ccccc21 ZINC000073733940 176936729 /nfs/dbraw/zinc/93/67/29/176936729.db2.gz QYKSQTPJWCNONG-NSHDSACASA-N 0 0 237.306 3.736 10 0 BHAERN CC(C)c1ccc(-c2ccc(C=O)[nH]2)cc1 ZINC000074141725 644265120 /nfs/dbraw/zinc/26/51/20/644265120.db2.gz LHPDFKGNRIQUQU-UHFFFAOYSA-N 0 0 213.280 3.618 10 0 BHAERN Cc1cccc(-c2ccsc2C=O)c1 ZINC000074209599 541313841 /nfs/dbraw/zinc/31/38/41/541313841.db2.gz OIVQOJNQUOONAC-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN Cc1ccccc1-c1ccsc1C=O ZINC000074209602 541313963 /nfs/dbraw/zinc/31/39/63/541313963.db2.gz SPEPPAYWEYITJR-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN Cc1ccc(-c2ccsc2C=O)cc1 ZINC000074209603 541313961 /nfs/dbraw/zinc/31/39/61/541313961.db2.gz CUPVXUXUPJQILS-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN Cc1ccnc2[nH]c(-c3cccc(Cl)c3)nc21 ZINC000074327336 179471086 /nfs/dbraw/zinc/47/10/86/179471086.db2.gz YLVRJPOMDYCTRK-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN Clc1cccc(-c2nc3cccnc3o2)c1 ZINC000074328201 398300444 /nfs/dbraw/zinc/30/04/44/398300444.db2.gz KJJRZIQCJKHFIN-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN CCC[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000074344045 488000998 /nfs/dbraw/zinc/00/09/98/488000998.db2.gz CUQFLLICRWZABS-OLZOCXBDSA-N 0 0 248.370 3.544 10 0 BHAERN CCC[C@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000074344046 487999658 /nfs/dbraw/zinc/99/96/58/487999658.db2.gz CUQFLLICRWZABS-STQMWFEESA-N 0 0 248.370 3.544 10 0 BHAERN CCC[C@@H](C)NC(=O)N[C@H](C)c1ccccc1C ZINC000074344047 487999744 /nfs/dbraw/zinc/99/97/44/487999744.db2.gz CUQFLLICRWZABS-CHWSQXEVSA-N 0 0 248.370 3.544 10 0 BHAERN CCC[C@H](C)NC(=O)N[C@H](C)c1ccccc1C ZINC000074344048 487999007 /nfs/dbraw/zinc/99/90/07/487999007.db2.gz CUQFLLICRWZABS-QWHCGFSZSA-N 0 0 248.370 3.544 10 0 BHAERN CC(=O)c1ccc(C(Cl)(Cl)Cl)cc1 ZINC000074369972 187277107 /nfs/dbraw/zinc/27/71/07/187277107.db2.gz LSGDZBVFSLBWLJ-UHFFFAOYSA-N 0 0 237.513 3.716 10 0 BHAERN Cc1cc([C@H](O)CC(C)C)ccc1Cl ZINC000074369989 178264086 /nfs/dbraw/zinc/26/40/86/178264086.db2.gz FBRLJJDUVJJGSI-GFCCVEGCSA-N 0 0 212.720 3.728 10 0 BHAERN Cc1cc([C@@H](O)CC(C)C)ccc1Cl ZINC000074370001 178237312 /nfs/dbraw/zinc/23/73/12/178237312.db2.gz FBRLJJDUVJJGSI-LBPRGKRZSA-N 0 0 212.720 3.728 10 0 BHAERN C[C@H](O)c1ccc(C(Cl)(Cl)Cl)cc1 ZINC000074370208 188131722 /nfs/dbraw/zinc/13/17/22/188131722.db2.gz ZAEZVKSWTQBOJT-LURJTMIESA-N 0 0 239.529 3.567 10 0 BHAERN CCC1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000074385876 134943788 /nfs/dbraw/zinc/94/37/88/134943788.db2.gz RBHRHHBRZJDGBF-UHFFFAOYSA-N 0 0 249.354 3.595 10 0 BHAERN CCC1CCC(NC(=O)CCC(C)C)CC1 ZINC000074401993 325245282 /nfs/dbraw/zinc/24/52/82/325245282.db2.gz SAOSAQXKKGUTHV-UHFFFAOYSA-N 0 0 225.376 3.508 10 0 BHAERN Cc1ccc(-c2nc3c(cccc3N)o2)cc1C ZINC000074412903 178337104 /nfs/dbraw/zinc/33/71/04/178337104.db2.gz OBTVVBQUHMCUPF-UHFFFAOYSA-N 0 0 238.290 3.694 10 0 BHAERN CCOC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000074468883 170202476 /nfs/dbraw/zinc/20/24/76/170202476.db2.gz IELTXVBKZJKOJE-UHFFFAOYSA-N 0 0 248.366 3.870 10 0 BHAERN CCC[C@@H](C)C(=O)NC1CCC(CC)CC1 ZINC000074499757 325248531 /nfs/dbraw/zinc/24/85/31/325248531.db2.gz UOVFFTRYCWBECM-PNESKVBLSA-N 0 0 225.376 3.508 10 0 BHAERN CCC[C@H](C)C(=O)NC1CCC(CC)CC1 ZINC000074499760 325248489 /nfs/dbraw/zinc/24/84/89/325248489.db2.gz UOVFFTRYCWBECM-HIFPTAJRSA-N 0 0 225.376 3.508 10 0 BHAERN O=Nc1c(-c2ccc(F)cc2)nc2ccccn21 ZINC000074543327 387514799 /nfs/dbraw/zinc/51/47/99/387514799.db2.gz HQJLJBMADNWMML-UHFFFAOYSA-N 0 0 241.225 3.538 10 0 BHAERN C[C@@H]1CCC[C@H](C)N1C(=O)OCc1ccccc1 ZINC000074924602 177116410 /nfs/dbraw/zinc/11/64/10/177116410.db2.gz OWDOUERXHFTHJS-BETUJISGSA-N 0 0 247.338 3.586 10 0 BHAERN C[C@H]1CCC[C@H](C)N1C(=O)OCc1ccccc1 ZINC000074924603 177131310 /nfs/dbraw/zinc/13/13/10/177131310.db2.gz OWDOUERXHFTHJS-STQMWFEESA-N 0 0 247.338 3.586 10 0 BHAERN C[C@@H]1CCC[C@@H](C)N1C(=O)OCc1ccccc1 ZINC000074924605 176115840 /nfs/dbraw/zinc/11/58/40/176115840.db2.gz OWDOUERXHFTHJS-CHWSQXEVSA-N 0 0 247.338 3.586 10 0 BHAERN Cc1sc2ccc(C(C)C)cc2c1N ZINC000074942462 384314991 /nfs/dbraw/zinc/31/49/91/384314991.db2.gz FYXYDQJMLDHWLG-UHFFFAOYSA-N 0 0 205.326 3.915 10 0 BHAERN FC(F)CNc1ccnc2cc(Cl)ccc21 ZINC000075060043 386070341 /nfs/dbraw/zinc/07/03/41/386070341.db2.gz SJWOXVUKKYZOPM-UHFFFAOYSA-N 0 0 242.656 3.565 10 0 BHAERN c1c2ccccc2[nH]c1NC1CCCC1 ZINC000075125618 643686315 /nfs/dbraw/zinc/68/63/15/643686315.db2.gz CSIOVGACRBDPSG-UHFFFAOYSA-N 0 0 200.285 3.522 10 0 BHAERN CCC(CC)Nc1cc2ccccc2[nH]1 ZINC000075127446 643687303 /nfs/dbraw/zinc/68/73/03/643687303.db2.gz LUFCAJSXMFXFLO-UHFFFAOYSA-N 0 0 202.301 3.768 10 0 BHAERN c1c2ccccc2[nH]c1NC1CCCCC1 ZINC000075138860 641747907 /nfs/dbraw/zinc/74/79/07/641747907.db2.gz XEQICFAPISGJTR-UHFFFAOYSA-N 0 0 214.312 3.913 10 0 BHAERN CC(C)(C)c1n[nH]c(=S)n1C1CCCCC1 ZINC000075321991 537926723 /nfs/dbraw/zinc/92/67/23/537926723.db2.gz JAWZJMJNHHSUTF-UHFFFAOYSA-N 0 0 239.388 3.743 10 0 BHAERN CC(C)Cc1n[nH]c(=S)n1C1CCCCC1 ZINC000075321992 537925383 /nfs/dbraw/zinc/92/53/83/537925383.db2.gz KVWQCTPIQPMIDU-UHFFFAOYSA-N 0 0 239.388 3.644 10 0 BHAERN CC(=O)c1sccc1-c1ccc(F)cc1 ZINC000075386051 537814353 /nfs/dbraw/zinc/81/43/53/537814353.db2.gz OSGWKXIMXGWKNT-UHFFFAOYSA-N 0 0 220.268 3.757 10 0 BHAERN COc1ccc(-c2ccsc2C(C)=O)cc1 ZINC000075386055 347252687 /nfs/dbraw/zinc/25/26/87/347252687.db2.gz AXPJDJWEPGPQIE-UHFFFAOYSA-N 0 0 232.304 3.626 10 0 BHAERN CC(=O)c1sccc1-c1cccs1 ZINC000075386076 537925610 /nfs/dbraw/zinc/92/56/10/537925610.db2.gz HKQUXXDCOLIQMI-UHFFFAOYSA-N 0 0 208.307 3.679 10 0 BHAERN CCC1SC(=S)N=C1c1cccs1 ZINC000075420778 172129157 /nfs/dbraw/zinc/12/91/57/172129157.db2.gz FXZHMVBPIDOJEO-UHFFFAOYSA-N 0 0 227.379 3.723 10 0 BHAERN Cc1c(C=O)sc2c1cccc2Cl ZINC000075426847 344013299 /nfs/dbraw/zinc/01/32/99/344013299.db2.gz DORBCKQBLMFKQN-UHFFFAOYSA-N 0 0 210.685 3.676 10 0 BHAERN Clc1nnc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000075484372 180604064 /nfs/dbraw/zinc/60/40/64/180604064.db2.gz JQQCHCIJDHCMRM-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN O=Cc1cscc1-c1cccc(Cl)c1 ZINC000075525176 537928076 /nfs/dbraw/zinc/92/80/76/537928076.db2.gz HOWZKFHBDUGZAS-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN CCNc1ccc(-c2nc3ccccc3o2)cc1 ZINC000075824919 170173109 /nfs/dbraw/zinc/17/31/09/170173109.db2.gz LAGREIFTMCYOHC-UHFFFAOYSA-N 0 0 238.290 3.927 10 0 BHAERN CCCCNc1nc2ccc(F)cc2s1 ZINC000075825098 168882417 /nfs/dbraw/zinc/88/24/17/168882417.db2.gz QYMUZPGKIJCUHW-UHFFFAOYSA-N 0 0 224.304 3.647 10 0 BHAERN CC(C)CNc1nc2ccc(F)cc2s1 ZINC000075825556 167018587 /nfs/dbraw/zinc/01/85/87/167018587.db2.gz BTPDHIVQFLVGNE-UHFFFAOYSA-N 0 0 224.304 3.503 10 0 BHAERN CC(C)c1c(F)c(F)c(F)c(F)c1F ZINC000075838843 388575958 /nfs/dbraw/zinc/57/59/58/388575958.db2.gz KZESYXUKHKOJBX-UHFFFAOYSA-N 0 0 210.145 3.506 10 0 BHAERN CC(C)c1cccc(Br)c1F ZINC000075838846 187278203 /nfs/dbraw/zinc/27/82/03/187278203.db2.gz QWVLPFJLHJNSKK-UHFFFAOYSA-N 0 0 217.081 3.712 10 0 BHAERN CC(C)c1c(F)cccc1Br ZINC000075838848 384341176 /nfs/dbraw/zinc/34/11/76/384341176.db2.gz VVUNXACHKBSQLO-UHFFFAOYSA-N 0 0 217.081 3.712 10 0 BHAERN CC(C)c1c(Br)cnn1C(C)(C)C ZINC000075839234 167551805 /nfs/dbraw/zinc/55/18/05/167551805.db2.gz WVBHQYVSTUQAOC-UHFFFAOYSA-N 0 0 245.164 3.524 10 0 BHAERN C[C@@H](c1ccc(O)c(Cl)c1)C(F)(F)F ZINC000075839602 176015332 /nfs/dbraw/zinc/01/53/32/176015332.db2.gz FXEZIMHUIRUPBT-YFKPBYRVSA-N 0 0 224.609 3.711 10 0 BHAERN C[C@H](c1ccc(O)c(Cl)c1)C(F)(F)F ZINC000075839605 177034986 /nfs/dbraw/zinc/03/49/86/177034986.db2.gz FXEZIMHUIRUPBT-RXMQYKEDSA-N 0 0 224.609 3.711 10 0 BHAERN C[C@@H](c1ccc2c(ccn2C)c1)C(F)(F)F ZINC000075839625 176017009 /nfs/dbraw/zinc/01/70/09/176017009.db2.gz JUBYMVIUACKHND-QMMMGPOBSA-N 0 0 227.229 3.844 10 0 BHAERN C[C@H](c1ccc2c(ccn2C)c1)C(F)(F)F ZINC000075839627 177035433 /nfs/dbraw/zinc/03/54/33/177035433.db2.gz JUBYMVIUACKHND-MRVPVSSYSA-N 0 0 227.229 3.844 10 0 BHAERN c1cc(C2CCCCC2)cc2c1NCC2 ZINC000075841164 537932657 /nfs/dbraw/zinc/93/26/57/537932657.db2.gz VYERMWZEPAFBFM-UHFFFAOYSA-N 0 0 201.313 3.702 10 0 BHAERN c1cc2nc(C3CCCCC3)sc2cn1 ZINC000075841330 183377253 /nfs/dbraw/zinc/37/72/53/183377253.db2.gz QRIDCZTZXRVTEE-UHFFFAOYSA-N 0 0 218.325 3.739 10 0 BHAERN Cc1cnc([C@@H](C)c2ccccc2)s1 ZINC000075842033 179649505 /nfs/dbraw/zinc/64/95/05/179649505.db2.gz PDOCDEINTXWWKY-JTQLQIEISA-N 0 0 203.310 3.603 10 0 BHAERN C[C@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000075842120 176023753 /nfs/dbraw/zinc/02/37/53/176023753.db2.gz CEVOTGYFOPLJNV-NSHDSACASA-N 0 0 222.291 3.715 10 0 BHAERN C[C@@H](c1nc2ccccc2[nH]1)c1ccccc1 ZINC000075842123 187242097 /nfs/dbraw/zinc/24/20/97/187242097.db2.gz CEVOTGYFOPLJNV-LLVKDONJSA-N 0 0 222.291 3.715 10 0 BHAERN C[C@H](c1nc2ccc(N)cc2o1)c1ccccc1 ZINC000075842372 176023498 /nfs/dbraw/zinc/02/34/98/176023498.db2.gz ILLFOPCIRMRJLK-JTQLQIEISA-N 0 0 238.290 3.562 10 0 BHAERN C[C@@H](c1nc2ccc(N)cc2o1)c1ccccc1 ZINC000075842374 187278253 /nfs/dbraw/zinc/27/82/53/187278253.db2.gz ILLFOPCIRMRJLK-SNVBAGLBSA-N 0 0 238.290 3.562 10 0 BHAERN C[C@H](c1nc2cc(N)ccc2o1)c1ccccc1 ZINC000075842375 176024065 /nfs/dbraw/zinc/02/40/65/176024065.db2.gz VSOYCPQSLUQOJZ-JTQLQIEISA-N 0 0 238.290 3.562 10 0 BHAERN Cc1ccc(F)c(Br)c1Cl ZINC000075842495 187963082 /nfs/dbraw/zinc/96/30/82/187963082.db2.gz UTIUEWJGHTYLGC-UHFFFAOYSA-N 0 0 223.472 3.550 10 0 BHAERN Cc1cc(OC(C)(C)C)ccc1Br ZINC000075842507 178206718 /nfs/dbraw/zinc/20/67/18/178206718.db2.gz HTYXVYWAINPBKD-UHFFFAOYSA-N 0 0 243.144 3.935 10 0 BHAERN Brc1nc2c(ccc3ccccc23)o1 ZINC000075842705 188308356 /nfs/dbraw/zinc/30/83/56/188308356.db2.gz HFUCGCGGMOXCIG-UHFFFAOYSA-N 0 0 248.079 3.744 10 0 BHAERN COc1c(Br)c(C)ccc1C(C)C ZINC000075843600 174919557 /nfs/dbraw/zinc/91/95/57/174919557.db2.gz VPIVLJQALIDGMH-UHFFFAOYSA-N 0 0 243.144 3.890 10 0 BHAERN CC(C)[C@@H](O)c1cccc(C(F)(F)F)c1F ZINC000075853392 167461164 /nfs/dbraw/zinc/46/11/64/167461164.db2.gz VGBPGVZGDFQCBE-SNVBAGLBSA-N 0 0 236.208 3.534 10 0 BHAERN CC(C)[C@H](O)c1cc(C(F)(F)F)ccc1F ZINC000075853393 187278208 /nfs/dbraw/zinc/27/82/08/187278208.db2.gz BNVKLFQDSPFSEO-JTQLQIEISA-N 0 0 236.208 3.534 10 0 BHAERN CC(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000075853480 398228825 /nfs/dbraw/zinc/22/88/25/398228825.db2.gz YYSUKKXLINORJZ-JTQLQIEISA-N 0 0 219.111 3.683 10 0 BHAERN CC(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000075853481 398228653 /nfs/dbraw/zinc/22/86/53/398228653.db2.gz YYSUKKXLINORJZ-SNVBAGLBSA-N 0 0 219.111 3.683 10 0 BHAERN Clc1cccc([C@@]2(c3ccccc3)CO2)c1 ZINC000075870048 398229657 /nfs/dbraw/zinc/22/96/57/398229657.db2.gz WYGALGXXXYNLQP-AWEZNQCLSA-N 0 0 230.694 3.614 10 0 BHAERN Clc1cccc([C@]2(c3ccccc3)CO2)c1 ZINC000075870049 180591640 /nfs/dbraw/zinc/59/16/40/180591640.db2.gz WYGALGXXXYNLQP-CQSZACIVSA-N 0 0 230.694 3.614 10 0 BHAERN Cc1c(Cl)cccc1[C@H](O)c1ccccc1 ZINC000075870380 177603863 /nfs/dbraw/zinc/60/38/63/177603863.db2.gz CGIWNGZSJLDZRD-CQSZACIVSA-N 0 0 232.710 3.730 10 0 BHAERN Cc1ccc(Cl)cc1[C@H](O)c1ccccc1 ZINC000075870382 178664045 /nfs/dbraw/zinc/66/40/45/178664045.db2.gz LMQYKAPYAOUDKJ-CQSZACIVSA-N 0 0 232.710 3.730 10 0 BHAERN Cc1ccc(Cl)cc1[C@@H](O)c1ccccc1 ZINC000075870383 178664252 /nfs/dbraw/zinc/66/42/52/178664252.db2.gz LMQYKAPYAOUDKJ-AWEZNQCLSA-N 0 0 232.710 3.730 10 0 BHAERN CC(C)(C)c1csc([C@H](O)c2ccccc2)n1 ZINC000075870442 188133598 /nfs/dbraw/zinc/13/35/98/188133598.db2.gz NIULBPGCSQQMPP-GFCCVEGCSA-N 0 0 247.363 3.522 10 0 BHAERN CC(C)c1ccccc1[C@H](O)c1ccccc1 ZINC000075870610 388575768 /nfs/dbraw/zinc/57/57/68/388575768.db2.gz SSVARVPDACTOCY-MRXNPFEDSA-N 0 0 226.319 3.892 10 0 BHAERN CC(C)c1ccccc1[C@@H](O)c1ccccc1 ZINC000075870611 388575532 /nfs/dbraw/zinc/57/55/32/388575532.db2.gz SSVARVPDACTOCY-INIZCTEOSA-N 0 0 226.319 3.892 10 0 BHAERN Cc1cccc(C)c1[C@H](O)c1ccc(F)cc1 ZINC000075871962 179051439 /nfs/dbraw/zinc/05/14/39/179051439.db2.gz HULIAQQSIZUBLP-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1cccc(C)c1[C@@H](O)c1ccc(F)cc1 ZINC000075871963 179049991 /nfs/dbraw/zinc/04/99/91/179049991.db2.gz HULIAQQSIZUBLP-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1cccc(C(=O)c2ccc(F)cc2)c1F ZINC000075872152 179026920 /nfs/dbraw/zinc/02/69/20/179026920.db2.gz FFNBCFYLAFGEQR-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN Cc1cccc(C)c1C(=O)c1ccc(F)cc1 ZINC000075872160 179032968 /nfs/dbraw/zinc/03/29/68/179032968.db2.gz QGHWMBFDQOQTHQ-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN O=C(c1ccc(F)cc1)c1ccc2[nH]ccc2c1 ZINC000075872164 398229207 /nfs/dbraw/zinc/22/92/07/398229207.db2.gz FYYYYKXQRRPYJB-UHFFFAOYSA-N 0 0 239.249 3.538 10 0 BHAERN Cc1cccc(C(=O)c2ccccc2F)c1F ZINC000075872249 179026962 /nfs/dbraw/zinc/02/69/62/179026962.db2.gz GTDANPOQEUKCPL-UHFFFAOYSA-N 0 0 232.229 3.504 10 0 BHAERN Cc1cccc(C)c1C(=O)c1ccccc1F ZINC000075872261 179032655 /nfs/dbraw/zinc/03/26/55/179032655.db2.gz KVVROTRRVDHOJM-UHFFFAOYSA-N 0 0 228.266 3.674 10 0 BHAERN Cc1cccc(C)c1[C@H](O)c1ccccc1F ZINC000075872609 179050542 /nfs/dbraw/zinc/05/05/42/179050542.db2.gz MMDIUQWUYXBHHP-OAHLLOKOSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1cccc(C)c1[C@@H](O)c1ccccc1F ZINC000075872610 179048848 /nfs/dbraw/zinc/04/88/48/179048848.db2.gz MMDIUQWUYXBHHP-HNNXBMFYSA-N 0 0 230.282 3.524 10 0 BHAERN Cc1cccc(-c2ccc(C=O)s2)c1F ZINC000075878382 631281945 /nfs/dbraw/zinc/28/19/45/631281945.db2.gz DCPBDSIJCYPAIT-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN O=Cc1ccc(-c2c(F)cc(F)cc2F)s1 ZINC000075878392 182864046 /nfs/dbraw/zinc/86/40/46/182864046.db2.gz SDPVYKCUXSVOPG-UHFFFAOYSA-N 0 0 242.221 3.645 10 0 BHAERN Cc1cccc(C)c1-c1ccc(C=O)s1 ZINC000075878423 179028624 /nfs/dbraw/zinc/02/86/24/179028624.db2.gz JVHQPBDJHLUILP-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN O=Cc1ccc(-c2cc(Cl)ccc2O)s1 ZINC000075878445 641775817 /nfs/dbraw/zinc/77/58/17/641775817.db2.gz ALEUYYOUYBKSQQ-UHFFFAOYSA-N 0 0 238.695 3.587 10 0 BHAERN Cc1ccc(F)cc1Oc1ccccc1N ZINC000075881728 178692029 /nfs/dbraw/zinc/69/20/29/178692029.db2.gz DAZDCRAMUWHJSM-UHFFFAOYSA-N 0 0 217.243 3.509 10 0 BHAERN Fc1ccc(OCc2ccccc2)c(F)c1F ZINC000075881902 180981313 /nfs/dbraw/zinc/98/13/13/180981313.db2.gz PCEWMCPZCWGCIT-UHFFFAOYSA-N 0 0 238.208 3.683 10 0 BHAERN Fc1c(-c2nccs2)cccc1C(F)(F)F ZINC000075899187 180945714 /nfs/dbraw/zinc/94/57/14/180945714.db2.gz GBCJDTSACVGVQJ-UHFFFAOYSA-N 0 0 247.216 3.968 10 0 BHAERN Cc1cc2c(o1)c(Br)ccc2F ZINC000075926956 178278758 /nfs/dbraw/zinc/27/87/58/178278758.db2.gz CLMKGBLUIWMHBR-UHFFFAOYSA-N 0 0 229.048 3.643 10 0 BHAERN Cc1cc2c(ccc(Br)c2F)o1 ZINC000075926959 178278811 /nfs/dbraw/zinc/27/88/11/178278811.db2.gz ZBBTTZNUSTYTMF-UHFFFAOYSA-N 0 0 229.048 3.643 10 0 BHAERN Cc1cc2c(cc(F)c(F)c2F)s1 ZINC000075926969 178278302 /nfs/dbraw/zinc/27/83/02/178278302.db2.gz NTKJMYSZLSHRLC-UHFFFAOYSA-N 0 0 202.200 3.627 10 0 BHAERN Cc1ccccc1-c1nc2cc(N)ccc2s1 ZINC000075932720 368336602 /nfs/dbraw/zinc/33/66/02/368336602.db2.gz ZZJODTHSYHTBLX-UHFFFAOYSA-N 0 0 240.331 3.854 10 0 BHAERN COc1ccc2c(c1)[nH]c(=S)n2C1CCCC1 ZINC000075952784 175217962 /nfs/dbraw/zinc/21/79/62/175217962.db2.gz AJVGVNRXRVLJNV-UHFFFAOYSA-N 0 0 248.351 3.823 10 0 BHAERN Fc1cccc2[nH]c(=S)n(C3CCCC3)c21 ZINC000075952814 181003416 /nfs/dbraw/zinc/00/34/16/181003416.db2.gz IBXYEPQZXVKHNE-UHFFFAOYSA-N 0 0 236.315 3.953 10 0 BHAERN Fc1cccc2[nH]c(=S)n(-c3ccccc3)c21 ZINC000075953336 181003881 /nfs/dbraw/zinc/00/38/81/181003881.db2.gz RXAVNPBTNYPMHP-UHFFFAOYSA-N 0 0 244.294 3.827 10 0 BHAERN O=Cc1ccc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000075955287 643256826 /nfs/dbraw/zinc/25/68/26/643256826.db2.gz NNXMGSRIXIPNNB-UHFFFAOYSA-N 0 0 239.196 3.513 10 0 BHAERN CCOc1ccc(-c2csc(C=O)c2)cc1 ZINC000076023121 537931491 /nfs/dbraw/zinc/93/14/91/537931491.db2.gz GIDMTOCJQSZWBE-UHFFFAOYSA-N 0 0 232.304 3.626 10 0 BHAERN CCOc1ccc(-c2ccsc2C=O)cc1 ZINC000076023126 537932183 /nfs/dbraw/zinc/93/21/83/537932183.db2.gz ZDQURWFVJLHQSJ-UHFFFAOYSA-N 0 0 232.304 3.626 10 0 BHAERN Cc1ccc(-c2cncc(C=O)c2)cc1Cl ZINC000076026009 537932098 /nfs/dbraw/zinc/93/20/98/537932098.db2.gz OYZHRNFHKQNIAS-UHFFFAOYSA-N 0 0 231.682 3.523 10 0 BHAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccccc1C(C)(C)C ZINC000076033231 176402413 /nfs/dbraw/zinc/40/24/13/176402413.db2.gz QJZRCXYJILXSFM-MFKMUULPSA-N 0 0 246.354 3.514 10 0 BHAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccccc1C(C)(C)C ZINC000076033232 177348021 /nfs/dbraw/zinc/34/80/21/177348021.db2.gz QJZRCXYJILXSFM-GWCFXTLKSA-N 0 0 246.354 3.514 10 0 BHAERN C[C@H]1C[C@H]1NC(=O)Nc1ccccc1C(C)(C)C ZINC000076033234 177383950 /nfs/dbraw/zinc/38/39/50/177383950.db2.gz QJZRCXYJILXSFM-GXFFZTMASA-N 0 0 246.354 3.514 10 0 BHAERN CC(C)(C)c1ccc(-c2ccc(C=O)[nH]2)cc1 ZINC000076070722 641791148 /nfs/dbraw/zinc/79/11/48/641791148.db2.gz UHJUACNAUGDQDK-UHFFFAOYSA-N 0 0 227.307 3.792 10 0 BHAERN Cc1nc2cccc(Cl)c2n1C(C)C ZINC000076210218 180100663 /nfs/dbraw/zinc/10/06/63/180100663.db2.gz RUMMGFLVFMFIPV-UHFFFAOYSA-N 0 0 208.692 3.579 10 0 BHAERN Cc1nc2cccc(C)c2n1-c1ccccc1 ZINC000076210699 179229206 /nfs/dbraw/zinc/22/92/06/179229206.db2.gz BDRFIFZITJTSER-UHFFFAOYSA-N 0 0 222.291 3.642 10 0 BHAERN Cc1nc2ccc(C)cc2n1-c1ccccc1 ZINC000076210702 384120842 /nfs/dbraw/zinc/12/08/42/384120842.db2.gz DCBIIPCADZFYFR-UHFFFAOYSA-N 0 0 222.291 3.642 10 0 BHAERN Cc1nc2cc(C)cc(C)c2n1-c1ccccc1 ZINC000076210715 177883839 /nfs/dbraw/zinc/88/38/39/177883839.db2.gz YGIYVNIZKGZOLE-UHFFFAOYSA-N 0 0 236.318 3.951 10 0 BHAERN Cc1nc2cccc(Cl)c2n1-c1ccccc1 ZINC000076210743 180099700 /nfs/dbraw/zinc/09/97/00/180099700.db2.gz OMWQKUVQGVPVDX-UHFFFAOYSA-N 0 0 242.709 3.987 10 0 BHAERN Cc1nc2c(cccc2C)n1-c1ccccc1 ZINC000076210901 179225498 /nfs/dbraw/zinc/22/54/98/179225498.db2.gz LTNDNQPIKQHBLD-UHFFFAOYSA-N 0 0 222.291 3.642 10 0 BHAERN CC(C)(C)c1cccc2[nH]c(C(F)(F)F)nc21 ZINC000076214020 187279614 /nfs/dbraw/zinc/27/96/14/187279614.db2.gz RWDBNAMZWZIYAI-UHFFFAOYSA-N 0 0 242.244 3.879 10 0 BHAERN Cc1cccc(NCCCc2ccco2)c1 ZINC000076276398 179143929 /nfs/dbraw/zinc/14/39/29/179143929.db2.gz KMYVTWQIAMPPJR-UHFFFAOYSA-N 0 0 215.296 3.633 10 0 BHAERN CCC(=O)[C@@H](C)Cc1ccc(Cl)s1 ZINC000076646015 168250957 /nfs/dbraw/zinc/25/09/57/168250957.db2.gz AWZKYRPIELYAIJ-ZETCQYMHSA-N 0 0 216.733 3.559 10 0 BHAERN CCC(=O)[C@H](C)Cc1ccc(Cl)s1 ZINC000076646018 168253024 /nfs/dbraw/zinc/25/30/24/168253024.db2.gz AWZKYRPIELYAIJ-SSDOTTSWSA-N 0 0 216.733 3.559 10 0 BHAERN Cn1cc(Cl)c2ccc(Br)cc21 ZINC000076689405 388669137 /nfs/dbraw/zinc/66/91/37/388669137.db2.gz YMXZDQJNJUWSNZ-UHFFFAOYSA-N 0 0 244.519 3.594 10 0 BHAERN Clc1cccc(Cl)c1N[C@H]1CCCOC1 ZINC000076690302 180591466 /nfs/dbraw/zinc/59/14/66/180591466.db2.gz PEUJODKYSBGHLV-QMMMGPOBSA-N 0 0 246.137 3.584 10 0 BHAERN Cc1cc2c(cc1C)NC1(CCCCC1)CN2 ZINC000076861142 178284989 /nfs/dbraw/zinc/28/49/89/178284989.db2.gz DXRAOZAYBAGFSK-UHFFFAOYSA-N 0 0 230.355 3.844 10 0 BHAERN CC1CCC2(CC1)CNc1ccc(F)cc1N2 ZINC000076861307 168170006 /nfs/dbraw/zinc/17/00/06/168170006.db2.gz RGKZWFMWOXWVQR-UHFFFAOYSA-N 0 0 234.318 3.612 10 0 BHAERN Clc1ccc2c(c1)N[C@@H](c1ccccc1)CN2 ZINC000076887702 180587458 /nfs/dbraw/zinc/58/74/58/180587458.db2.gz IICONDBTUFBCFX-CQSZACIVSA-N 0 0 244.725 3.919 10 0 BHAERN CCCN1CCNc2cc(Cl)c(Cl)cc21 ZINC000076895724 132309266 /nfs/dbraw/zinc/30/92/66/132309266.db2.gz NICQVTMCGUBYCA-UHFFFAOYSA-N 0 0 245.153 3.635 10 0 BHAERN CC(C)N1CCNc2cc(Cl)c(Cl)cc21 ZINC000076895741 132309329 /nfs/dbraw/zinc/30/93/29/132309329.db2.gz KPKCGMGVMNJTNJ-UHFFFAOYSA-N 0 0 245.153 3.634 10 0 BHAERN C[C@H]1CN(Cc2ccccc2)c2ccccc2N1 ZINC000076927123 132405442 /nfs/dbraw/zinc/40/54/42/132405442.db2.gz PBXLUJJGFUQOLS-ZDUSSCGKSA-N 0 0 238.334 3.507 10 0 BHAERN CC[C@@H]1CNc2cc(Cl)c(Cl)cc2N1C ZINC000076936328 132309619 /nfs/dbraw/zinc/30/96/19/132309619.db2.gz PNGQXLZNVABEEF-SSDOTTSWSA-N 0 0 245.153 3.634 10 0 BHAERN CC(C)(C)c1cc(C=O)c(C(C)(C)C)o1 ZINC000077084538 566283656 /nfs/dbraw/zinc/28/36/56/566283656.db2.gz RFSCAFUMCJAINE-UHFFFAOYSA-N 0 0 208.301 3.687 10 0 BHAERN CCc1ccc([C@@H](C)Nc2nnc(C)s2)cc1 ZINC000077165548 387892309 /nfs/dbraw/zinc/89/23/09/387892309.db2.gz UCXNCHHQRHJNOV-SECBINFHSA-N 0 0 247.367 3.582 10 0 BHAERN CCc1ccc([C@H](C)Nc2nnc(C)s2)cc1 ZINC000077165549 387893764 /nfs/dbraw/zinc/89/37/64/387893764.db2.gz UCXNCHHQRHJNOV-VIFPVBQESA-N 0 0 247.367 3.582 10 0 BHAERN O=Cc1cc2ccccc2c(-c2ccccc2)n1 ZINC000077256171 385874703 /nfs/dbraw/zinc/87/47/03/385874703.db2.gz BDWFISNTZBGUBB-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN C=Cc1ccc(Br)cc1Cl ZINC000077284800 188135534 /nfs/dbraw/zinc/13/55/34/188135534.db2.gz XTTULBAZGVTKMB-UHFFFAOYSA-N 0 0 217.493 3.746 10 0 in-vitro BHAERN COCCCCC(=O)c1ccc(C(F)F)cc1 ZINC000077287130 174175286 /nfs/dbraw/zinc/17/52/86/174175286.db2.gz FWTUJBVMQULWOB-UHFFFAOYSA-N 0 0 242.265 3.624 10 0 in-vitro BHAERN CC(C)Nc1ccc2c(c1)CCCS2 ZINC000077301057 167148320 /nfs/dbraw/zinc/14/83/20/167148320.db2.gz AEWNJQMTRMRWBA-UHFFFAOYSA-N 0 0 207.342 3.545 10 0 BHAERN CCC[C@H](OC)c1cc2ccccc2o1 ZINC000077302260 385364977 /nfs/dbraw/zinc/36/49/77/385364977.db2.gz ROCXUCLTLDKZTH-LBPRGKRZSA-N 0 0 204.269 3.920 10 0 in-vitro BHAERN CCC[C@@H](OC)c1cc2ccccc2o1 ZINC000077302262 388674651 /nfs/dbraw/zinc/67/46/51/388674651.db2.gz ROCXUCLTLDKZTH-GFCCVEGCSA-N 0 0 204.269 3.920 10 0 in-vitro BHAERN COc1cccc(/C=C/c2cccc(C)n2)c1 ZINC000077303107 175240312 /nfs/dbraw/zinc/24/03/12/175240312.db2.gz PKLPQOYRNKZJOV-MDZDMXLPSA-N 0 0 225.291 3.569 10 0 in-vitro BHAERN Cc1cc(C)c([C@@H]2CCCC(=O)C2)cc1C ZINC000077308495 177872820 /nfs/dbraw/zinc/87/28/20/177872820.db2.gz LHKIQBVFSAEVHL-CYBMUJFWSA-N 0 0 216.324 3.839 10 0 BHAERN Cc1cc(C)c([C@H]2CCCC(=O)C2)cc1C ZINC000077308497 177875403 /nfs/dbraw/zinc/87/54/03/177875403.db2.gz LHKIQBVFSAEVHL-ZDUSSCGKSA-N 0 0 216.324 3.839 10 0 BHAERN CNc1ccc(Oc2ccc(F)cc2)cc1 ZINC000077324653 386291072 /nfs/dbraw/zinc/29/10/72/386291072.db2.gz ALPWKPUEPWFPBB-UHFFFAOYSA-N 0 0 217.243 3.660 10 0 BHAERN Cc1ccc([C@@H]2CCCC(=O)C2)cc1Cl ZINC000077334798 178870466 /nfs/dbraw/zinc/87/04/66/178870466.db2.gz HBOIXDVMNFETJN-SNVBAGLBSA-N 0 0 222.715 3.875 10 0 BHAERN O=C1CC[C@H](c2ccc(Cl)cc2Cl)C1 ZINC000077342956 182753961 /nfs/dbraw/zinc/75/39/61/182753961.db2.gz IHAZBUQWPGLWFC-ZETCQYMHSA-N 0 0 229.106 3.830 10 0 BHAERN CCCOc1ccc([C@@H]2CCCC(=O)C2)cc1 ZINC000077363683 169321475 /nfs/dbraw/zinc/32/14/75/169321475.db2.gz FGPRPSVKVUUKEZ-CYBMUJFWSA-N 0 0 232.323 3.702 10 0 BHAERN CCCOc1ccc([C@H]2CCCC(=O)C2)cc1 ZINC000077363685 169322446 /nfs/dbraw/zinc/32/24/46/169322446.db2.gz FGPRPSVKVUUKEZ-ZDUSSCGKSA-N 0 0 232.323 3.702 10 0 BHAERN COc1cc(C)cc(C)c1[C@@H]1CCCC(=O)C1 ZINC000077363713 188135090 /nfs/dbraw/zinc/13/50/90/188135090.db2.gz KYOBVUXONYWODO-GFCCVEGCSA-N 0 0 232.323 3.539 10 0 BHAERN COc1cc(C)cc(C)c1[C@H]1CCCC(=O)C1 ZINC000077363715 174965001 /nfs/dbraw/zinc/96/50/01/174965001.db2.gz KYOBVUXONYWODO-LBPRGKRZSA-N 0 0 232.323 3.539 10 0 BHAERN Cc1cc(Oc2ccccc2C(C)C)ncc1N ZINC000077390663 178215350 /nfs/dbraw/zinc/21/53/50/178215350.db2.gz HNDQSJCBMZKSDB-UHFFFAOYSA-N 0 0 242.322 3.888 10 0 BHAERN O=C(O[C@H]1CCCc2ccccc21)C1CC=CC1 ZINC000077651413 641870870 /nfs/dbraw/zinc/87/08/70/641870870.db2.gz OIXBDUSNYHQCCW-HNNXBMFYSA-N 0 0 242.318 3.573 10 0 BHAERN O=C(O[C@@H]1CCCc2ccccc21)C1CC=CC1 ZINC000077651414 641870803 /nfs/dbraw/zinc/87/08/03/641870803.db2.gz OIXBDUSNYHQCCW-OAHLLOKOSA-N 0 0 242.318 3.573 10 0 BHAERN COc1ccccc1CC1CCCCC1 ZINC000077904081 368298642 /nfs/dbraw/zinc/29/86/42/368298642.db2.gz QBUWFARJLZGFSJ-UHFFFAOYSA-N 0 0 204.313 3.818 10 0 BHAERN CCCCc1c[nH]c2ccc(C(=O)OCC)cc12 ZINC000077921775 368298838 /nfs/dbraw/zinc/29/88/38/368298838.db2.gz BFHYULOKBQUDIY-UHFFFAOYSA-N 0 0 245.322 3.687 10 0 BHAERN CC[C@H](OC(=O)C1CC=CC1)c1ccc(F)cc1 ZINC000077942217 641891220 /nfs/dbraw/zinc/89/12/20/641891220.db2.gz JMAVSWLKOGUROT-AWEZNQCLSA-N 0 0 248.297 3.786 10 0 BHAERN CC[C@@H](OC(=O)C1CC=CC1)c1ccc(F)cc1 ZINC000077942218 641892298 /nfs/dbraw/zinc/89/22/98/641892298.db2.gz JMAVSWLKOGUROT-CQSZACIVSA-N 0 0 248.297 3.786 10 0 BHAERN CCCC[C@@H](CC)COCC1(CC)COC1 ZINC000077946073 344084158 /nfs/dbraw/zinc/08/41/58/344084158.db2.gz BIDWUUDRRVHZLQ-CYBMUJFWSA-N 0 0 228.376 3.646 10 0 BHAERN CCCC[C@H](CC)COCC1(CC)COC1 ZINC000077946074 344084243 /nfs/dbraw/zinc/08/42/43/344084243.db2.gz BIDWUUDRRVHZLQ-ZDUSSCGKSA-N 0 0 228.376 3.646 10 0 BHAERN CC[C@H]1CC[C@H](Nc2cccc(COC)c2)C1 ZINC000078005428 325401343 /nfs/dbraw/zinc/40/13/43/325401343.db2.gz HOJBNHMKTYUYFG-WFASDCNBSA-N 0 0 233.355 3.824 10 0 BHAERN CC[C@H]1CC[C@@H](Nc2cccc(COC)c2)C1 ZINC000078005431 325401340 /nfs/dbraw/zinc/40/13/40/325401340.db2.gz HOJBNHMKTYUYFG-SWLSCSKDSA-N 0 0 233.355 3.824 10 0 BHAERN CC(C)[C@@H](C)NC(=O)CC/C=C/c1ccccc1 ZINC000078032440 167371213 /nfs/dbraw/zinc/37/12/13/167371213.db2.gz JLPATMDTPUAEEI-DPQIITEBSA-N 0 0 245.366 3.641 10 0 BHAERN CC(C)[C@H](C)NC(=O)CC/C=C/c1ccccc1 ZINC000078032441 384430058 /nfs/dbraw/zinc/43/00/58/384430058.db2.gz JLPATMDTPUAEEI-OIOXUXFSSA-N 0 0 245.366 3.641 10 0 BHAERN c1c[nH]c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000078040956 384429118 /nfs/dbraw/zinc/42/91/18/384429118.db2.gz GQMMHHKVMNTAFD-UHFFFAOYSA-N 0 0 236.274 3.869 10 0 BHAERN FC(F)(F)Cc1ccccc1CC(F)(F)F ZINC000078205556 180886177 /nfs/dbraw/zinc/88/61/77/180886177.db2.gz XWNHHUGNOZCZHO-UHFFFAOYSA-N 0 0 242.162 3.896 10 0 BHAERN Oc1cc(Cl)cc(Oc2ccccc2)c1 ZINC000078231272 183258478 /nfs/dbraw/zinc/25/84/78/183258478.db2.gz FRZDBARVMIGNGI-UHFFFAOYSA-N 0 0 220.655 3.838 10 0 BHAERN CCC1CCC(NC(=O)CC(C)(C)C)CC1 ZINC000078233533 325410971 /nfs/dbraw/zinc/41/09/71/325410971.db2.gz IMTKDHIAYWRXDI-UHFFFAOYSA-N 0 0 225.376 3.508 10 0 BHAERN Clc1cccnc1N[C@H]1CCc2ccccc21 ZINC000078261971 344838865 /nfs/dbraw/zinc/83/88/65/344838865.db2.gz IUYFFOOXXMPLOR-ZDUSSCGKSA-N 0 0 244.725 3.834 10 0 BHAERN Clc1cccnc1N[C@@H]1CCc2ccccc21 ZINC000078261974 344838749 /nfs/dbraw/zinc/83/87/49/344838749.db2.gz IUYFFOOXXMPLOR-CYBMUJFWSA-N 0 0 244.725 3.834 10 0 BHAERN N#Cc1cc(Cl)ccc1-c1ccccc1 ZINC000078373547 368368189 /nfs/dbraw/zinc/36/81/89/368368189.db2.gz CLJZUMXTHGAZOX-UHFFFAOYSA-N 0 0 213.667 3.879 10 0 BHAERN CC1=CC(C)(C)Nc2c(Cl)cccc21 ZINC000078377701 168092473 /nfs/dbraw/zinc/09/24/73/168092473.db2.gz OMWKZDJMMWLMNQ-UHFFFAOYSA-N 0 0 207.704 3.947 10 0 BHAERN COc1ccc2oc(C(=O)C(C)(C)C)cc2c1 ZINC000078429906 175231156 /nfs/dbraw/zinc/23/11/56/175231156.db2.gz FZVJQCXKLQPWHA-UHFFFAOYSA-N 0 0 232.279 3.670 10 0 BHAERN Clc1cc(C(Cl)(Cl)Cl)ccn1 ZINC000078521192 180574665 /nfs/dbraw/zinc/57/46/65/180574665.db2.gz OZWGAPIBLKKBIG-UHFFFAOYSA-N 0 0 230.909 3.562 10 0 BHAERN CC(C)CCO[PH](=O)OCCC(C)C ZINC000078763605 368434985 /nfs/dbraw/zinc/43/49/85/368434985.db2.gz BNHOBWYIWAOTLS-UHFFFAOYSA-N 0 0 222.265 3.502 10 0 BHAERN c1ccc2c(c1)CC[C@@H](C1CCCCC1)N2 ZINC000079017124 368462442 /nfs/dbraw/zinc/46/24/42/368462442.db2.gz NWKAUHWCWIGFTB-HNNXBMFYSA-N 0 0 215.340 3.994 10 0 BHAERN c1ccc2c(c1)CC[C@H](C1CCCCC1)N2 ZINC000079017130 368462475 /nfs/dbraw/zinc/46/24/75/368462475.db2.gz NWKAUHWCWIGFTB-OAHLLOKOSA-N 0 0 215.340 3.994 10 0 BHAERN CCc1csc(N[C@H]2CCc3ccccc32)n1 ZINC000079039501 344934792 /nfs/dbraw/zinc/93/47/92/344934792.db2.gz NQLOFWVGIGFEIB-ZDUSSCGKSA-N 0 0 244.363 3.805 10 0 BHAERN Cc1cc2ccc(Cl)nc2cc1Cl ZINC000079061976 178297040 /nfs/dbraw/zinc/29/70/40/178297040.db2.gz CBJYWPUOVUSAFY-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Fc1ccc(-c2ccccc2)c(F)c1F ZINC000079272815 349893258 /nfs/dbraw/zinc/89/32/58/349893258.db2.gz QFJXEGDEAHXTDK-UHFFFAOYSA-N 0 0 208.182 3.771 10 0 BHAERN CCc1ccc([C@H](C)NC(=O)CC2CCC2)cc1 ZINC000079295078 388529111 /nfs/dbraw/zinc/52/91/11/388529111.db2.gz CYHMNIWKEZYYMZ-LBPRGKRZSA-N 0 0 245.366 3.616 10 0 BHAERN COc1ccccc1-c1c(F)cccc1F ZINC000079368574 350584972 /nfs/dbraw/zinc/58/49/72/350584972.db2.gz FIXYOUNSZSEMSF-UHFFFAOYSA-N 0 0 220.218 3.640 10 0 BHAERN OCc1ccc(-c2ccc3ccccc3c2)cc1 ZINC000079387362 183161601 /nfs/dbraw/zinc/16/16/01/183161601.db2.gz RESJDADNTJFQNG-UHFFFAOYSA-N 0 0 234.298 3.999 10 0 BHAERN OCc1ccc(-c2cccc3ccccc32)cc1 ZINC000079387382 183164145 /nfs/dbraw/zinc/16/41/45/183164145.db2.gz YSAZPKMUODEQQM-UHFFFAOYSA-N 0 0 234.298 3.999 10 0 BHAERN CC(C)[C@@H](C)NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000079411600 370653770 /nfs/dbraw/zinc/65/37/70/370653770.db2.gz NNNHONXZFUYMNF-UKRRQHHQSA-N 0 0 247.382 3.587 10 0 BHAERN CC(C)[C@@H](C(=O)N[C@@H](C)C(C)C)c1ccccc1 ZINC000079411607 370653918 /nfs/dbraw/zinc/65/39/18/370653918.db2.gz NNNHONXZFUYMNF-DZGCQCFKSA-N 0 0 247.382 3.587 10 0 BHAERN O=[N+]([O-])c1c(Cl)cccc1-c1ccccc1 ZINC000079844215 363587465 /nfs/dbraw/zinc/58/74/65/363587465.db2.gz QIFZRTGHATXWQI-UHFFFAOYSA-N 0 0 233.654 3.915 10 0 BHAERN C=C/C(Br)=C/c1ccccc1 ZINC000079848291 363587868 /nfs/dbraw/zinc/58/78/68/363587868.db2.gz VJMOOTICXBTMJS-NTMALXAHSA-N 0 0 209.086 3.608 10 0 BHAERN Oc1ccc(-c2cc(-c3cccs3)n[nH]2)cc1 ZINC000080017486 364019872 /nfs/dbraw/zinc/01/98/72/364019872.db2.gz PNTKNNYYHSEGPT-UHFFFAOYSA-N 0 0 242.303 3.511 10 0 BHAERN CSc1ccc(Br)c(C)c1C ZINC000080086315 344238440 /nfs/dbraw/zinc/23/84/40/344238440.db2.gz BKSDMXBOYOULTG-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN COc1ccc([C@@H]2CCNc3ccccc32)cc1 ZINC000080102086 370726102 /nfs/dbraw/zinc/72/61/02/370726102.db2.gz NDITXSQXKLJSOP-AWEZNQCLSA-N 0 0 239.318 3.643 10 0 BHAERN COc1ccc([C@H]2CCNc3ccccc32)cc1 ZINC000080102089 370725887 /nfs/dbraw/zinc/72/58/87/370725887.db2.gz NDITXSQXKLJSOP-CQSZACIVSA-N 0 0 239.318 3.643 10 0 BHAERN O=C1CCCc2ccc(Cc3ccccc3)cc21 ZINC000080182488 384534398 /nfs/dbraw/zinc/53/43/98/384534398.db2.gz COMXDBHMROJOBV-UHFFFAOYSA-N 0 0 236.314 3.796 10 0 BHAERN C/C=C(/C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000080260998 644243744 /nfs/dbraw/zinc/24/37/44/644243744.db2.gz OPGFZDITWWJNLL-NZGHECTNSA-N 0 0 243.759 3.545 10 0 BHAERN C/C=C(/C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000080261005 643900640 /nfs/dbraw/zinc/90/06/40/643900640.db2.gz OPGFZDITWWJNLL-RBMBQVQZSA-N 0 0 243.759 3.545 10 0 BHAERN CCCCc1nc(Cl)c2ccccc2n1 ZINC000080340810 633093237 /nfs/dbraw/zinc/09/32/37/633093237.db2.gz NGFZPNFOQXFKNC-UHFFFAOYSA-N 0 0 220.703 3.626 10 0 BHAERN Cc1ccccc1CNc1ccc(O)cc1C ZINC000080359178 179286068 /nfs/dbraw/zinc/28/60/68/179286068.db2.gz HPQGXEOBQNNMQJ-UHFFFAOYSA-N 0 0 227.307 3.621 10 0 BHAERN CCc1ccc(CNc2ccc(O)cc2C)cc1 ZINC000080359183 171812238 /nfs/dbraw/zinc/81/22/38/171812238.db2.gz BTIVKGTXZKGODV-UHFFFAOYSA-N 0 0 241.334 3.875 10 0 BHAERN Cc1cc(O)ccc1NCCCc1ccccc1 ZINC000080359315 178200326 /nfs/dbraw/zinc/20/03/26/178200326.db2.gz IDKGKMSWNSRFQN-UHFFFAOYSA-N 0 0 241.334 3.745 10 0 BHAERN Cc1cccc(CNc2ccc(O)cc2C)c1C ZINC000080359523 178200691 /nfs/dbraw/zinc/20/06/91/178200691.db2.gz RYISWDFZLZDEDX-UHFFFAOYSA-N 0 0 241.334 3.930 10 0 BHAERN Cc1cc(CNc2ccc(O)cc2C)ccc1F ZINC000080360002 178043741 /nfs/dbraw/zinc/04/37/41/178043741.db2.gz IURMTOFVGHLBDA-UHFFFAOYSA-N 0 0 245.297 3.760 10 0 BHAERN Cc1cc(O)ccc1NCc1cccc(Cl)c1 ZINC000080360164 178200403 /nfs/dbraw/zinc/20/04/03/178200403.db2.gz BTDBERMJKQTVGY-UHFFFAOYSA-N 0 0 247.725 3.966 10 0 BHAERN Cc1cc(O)ccc1NCc1ccccc1Cl ZINC000080360570 178200420 /nfs/dbraw/zinc/20/04/20/178200420.db2.gz SURCVZCKZQGDBB-UHFFFAOYSA-N 0 0 247.725 3.966 10 0 BHAERN Cc1cc(O)ccc1NCc1c(F)cccc1F ZINC000080360584 178200636 /nfs/dbraw/zinc/20/06/36/178200636.db2.gz DNOQLGILVKRXDD-UHFFFAOYSA-N 0 0 249.260 3.591 10 0 BHAERN Cc1cc(O)ccc1NCc1ccc(F)c(F)c1 ZINC000080360588 178200656 /nfs/dbraw/zinc/20/06/56/178200656.db2.gz DTSFOWQNGZRAQQ-UHFFFAOYSA-N 0 0 249.260 3.591 10 0 BHAERN Cc1cc(O)ccc1NC[C@@H](C)c1ccccc1 ZINC000080361543 178200398 /nfs/dbraw/zinc/20/03/98/178200398.db2.gz ZPFUTQQKOUKTPZ-CYBMUJFWSA-N 0 0 241.334 3.916 10 0 BHAERN Cc1cc(O)ccc1NC[C@H](C)c1ccccc1 ZINC000080361545 178200802 /nfs/dbraw/zinc/20/08/02/178200802.db2.gz ZPFUTQQKOUKTPZ-ZDUSSCGKSA-N 0 0 241.334 3.916 10 0 BHAERN Cc1cc(O)ccc1NCc1cc(F)ccc1F ZINC000080362068 178200365 /nfs/dbraw/zinc/20/03/65/178200365.db2.gz NXUSGLXXRGEUAB-UHFFFAOYSA-N 0 0 249.260 3.591 10 0 BHAERN Cc1cc(F)ccc1CNc1ccc(O)cc1C ZINC000080362149 178087089 /nfs/dbraw/zinc/08/70/89/178087089.db2.gz OHDWUJMMTSEZDI-UHFFFAOYSA-N 0 0 245.297 3.760 10 0 BHAERN Cc1cc(O)ccc1NCc1ccc(F)cc1F ZINC000080362209 178200303 /nfs/dbraw/zinc/20/03/03/178200303.db2.gz PIIDJAPUMDRKAV-UHFFFAOYSA-N 0 0 249.260 3.591 10 0 BHAERN CC[C@@H]1CC[C@H](Nc2ccc(NC(C)=O)cc2)C1 ZINC000080425528 325480546 /nfs/dbraw/zinc/48/05/46/325480546.db2.gz TZJHOXRHPRJQCO-DOMZBBRYSA-N 0 0 246.354 3.636 10 0 BHAERN CC[C@@H]1CC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000080426360 325480344 /nfs/dbraw/zinc/48/03/44/325480344.db2.gz RPQACWNZAUWBSR-VXGBXAGGSA-N 0 0 249.354 3.694 10 0 BHAERN CC[C@H]1CC[C@H](Nc2cccc(NC(C)=O)c2)C1 ZINC000080426914 325480446 /nfs/dbraw/zinc/48/04/46/325480446.db2.gz AQBUZEMAYSCMPW-WFASDCNBSA-N 0 0 246.354 3.636 10 0 BHAERN C[C@@H]1CC[C@H](Nc2cccc3cnccc32)C1 ZINC000080432243 388558957 /nfs/dbraw/zinc/55/89/57/388558957.db2.gz UUAHBJPTGMAPQO-YPMHNXCESA-N 0 0 226.323 3.835 10 0 BHAERN C[C@H]1CC[C@H](Nc2cccc3cnccc32)C1 ZINC000080432249 388558183 /nfs/dbraw/zinc/55/81/83/388558183.db2.gz UUAHBJPTGMAPQO-AAEUAGOBSA-N 0 0 226.323 3.835 10 0 BHAERN C[C@@H]1CC[C@@H](Nc2cccc3cnccc32)C1 ZINC000080432253 388558351 /nfs/dbraw/zinc/55/83/51/388558351.db2.gz UUAHBJPTGMAPQO-DGCLKSJQSA-N 0 0 226.323 3.835 10 0 BHAERN C[C@H]1CC[C@@H](Nc2cccc3cnccc32)C1 ZINC000080432260 388558349 /nfs/dbraw/zinc/55/83/49/388558349.db2.gz UUAHBJPTGMAPQO-WCQYABFASA-N 0 0 226.323 3.835 10 0 BHAERN CC[C@@H]1CC[C@H](Nc2ccc3n[nH]cc3c2)C1 ZINC000080433567 325481005 /nfs/dbraw/zinc/48/10/05/325481005.db2.gz AKIFCNCCCLLPAL-PWSUYJOCSA-N 0 0 229.327 3.554 10 0 BHAERN CC[C@H]1CC[C@H](Nc2ccc3n[nH]cc3c2)C1 ZINC000080433575 325480972 /nfs/dbraw/zinc/48/09/72/325480972.db2.gz AKIFCNCCCLLPAL-JQWIXIFHSA-N 0 0 229.327 3.554 10 0 BHAERN CC[C@H]1CC[C@@H](Nc2ccc3n[nH]cc3c2)C1 ZINC000080433589 325480998 /nfs/dbraw/zinc/48/09/98/325480998.db2.gz AKIFCNCCCLLPAL-CMPLNLGQSA-N 0 0 229.327 3.554 10 0 BHAERN CC[C@H]1CC[C@H](Nc2ccccc2N(C)C)C1 ZINC000080453859 325480938 /nfs/dbraw/zinc/48/09/38/325480938.db2.gz YCENDQRXCZVFQD-STQMWFEESA-N 0 0 232.371 3.743 10 0 BHAERN CC[C@@H]1CC[C@@H](Nc2ccccc2N(C)C)C1 ZINC000080453862 325480934 /nfs/dbraw/zinc/48/09/34/325480934.db2.gz YCENDQRXCZVFQD-CHWSQXEVSA-N 0 0 232.371 3.743 10 0 BHAERN CC[C@H]1CC[C@@H](Nc2ccccc2N(C)C)C1 ZINC000080453864 325480957 /nfs/dbraw/zinc/48/09/57/325480957.db2.gz YCENDQRXCZVFQD-QWHCGFSZSA-N 0 0 232.371 3.743 10 0 BHAERN CCCCOc1ccc2cc(C=O)ccc2c1 ZINC000080674107 345750905 /nfs/dbraw/zinc/75/09/05/345750905.db2.gz NJRVCVRLLDLUMS-UHFFFAOYSA-N 0 0 228.291 3.831 10 0 BHAERN Nc1ccc(N2CCCC2)c(-c2ccccc2)c1 ZINC000080821447 345751254 /nfs/dbraw/zinc/75/12/54/345751254.db2.gz SVFWASFDFMUXAB-UHFFFAOYSA-N 0 0 238.334 3.536 10 0 BHAERN CC(=O)c1csc(-c2cc3ccccc3o2)n1 ZINC000080834346 643098451 /nfs/dbraw/zinc/09/84/51/643098451.db2.gz HRTGGLZFBUPXSI-UHFFFAOYSA-N 0 0 243.287 3.759 10 0 BHAERN Clc1cnccc1N1CC[C@H]2CCCC[C@@H]21 ZINC000080972541 345456954 /nfs/dbraw/zinc/45/69/54/345456954.db2.gz FTHZULFDPNPRPX-PWSUYJOCSA-N 0 0 236.746 3.504 10 0 BHAERN CC(C)c1nc([C@@H](C)Nc2ccccn2)cs1 ZINC000081002886 398232646 /nfs/dbraw/zinc/23/26/46/398232646.db2.gz MWJZHZPAXPMRBL-SNVBAGLBSA-N 0 0 247.367 3.835 10 0 BHAERN CC(C)c1nc([C@H](C)Nc2ccccn2)cs1 ZINC000081002889 345459124 /nfs/dbraw/zinc/45/91/24/345459124.db2.gz MWJZHZPAXPMRBL-JTQLQIEISA-N 0 0 247.367 3.835 10 0 BHAERN Fc1ccccc1-c1cc(-c2cccs2)n[nH]1 ZINC000081174681 368579969 /nfs/dbraw/zinc/57/99/69/368579969.db2.gz KBQZWIFZPVWNBF-UHFFFAOYSA-N 0 0 244.294 3.944 10 0 BHAERN Clc1ccc(C2CCOCC2)cc1Cl ZINC000081196409 368379588 /nfs/dbraw/zinc/37/95/88/368379588.db2.gz KSLAMNWZSXYZGN-UHFFFAOYSA-N 0 0 231.122 3.887 10 0 BHAERN c1c[nH]c(-c2nc(-c3ccccc3)cs2)c1 ZINC000081970599 183382515 /nfs/dbraw/zinc/38/25/15/183382515.db2.gz NGKFDGMWOWNTSV-UHFFFAOYSA-N 0 0 226.304 3.805 10 0 BHAERN c1cc2ccc(Oc3ccccc3)cc2[nH]1 ZINC000082002629 368629121 /nfs/dbraw/zinc/62/91/21/368629121.db2.gz CXAXSUDOFWLPIH-UHFFFAOYSA-N 0 0 209.248 3.960 10 0 BHAERN Clc1nsc2cc(Br)ccc12 ZINC000082005842 537970171 /nfs/dbraw/zinc/97/01/71/537970171.db2.gz WTUXIIFLIZPNRS-UHFFFAOYSA-N 0 0 248.532 3.712 10 0 BHAERN Cc1ccc2occ(Br)c2c1 ZINC000082026236 188404528 /nfs/dbraw/zinc/40/45/28/188404528.db2.gz YNSHAXUEWVBDRB-UHFFFAOYSA-N 0 0 211.058 3.504 10 0 BHAERN O=Cc1ccc2c(c1)CC[C@H](C1CCCCC1)O2 ZINC000082058475 345752213 /nfs/dbraw/zinc/75/22/13/345752213.db2.gz FYVNPWDMMTVAKJ-OAHLLOKOSA-N 0 0 244.334 3.773 10 0 BHAERN O=Cc1ccc2c(c1)CC[C@@H](C1CCCCC1)O2 ZINC000082058476 345752066 /nfs/dbraw/zinc/75/20/66/345752066.db2.gz FYVNPWDMMTVAKJ-HNNXBMFYSA-N 0 0 244.334 3.773 10 0 BHAERN O=C1c2ccccc2CCC12CCCCC2 ZINC000082095446 361116943 /nfs/dbraw/zinc/11/69/43/361116943.db2.gz CAIYBPDHKCKHQY-UHFFFAOYSA-N 0 0 214.308 3.766 10 0 BHAERN c1csc(CCCc2cccs2)c1 ZINC000082116330 345752188 /nfs/dbraw/zinc/75/21/88/345752188.db2.gz PUDBKPVCCHVXRB-UHFFFAOYSA-N 0 0 208.351 3.985 10 0 BHAERN CCNc1nnc(-c2ccccc2)c2ccccc21 ZINC000082188808 368649816 /nfs/dbraw/zinc/64/98/16/368649816.db2.gz BIMUVOLFVBXZSD-UHFFFAOYSA-N 0 0 249.317 3.729 10 0 BHAERN Cc1ccc(C2=CCc3ccccc32)cc1 ZINC000082214795 345752061 /nfs/dbraw/zinc/75/20/61/345752061.db2.gz IFXODNKRPYJJOB-UHFFFAOYSA-N 0 0 206.288 3.983 10 0 BHAERN Cc1ccc([C@@H](C)Nc2nccs2)cc1C ZINC000082263223 644362715 /nfs/dbraw/zinc/36/27/15/644362715.db2.gz FRAMSPQMEZSIEO-LLVKDONJSA-N 0 0 232.352 3.933 10 0 BHAERN Cc1ccc([C@H](C)Nc2nccs2)cc1C ZINC000082263226 644363263 /nfs/dbraw/zinc/36/32/63/644363263.db2.gz FRAMSPQMEZSIEO-NSHDSACASA-N 0 0 232.352 3.933 10 0 BHAERN CC(C)(C)OC(=O)Nc1cccc2ncccc21 ZINC000082268997 368661818 /nfs/dbraw/zinc/66/18/18/368661818.db2.gz HGQSCKPEZBLJJO-UHFFFAOYSA-N 0 0 244.294 3.582 10 0 BHAERN CSc1ccc(Oc2ccc(C=O)o2)cc1 ZINC000082300636 188119412 /nfs/dbraw/zinc/11/94/12/188119412.db2.gz CAPSYVFFOQUYJF-UHFFFAOYSA-N 0 0 234.276 3.606 10 0 BHAERN COc1ccc(SCc2ccccc2)c(N)c1 ZINC000082309829 175175193 /nfs/dbraw/zinc/17/51/93/175175193.db2.gz JNEKKLNDCCHPAO-UHFFFAOYSA-N 0 0 245.347 3.570 10 0 BHAERN CC(C)=C(c1cc(Cl)ccc1O)n1ccnc1 ZINC000082312002 188312919 /nfs/dbraw/zinc/31/29/19/188312919.db2.gz GOLWDVRQLOVXPR-UHFFFAOYSA-N 0 0 248.713 3.541 10 0 BHAERN Cc1cccc2sc(Cl)c(C=O)c21 ZINC000082321003 179234082 /nfs/dbraw/zinc/23/40/82/179234082.db2.gz RBSLWUYNVMBCTM-UHFFFAOYSA-N 0 0 210.685 3.676 10 0 BHAERN Cc1cccc2c(C=O)c(Cl)sc21 ZINC000082321005 179208945 /nfs/dbraw/zinc/20/89/45/179208945.db2.gz VBGPXLKZDJWUCH-UHFFFAOYSA-N 0 0 210.685 3.676 10 0 BHAERN O=Cc1c(Cl)sc2cc(F)ccc12 ZINC000082321007 182858899 /nfs/dbraw/zinc/85/88/99/182858899.db2.gz KSZOXWBWKFTDJK-UHFFFAOYSA-N 0 0 214.648 3.506 10 0 BHAERN Brc1ccc(-c2ccco2)s1 ZINC000082321089 166095830 /nfs/dbraw/zinc/09/58/30/166095830.db2.gz OWDOEZLUNHAOTN-UHFFFAOYSA-N 0 0 229.098 3.771 10 0 BHAERN CCc1c(C=O)sc2ccc(Cl)cc21 ZINC000082321968 171742332 /nfs/dbraw/zinc/74/23/32/171742332.db2.gz NJZWMWRUSJMWBY-UHFFFAOYSA-N 0 0 224.712 3.930 10 0 BHAERN Brc1csc(-c2ccccn2)c1 ZINC000082326505 166106894 /nfs/dbraw/zinc/10/68/94/166106894.db2.gz PTTNOIXNKYFOFH-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1csc(-c2cccnc2)c1 ZINC000082326506 166106461 /nfs/dbraw/zinc/10/64/61/166106461.db2.gz OGQAAIZFKWUZGL-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1csc(-c2ccncc2)c1 ZINC000082326507 166105710 /nfs/dbraw/zinc/10/57/10/166105710.db2.gz BKVOCRRQFZXZKR-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN O=C(c1ccc(Cl)cc1)C1CCSCC1 ZINC000082327269 388587129 /nfs/dbraw/zinc/58/71/29/388587129.db2.gz KIUGRMVVEITVPE-UHFFFAOYSA-N 0 0 240.755 3.666 10 0 BHAERN CC(C)(C)c1ccc(-c2cncc(C=O)c2)cc1 ZINC000082328496 384185518 /nfs/dbraw/zinc/18/55/18/384185518.db2.gz BKFBFANGVQDXFX-UHFFFAOYSA-N 0 0 239.318 3.859 10 0 BHAERN CC(C)[C@@H]1Cc2cccc(Br)c2C1 ZINC000082328817 388586856 /nfs/dbraw/zinc/58/68/56/388586856.db2.gz YRGSQMYRAOFMEY-SNVBAGLBSA-N 0 0 239.156 3.820 10 0 BHAERN CC(C)[C@H]1Cc2cccc(Br)c2C1 ZINC000082328818 167506721 /nfs/dbraw/zinc/50/67/21/167506721.db2.gz YRGSQMYRAOFMEY-JTQLQIEISA-N 0 0 239.156 3.820 10 0 BHAERN CC(C)[C@@H]1Cc2ccc(Br)cc2C1 ZINC000082328819 188270188 /nfs/dbraw/zinc/27/01/88/188270188.db2.gz JGCULXBXBWAMPX-SNVBAGLBSA-N 0 0 239.156 3.820 10 0 BHAERN Nc1ccc(-c2ccc(Cl)c(Cl)c2)nc1 ZINC000082328856 181693487 /nfs/dbraw/zinc/69/34/87/181693487.db2.gz XHOXRFHGKYAXNK-UHFFFAOYSA-N 0 0 239.105 3.638 10 0 BHAERN Nc1cccnc1-c1ccc(Cl)c(Cl)c1 ZINC000082328860 188119377 /nfs/dbraw/zinc/11/93/77/188119377.db2.gz QPZTWUNYXPKGIA-UHFFFAOYSA-N 0 0 239.105 3.638 10 0 BHAERN Nc1cccnc1-c1cc(Cl)cc(Cl)c1 ZINC000082328861 188476485 /nfs/dbraw/zinc/47/64/85/188476485.db2.gz CPIIQYBRMPWDIZ-UHFFFAOYSA-N 0 0 239.105 3.638 10 0 BHAERN Nc1cnccc1-c1cc(Cl)cc(Cl)c1 ZINC000082328872 181769493 /nfs/dbraw/zinc/76/94/93/181769493.db2.gz VCMHCXWICVTGBH-UHFFFAOYSA-N 0 0 239.105 3.638 10 0 BHAERN CC[C@@H]1CCCCN1c1cc(Cl)ccc1N ZINC000082328981 132413281 /nfs/dbraw/zinc/41/32/81/132413281.db2.gz BBRDMBGRICTKLR-LLVKDONJSA-N 0 0 238.762 3.691 10 0 BHAERN Cc1cc2c(c(C)c1Cl)C(=O)CC(C)(C)O2 ZINC000082329074 178282268 /nfs/dbraw/zinc/28/22/68/178282268.db2.gz BWFKHZTWTMEJBQ-UHFFFAOYSA-N 0 0 238.714 3.701 10 0 BHAERN Brc1ccc2c(c1)C[C@H](C1CC1)C2 ZINC000082330730 166100310 /nfs/dbraw/zinc/10/03/10/166100310.db2.gz XRISPKBJATYSPM-SNVBAGLBSA-N 0 0 237.140 3.574 10 0 BHAERN Brc1ccc2c(c1)C[C@@H](C1CC1)C2 ZINC000082330731 166099690 /nfs/dbraw/zinc/09/96/90/166099690.db2.gz XRISPKBJATYSPM-JTQLQIEISA-N 0 0 237.140 3.574 10 0 BHAERN Brc1cccc2[nH]c(C3CC3)cc21 ZINC000082331819 166102030 /nfs/dbraw/zinc/10/20/30/166102030.db2.gz ADRMGPNXNCOCAX-UHFFFAOYSA-N 0 0 236.112 3.808 10 0 BHAERN Brc1ccc2cc(C3CC3)[nH]c2c1 ZINC000082331820 166100216 /nfs/dbraw/zinc/10/02/16/166100216.db2.gz JDVNNGYTDOMJJR-UHFFFAOYSA-N 0 0 236.112 3.808 10 0 BHAERN Brc1cccc2cc(C3CC3)[nH]c21 ZINC000082331821 166102049 /nfs/dbraw/zinc/10/20/49/166102049.db2.gz QPTVXKVMKIJKSC-UHFFFAOYSA-N 0 0 236.112 3.808 10 0 BHAERN Brc1c2ccccc2[nH]c1C1CC1 ZINC000082331823 166095822 /nfs/dbraw/zinc/09/58/22/166095822.db2.gz WFNNHMNZZOWUSJ-UHFFFAOYSA-N 0 0 236.112 3.808 10 0 BHAERN Brc1ccc2c(c1)[nH]cc2C1CC1 ZINC000082331824 166100308 /nfs/dbraw/zinc/10/03/08/166100308.db2.gz OZPBFELLDBURGP-UHFFFAOYSA-N 0 0 236.112 3.808 10 0 BHAERN Brc1cccc2c(C3CC3)c[nH]c21 ZINC000082331825 166101288 /nfs/dbraw/zinc/10/12/88/166101288.db2.gz JJVIMXJXVHYUEA-UHFFFAOYSA-N 0 0 236.112 3.808 10 0 BHAERN Brc1cccc2[nH]cc(C3CC3)c21 ZINC000082331826 166102140 /nfs/dbraw/zinc/10/21/40/166102140.db2.gz NBSDKPUJJYWHLG-UHFFFAOYSA-N 0 0 236.112 3.808 10 0 BHAERN Brc1cc2[nH]c3ccccc3c2o1 ZINC000082331840 166095854 /nfs/dbraw/zinc/09/58/54/166095854.db2.gz KYRHBVLTOBXTRV-UHFFFAOYSA-N 0 0 236.068 3.677 10 0 BHAERN COc1cccc(C(=O)C2CCCCCC2)c1 ZINC000082344401 175242119 /nfs/dbraw/zinc/24/21/19/175242119.db2.gz KBNMENYXFFXAPE-UHFFFAOYSA-N 0 0 232.323 3.848 10 0 BHAERN Clc1ccc2c(Br)coc2c1 ZINC000082345172 487750315 /nfs/dbraw/zinc/75/03/15/487750315.db2.gz LFZQZEPSLRZJSA-UHFFFAOYSA-N 0 0 231.476 3.849 10 0 BHAERN Brc1scc2c1CCCCC2 ZINC000082346355 166107921 /nfs/dbraw/zinc/10/79/21/166107921.db2.gz FEHOMHCNLIXBFR-UHFFFAOYSA-N 0 0 231.158 3.780 10 0 BHAERN Cc1c(Br)oc2c1cccc2F ZINC000082349689 177556215 /nfs/dbraw/zinc/55/62/15/177556215.db2.gz ISFOALBDRMPQTI-UHFFFAOYSA-N 0 0 229.048 3.643 10 0 BHAERN Cc1c(Br)oc2cc(F)ccc12 ZINC000082349692 177556821 /nfs/dbraw/zinc/55/68/21/177556821.db2.gz TWGDUVZQSKPRDI-UHFFFAOYSA-N 0 0 229.048 3.643 10 0 BHAERN CC(C)(C)c1ccc(-c2ccnc(N)c2)cc1 ZINC000082359712 188312519 /nfs/dbraw/zinc/31/25/19/188312519.db2.gz XFFDUJPDGMLEFR-UHFFFAOYSA-N 0 0 226.323 3.628 10 0 BHAERN CC(C)(C)c1ccc(-c2ccncc2N)cc1 ZINC000082359714 188494702 /nfs/dbraw/zinc/49/47/02/188494702.db2.gz TVIDMLWZAKVKGE-UHFFFAOYSA-N 0 0 226.323 3.628 10 0 BHAERN CC(C)c1ccc(-c2cncc(C=O)c2)cc1 ZINC000082360656 167580229 /nfs/dbraw/zinc/58/02/29/167580229.db2.gz APAZHLCYBJLAAJ-UHFFFAOYSA-N 0 0 225.291 3.685 10 0 BHAERN CCC1(c2ccc(Br)cc2)CC1 ZINC000082360970 168505730 /nfs/dbraw/zinc/50/57/30/168505730.db2.gz UWZAPOZDQPISJI-UHFFFAOYSA-N 0 0 225.129 3.891 10 0 BHAERN Cc1c(Br)oc2cc(C)ccc12 ZINC000082360998 178938834 /nfs/dbraw/zinc/93/88/34/178938834.db2.gz ULIFLBGGJGFXSM-UHFFFAOYSA-N 0 0 225.085 3.812 10 0 BHAERN CCc1ccc2sc(C=O)c(Cl)c2c1 ZINC000082361113 171852293 /nfs/dbraw/zinc/85/22/93/171852293.db2.gz ZEFPABNVBWQFER-UHFFFAOYSA-N 0 0 224.712 3.930 10 0 BHAERN Cc1c[nH]c2cc(C)c(Br)cc12 ZINC000082361906 178276365 /nfs/dbraw/zinc/27/63/65/178276365.db2.gz JMXZPKDAKOIVDJ-UHFFFAOYSA-N 0 0 224.101 3.547 10 0 BHAERN CC(C)(C)c1ccsc1Br ZINC000082367852 188270518 /nfs/dbraw/zinc/27/05/18/188270518.db2.gz TVGIMPRWBCFGKG-UHFFFAOYSA-N 0 0 219.147 3.808 10 0 BHAERN Brc1cocc1C1CCCC1 ZINC000082370624 166105840 /nfs/dbraw/zinc/10/58/40/166105840.db2.gz CHGWGJLIJVTNTM-UHFFFAOYSA-N 0 0 215.090 3.700 10 0 BHAERN Brc1ccoc1C1CCCC1 ZINC000082370625 166102723 /nfs/dbraw/zinc/10/27/23/166102723.db2.gz RVUSGVBIMNCUGV-UHFFFAOYSA-N 0 0 215.090 3.700 10 0 BHAERN O=Cc1c(Cl)oc2c1cccc2Cl ZINC000082370648 182858830 /nfs/dbraw/zinc/85/88/30/182858830.db2.gz FJXRVXBGBYYOFP-UHFFFAOYSA-N 0 0 215.035 3.552 10 0 BHAERN Cc1cccc2occ(Br)c21 ZINC000082373799 179234801 /nfs/dbraw/zinc/23/48/01/179234801.db2.gz IBMCZRKZZIAYLT-UHFFFAOYSA-N 0 0 211.058 3.504 10 0 BHAERN Cc1cccc2c(Cl)c(C=O)sc21 ZINC000082373859 179210613 /nfs/dbraw/zinc/21/06/13/179210613.db2.gz YVDMGHGSKFAMSV-UHFFFAOYSA-N 0 0 210.685 3.676 10 0 BHAERN CC(=O)c1cc2cc(Cl)cc(C)c2o1 ZINC000082376636 166449779 /nfs/dbraw/zinc/44/97/79/166449779.db2.gz JMDOHPTXIRLVKC-UHFFFAOYSA-N 0 0 208.644 3.597 10 0 BHAERN Cc1ccc(C)c2c(Cl)c(C=O)oc21 ZINC000082376641 178505203 /nfs/dbraw/zinc/50/52/03/178505203.db2.gz YUYNZGXTEPDTGA-UHFFFAOYSA-N 0 0 208.644 3.516 10 0 BHAERN c1ccc2c(c1)NCC[C@H]2C1CCCC1 ZINC000082381994 538036383 /nfs/dbraw/zinc/03/63/83/538036383.db2.gz JLKDQTFNPITXMY-LBPRGKRZSA-N 0 0 201.313 3.776 10 0 BHAERN c1ccc2c(c1)NCC[C@@H]2C1CCCC1 ZINC000082381995 538036395 /nfs/dbraw/zinc/03/63/95/538036395.db2.gz JLKDQTFNPITXMY-GFCCVEGCSA-N 0 0 201.313 3.776 10 0 BHAERN CCc1nc2c(F)cccc2c(Cl)c1C ZINC000082449799 172009658 /nfs/dbraw/zinc/00/96/58/172009658.db2.gz XCQVLGRXDUFGSC-UHFFFAOYSA-N 0 0 223.678 3.898 10 0 BHAERN CCc1nc2ccccc2c(Cl)c1C ZINC000082459069 172013382 /nfs/dbraw/zinc/01/33/82/172013382.db2.gz MHCSKCJYHHSWSR-UHFFFAOYSA-N 0 0 205.688 3.759 10 0 BHAERN Clc1cccc(NCC2CCCCC2)n1 ZINC000082460953 180591131 /nfs/dbraw/zinc/59/11/31/180591131.db2.gz ZTADOSNXWOGVSC-UHFFFAOYSA-N 0 0 224.735 3.727 10 0 BHAERN C[C@H](Nc1cccc(Cl)n1)c1cccs1 ZINC000082460998 643316874 /nfs/dbraw/zinc/31/68/74/643316874.db2.gz ZZQDPMPHTJJNIP-QMMMGPOBSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](Nc1cccc(Cl)n1)c1cccs1 ZINC000082461001 643316523 /nfs/dbraw/zinc/31/65/23/643316523.db2.gz ZZQDPMPHTJJNIP-MRVPVSSYSA-N 0 0 238.743 3.970 10 0 BHAERN CC[C@H](Nc1cccc(Cl)n1)C(C)C ZINC000082461232 643317707 /nfs/dbraw/zinc/31/77/07/643317707.db2.gz VSRMSKVXNRHUKH-VIFPVBQESA-N 0 0 212.724 3.582 10 0 BHAERN CC[C@@H](Nc1cccc(Cl)n1)C(C)C ZINC000082461234 643316845 /nfs/dbraw/zinc/31/68/45/643316845.db2.gz VSRMSKVXNRHUKH-SECBINFHSA-N 0 0 212.724 3.582 10 0 BHAERN CC(C)c1c(Cl)nc(C2CC2)nc1Cl ZINC000082473979 167555489 /nfs/dbraw/zinc/55/54/89/167555489.db2.gz MJPZBTSTMCBYQP-UHFFFAOYSA-N 0 0 231.126 3.784 10 0 BHAERN CC[C@@H](C)c1nc(Cl)c(C)c(Cl)n1 ZINC000082474006 343075043 /nfs/dbraw/zinc/07/50/43/343075043.db2.gz DUQQTKHLLMWBJT-RXMQYKEDSA-N 0 0 219.115 3.605 10 0 BHAERN CC[C@H](C)c1nc(Cl)c(C)c(Cl)n1 ZINC000082474007 343075176 /nfs/dbraw/zinc/07/51/76/343075176.db2.gz DUQQTKHLLMWBJT-YFKPBYRVSA-N 0 0 219.115 3.605 10 0 BHAERN CCc1cc2c(nc(C3CC3)nc2Cl)s1 ZINC000082485582 643322654 /nfs/dbraw/zinc/32/26/54/643322654.db2.gz LFNLKMTVHPWYHS-UHFFFAOYSA-N 0 0 238.743 3.785 10 0 BHAERN CCCc1nc2sc(CC)cc2c(Cl)n1 ZINC000082485586 643321522 /nfs/dbraw/zinc/32/15/22/643321522.db2.gz TUPZAMUVBXBBCG-UHFFFAOYSA-N 0 0 240.759 3.860 10 0 BHAERN Cc1cnc(Cl)nc1NC1CCCCCC1 ZINC000082501534 179618278 /nfs/dbraw/zinc/61/82/78/179618278.db2.gz DRRRWFHBKQDFRR-UHFFFAOYSA-N 0 0 239.750 3.573 10 0 BHAERN CC(C)Nc1cc(-c2ccccc2)nc(Cl)n1 ZINC000082501798 167141733 /nfs/dbraw/zinc/14/17/33/167141733.db2.gz UEDAYTWNJWPYDS-UHFFFAOYSA-N 0 0 247.729 3.617 10 0 BHAERN CSc1ccccc1Oc1ccccc1N ZINC000082504006 362037147 /nfs/dbraw/zinc/03/71/47/362037147.db2.gz DFBIDENCRNQGDA-UHFFFAOYSA-N 0 0 231.320 3.783 10 0 BHAERN CCCCCCNc1cc(Cl)nc(CC)n1 ZINC000082509490 168670087 /nfs/dbraw/zinc/67/00/87/168670087.db2.gz ATNTZGZVWSBFKV-UHFFFAOYSA-N 0 0 241.766 3.685 10 0 BHAERN CC(C)CCNc1cc(Cl)nc(C(C)C)n1 ZINC000082509606 166868313 /nfs/dbraw/zinc/86/83/13/166868313.db2.gz AXOULCCPEBLXMT-UHFFFAOYSA-N 0 0 241.766 3.711 10 0 BHAERN CC[C@@H](C)Nc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509721 170759043 /nfs/dbraw/zinc/75/90/43/170759043.db2.gz UIVJFCOYSDZINT-MRVPVSSYSA-N 0 0 241.766 3.638 10 0 BHAERN CC[C@H](C)Nc1cc(Cl)nc(C(C)(C)C)n1 ZINC000082509722 171349867 /nfs/dbraw/zinc/34/98/67/171349867.db2.gz UIVJFCOYSDZINT-QMMMGPOBSA-N 0 0 241.766 3.638 10 0 BHAERN CCCc1nc(Cl)cc(NCCC(C)C)n1 ZINC000082509800 169591134 /nfs/dbraw/zinc/59/11/34/169591134.db2.gz ZNOSXLLVFITVHW-UHFFFAOYSA-N 0 0 241.766 3.541 10 0 BHAERN Cc1nc(-c2ccc(C(C)C)cc2)ccc1N ZINC000082522176 188138013 /nfs/dbraw/zinc/13/80/13/188138013.db2.gz PLGLJZKTSDKMNP-UHFFFAOYSA-N 0 0 226.323 3.763 10 0 BHAERN CCC(=O)CCc1cc(C)c(C)cc1C ZINC000082532202 168204220 /nfs/dbraw/zinc/20/42/20/168204220.db2.gz YWGQIWLYQMXIDR-UHFFFAOYSA-N 0 0 204.313 3.524 10 0 BHAERN CC1(C)CNc2c1cc(Cl)cc2Cl ZINC000082535176 631405621 /nfs/dbraw/zinc/40/56/21/631405621.db2.gz GGPHSABSGPXGFG-UHFFFAOYSA-N 0 0 216.111 3.697 10 0 BHAERN Cc1onc(N)c1-c1ccc(Cl)cc1Cl ZINC000082550686 180552960 /nfs/dbraw/zinc/55/29/60/180552960.db2.gz PFTNITSEXPLCSG-UHFFFAOYSA-N 0 0 243.093 3.539 10 0 BHAERN Cc1onc(N)c1-c1ccc(Cl)c(Cl)c1 ZINC000082550687 180552764 /nfs/dbraw/zinc/55/27/64/180552764.db2.gz OCYLQGARZNPAEC-UHFFFAOYSA-N 0 0 243.093 3.539 10 0 BHAERN O=Cc1ccc(-c2ccc3c(c2)CCCO3)s1 ZINC000082551490 643341722 /nfs/dbraw/zinc/34/17/22/643341722.db2.gz ROWFISNNSYXOBX-UHFFFAOYSA-N 0 0 244.315 3.553 10 0 BHAERN Nc1ncsc1-c1ccc(Cl)c(Cl)c1 ZINC000082552125 181810532 /nfs/dbraw/zinc/81/05/32/181810532.db2.gz XCRYBBJXXUFMGM-UHFFFAOYSA-N 0 0 245.134 3.699 10 0 BHAERN COc1cc(C)c(-c2ccc(C=O)s2)cc1C ZINC000082553092 643341617 /nfs/dbraw/zinc/34/16/17/643341617.db2.gz QVQBQSDJTNJBQF-UHFFFAOYSA-N 0 0 246.331 3.853 10 0 BHAERN Cc1nc(-c2ccc(CC(C)C)cc2)c(N)s1 ZINC000082553221 179864009 /nfs/dbraw/zinc/86/40/09/179864009.db2.gz RMNXBKPRCXXECS-UHFFFAOYSA-N 0 0 246.379 3.899 10 0 BHAERN Cc1cc(Cl)ccc1Nc1ncc(N)cc1C ZINC000082553838 178068882 /nfs/dbraw/zinc/06/88/82/178068882.db2.gz BXRLRMIMORMPQJ-UHFFFAOYSA-N 0 0 247.729 3.678 10 0 BHAERN CCc1ccccc1Nc1ncc(N)cc1Cl ZINC000082553844 171890290 /nfs/dbraw/zinc/89/02/90/171890290.db2.gz NRHATCUURKGFGS-UHFFFAOYSA-N 0 0 247.729 3.623 10 0 BHAERN CCc1ccc(Nc2ncc(N)cc2Cl)cc1 ZINC000082553845 171822302 /nfs/dbraw/zinc/82/23/02/171822302.db2.gz VSBRKSLXXHOVIL-UHFFFAOYSA-N 0 0 247.729 3.623 10 0 BHAERN CC[C@@H](C)c1nc2sccc2c(Cl)n1 ZINC000082561024 643342152 /nfs/dbraw/zinc/34/21/52/643342152.db2.gz UZWBCUZNRMQDOB-ZCFIWIBFSA-N 0 0 226.732 3.858 10 0 BHAERN CC[C@H](C)c1nc2sccc2c(Cl)n1 ZINC000082561025 643343532 /nfs/dbraw/zinc/34/35/32/643343532.db2.gz UZWBCUZNRMQDOB-LURJTMIESA-N 0 0 226.732 3.858 10 0 BHAERN Cc1ccc(C(C)C)cc1Br ZINC000082595277 384695922 /nfs/dbraw/zinc/69/59/22/384695922.db2.gz SPQXEZCUUYJJQL-UHFFFAOYSA-N 0 0 213.118 3.881 10 0 BHAERN COc1cc(C)cc(C)c1C(=O)CC(C)(C)C ZINC000082605994 188139164 /nfs/dbraw/zinc/13/91/64/188139164.db2.gz YLFJZPQELBBATR-UHFFFAOYSA-N 0 0 234.339 3.931 10 0 BHAERN CCc1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000082608902 643516151 /nfs/dbraw/zinc/51/61/51/643516151.db2.gz YJUVZBCWVATBEP-LLVKDONJSA-N 0 0 249.354 3.835 10 0 BHAERN CCc1ccc([C@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000082608905 643352529 /nfs/dbraw/zinc/35/25/29/643352529.db2.gz YJUVZBCWVATBEP-NSHDSACASA-N 0 0 249.354 3.835 10 0 BHAERN Cc1ccccc1[C@H](C)NC(=O)OC(C)(C)C ZINC000082608910 643353699 /nfs/dbraw/zinc/35/36/99/643353699.db2.gz IPZJGWIBPKGRCO-NSHDSACASA-N 0 0 235.327 3.581 10 0 BHAERN Cc1ccc([C@@H](C)NC(=O)OC(C)(C)C)c(C)c1 ZINC000082610188 643356097 /nfs/dbraw/zinc/35/60/97/643356097.db2.gz LMMAGYDWBLOYAS-GFCCVEGCSA-N 0 0 249.354 3.889 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)OC(C)(C)C)c(C)c1 ZINC000082610190 643355498 /nfs/dbraw/zinc/35/54/98/643355498.db2.gz LMMAGYDWBLOYAS-LBPRGKRZSA-N 0 0 249.354 3.889 10 0 BHAERN C[C@@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC000082610549 384696915 /nfs/dbraw/zinc/69/69/15/384696915.db2.gz GHSGVQKTCAMTDS-LLVKDONJSA-N 0 0 247.338 3.620 10 0 BHAERN C[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC000082610552 384695549 /nfs/dbraw/zinc/69/55/49/384695549.db2.gz GHSGVQKTCAMTDS-NSHDSACASA-N 0 0 247.338 3.620 10 0 BHAERN O=Cc1ccccc1Sc1ccc(F)cc1 ZINC000082612432 368698862 /nfs/dbraw/zinc/69/88/62/368698862.db2.gz BIHUZDQZJYDCKQ-UHFFFAOYSA-N 0 0 232.279 3.789 10 0 BHAERN COc1cc(C)c(Cl)c(C)c1Br ZINC000082613289 174958689 /nfs/dbraw/zinc/95/86/89/174958689.db2.gz HQOPYMUTVCIONG-UHFFFAOYSA-N 0 0 249.535 3.728 10 0 BHAERN C[C@H]1C[C@H](O)c2cc(C(C)(C)C)ccc21 ZINC000082618544 177374415 /nfs/dbraw/zinc/37/44/15/177374415.db2.gz ZSJHYNZIRUYRFC-ZANVPECISA-N 0 0 204.313 3.525 10 0 BHAERN C[C@@H]1C[C@@H](O)c2cc(C(C)(C)C)ccc21 ZINC000082618545 176383498 /nfs/dbraw/zinc/38/34/98/176383498.db2.gz ZSJHYNZIRUYRFC-NOZJJQNGSA-N 0 0 204.313 3.525 10 0 BHAERN C[C@H]1C[C@@H](O)c2cc(C(C)(C)C)ccc21 ZINC000082618546 177338664 /nfs/dbraw/zinc/33/86/64/177338664.db2.gz ZSJHYNZIRUYRFC-TVQRCGJNSA-N 0 0 204.313 3.525 10 0 BHAERN CC[C@H](C)[C@@](C)(O)[C@H]1CCCC[C@H]1CC ZINC000082658058 323940047 /nfs/dbraw/zinc/94/00/47/323940047.db2.gz DZCZZJICMFSFFI-RFQIPJPRSA-N 0 0 212.377 4.000 10 0 BHAERN CC(C)(C)Cc1nc2sccc2c(Cl)n1 ZINC000082673211 643365101 /nfs/dbraw/zinc/36/51/01/643365101.db2.gz CVKGKHKQBWWEID-UHFFFAOYSA-N 0 0 240.759 3.933 10 0 BHAERN CC(=O)Cc1ccc(-c2ccc(C)cc2)cc1 ZINC000082708662 187282696 /nfs/dbraw/zinc/28/26/96/187282696.db2.gz PQYOLNAGCSGTJH-UHFFFAOYSA-N 0 0 224.303 3.794 10 0 BHAERN CC(=O)Cc1ccc(-c2ccccc2C)cc1 ZINC000082708674 188139025 /nfs/dbraw/zinc/13/90/25/188139025.db2.gz CCRFSYYXPNLGPL-UHFFFAOYSA-N 0 0 224.303 3.794 10 0 BHAERN CC(=O)Cc1ccc(-c2cccc(C)c2)cc1 ZINC000082708687 188315135 /nfs/dbraw/zinc/31/51/35/188315135.db2.gz ITJMYNXRHLMDTH-UHFFFAOYSA-N 0 0 224.303 3.794 10 0 BHAERN CC(=O)Cc1ccc(-c2ccccc2F)cc1 ZINC000082708718 187794594 /nfs/dbraw/zinc/79/45/94/187794594.db2.gz ITEHFFDFGQNPNL-UHFFFAOYSA-N 0 0 228.266 3.624 10 0 BHAERN CC(=O)Cc1ccc(-c2cccc(F)c2)cc1 ZINC000082708731 188139832 /nfs/dbraw/zinc/13/98/32/188139832.db2.gz UUHPHJQHDFPGCH-UHFFFAOYSA-N 0 0 228.266 3.624 10 0 BHAERN COc1ccc(-c2cc(C(C)=O)ccc2F)cc1 ZINC000082708755 175030565 /nfs/dbraw/zinc/03/05/65/175030565.db2.gz ACTJEOAGQHCWIT-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN COc1cccc(-c2cc(C(C)=O)ccc2F)c1 ZINC000082708765 175233617 /nfs/dbraw/zinc/23/36/17/175233617.db2.gz NOAUUBFRNQUKQL-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN COc1ccccc1-c1cc(C(C)=O)ccc1F ZINC000082708775 175309435 /nfs/dbraw/zinc/30/94/35/175309435.db2.gz RENBZVWQDUWHFS-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN CC(=O)Cc1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000082708826 188139235 /nfs/dbraw/zinc/13/92/35/188139235.db2.gz XIEYOHFOUOQVSQ-UHFFFAOYSA-N 0 0 246.256 3.763 10 0 BHAERN Cn1ccc2cc(NC3CCCC3)ccc21 ZINC000082711013 643374101 /nfs/dbraw/zinc/37/41/01/643374101.db2.gz RRGKXFRIAVLZAO-UHFFFAOYSA-N 0 0 214.312 3.533 10 0 BHAERN Cn1ccc2cc(NC3CCCCC3)ccc21 ZINC000082711201 644394861 /nfs/dbraw/zinc/39/48/61/644394861.db2.gz VKEPYKKPURDVMH-UHFFFAOYSA-N 0 0 228.339 3.923 10 0 BHAERN Clc1cc(Cl)cc(N2CCCC2)c1 ZINC000082712944 180575276 /nfs/dbraw/zinc/57/52/76/180575276.db2.gz PVWBSMHATJNYSI-UHFFFAOYSA-N 0 0 216.111 3.594 10 0 BHAERN COc1ccc(C(=O)C2CCCCC2)c(C)c1 ZINC000082721880 175052711 /nfs/dbraw/zinc/05/27/11/175052711.db2.gz XKUKFTVQNIGDEE-UHFFFAOYSA-N 0 0 232.323 3.767 10 0 BHAERN CCCCOc1cc(C)c(N)cc1C(C)C ZINC000082723084 168915657 /nfs/dbraw/zinc/91/56/57/168915657.db2.gz BBCGOXPUDPUIMA-UHFFFAOYSA-N 0 0 221.344 3.880 10 0 BHAERN Cc1cc(Cl)c(C(=O)C2CC2)cc1C ZINC000082726258 178059066 /nfs/dbraw/zinc/05/90/66/178059066.db2.gz KUWSCHIXXSQUJM-UHFFFAOYSA-N 0 0 208.688 3.550 10 0 BHAERN COc1ccc2nc(NC3CCCC3)sc2c1 ZINC000082727247 175228849 /nfs/dbraw/zinc/22/88/49/175228849.db2.gz PTWKPFBWFQIFGA-UHFFFAOYSA-N 0 0 248.351 3.659 10 0 BHAERN Cc1cc(N)ncc1-c1ccc2c(c1)CCCC2 ZINC000082730113 178109558 /nfs/dbraw/zinc/10/95/58/178109558.db2.gz GONMTAVZEXVQSB-UHFFFAOYSA-N 0 0 238.334 3.518 10 0 BHAERN Cc1cc(N)ncc1-c1ccc(C(C)(C)C)cc1 ZINC000082730115 178109958 /nfs/dbraw/zinc/10/99/58/178109958.db2.gz STULGRJDDFAYNT-UHFFFAOYSA-N 0 0 240.350 3.937 10 0 BHAERN Cc1ccc(Cl)cc1-c1ccc(N)nc1C ZINC000082730167 388587728 /nfs/dbraw/zinc/58/77/28/388587728.db2.gz PMALHDGVXSAMPA-UHFFFAOYSA-N 0 0 232.714 3.601 10 0 BHAERN Cc1ccc2c(ccnc2Nc2ccccc2)c1N ZINC000082765458 384711596 /nfs/dbraw/zinc/71/15/96/384711596.db2.gz VIDPTOPYFFIWFS-UHFFFAOYSA-N 0 0 249.317 3.869 10 0 BHAERN CCc1ccc2ccnc(Br)c2c1 ZINC000082766525 537914406 /nfs/dbraw/zinc/91/44/06/537914406.db2.gz CMYKGPCUHPQLSD-UHFFFAOYSA-N 0 0 236.112 3.560 10 0 BHAERN Clc1cc(Br)c2ccncc2c1 ZINC000082767299 386945555 /nfs/dbraw/zinc/94/55/55/386945555.db2.gz AMFCDIZAAGUGCH-UHFFFAOYSA-N 0 0 242.503 3.651 10 0 BHAERN Cc1cc(C)c2cc(Br)ccc2n1 ZINC000082788353 537922051 /nfs/dbraw/zinc/92/20/51/537922051.db2.gz QUPMSWJERSVDBS-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Cc1cc(C)c2ccc(Br)cc2n1 ZINC000082788356 537921929 /nfs/dbraw/zinc/92/19/29/537921929.db2.gz KDXQFHHJUUWVFX-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Cc1ccnc2c(C)cc(Br)cc12 ZINC000082788446 384716319 /nfs/dbraw/zinc/71/63/19/384716319.db2.gz IPDTUWQTABRWMN-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Cc1cc(Cl)nc2c(O)ccc(Cl)c12 ZINC000082788466 178073552 /nfs/dbraw/zinc/07/35/52/178073552.db2.gz PWIRAPBOYARGCU-UHFFFAOYSA-N 0 0 228.078 3.556 10 0 BHAERN Fc1cccc2c(Cl)cc(Cl)nc12 ZINC000082788796 181003414 /nfs/dbraw/zinc/00/34/14/181003414.db2.gz BHWIUBLBLKBKHL-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN COc1cccc2nc(Cl)cc(Cl)c21 ZINC000082788804 175307588 /nfs/dbraw/zinc/30/75/88/175307588.db2.gz RCZVNZRSUZSYCC-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN Fc1ccc(F)c2c(Cl)cc(Cl)nc12 ZINC000082788809 388040972 /nfs/dbraw/zinc/04/09/72/388040972.db2.gz QYQAZMLZAWUIJX-UHFFFAOYSA-N 0 0 234.032 3.820 10 0 BHAERN Fc1cc(F)c2nc(Cl)cc(Cl)c2c1 ZINC000082788811 180952750 /nfs/dbraw/zinc/95/27/50/180952750.db2.gz PNBDSTJFDOBYCB-UHFFFAOYSA-N 0 0 234.032 3.820 10 0 BHAERN Oc1ccc(Cl)c2c(Cl)cc(Cl)nc12 ZINC000082788825 183271673 /nfs/dbraw/zinc/27/16/73/183271673.db2.gz NUZQDRIAFPFMBW-UHFFFAOYSA-N 0 0 248.496 3.901 10 0 BHAERN CC(=O)C[C@H](C)SCc1cccc(C)c1 ZINC000082794411 537923688 /nfs/dbraw/zinc/92/36/88/537923688.db2.gz MXENYRBAHJNLNJ-LBPRGKRZSA-N 0 0 222.353 3.596 10 0 BHAERN CC(=O)C[C@@H](C)SCc1cccc(C)c1 ZINC000082794414 537923234 /nfs/dbraw/zinc/92/32/34/537923234.db2.gz MXENYRBAHJNLNJ-GFCCVEGCSA-N 0 0 222.353 3.596 10 0 BHAERN CCC(=O)[C@@H](C)SCc1ccccc1C ZINC000082948892 538038041 /nfs/dbraw/zinc/03/80/41/538038041.db2.gz JQDGAQMEDRQSHT-LLVKDONJSA-N 0 0 222.353 3.596 10 0 BHAERN CCC(=O)[C@H](C)SCc1ccccc1C ZINC000082948895 538039849 /nfs/dbraw/zinc/03/98/49/538039849.db2.gz JQDGAQMEDRQSHT-NSHDSACASA-N 0 0 222.353 3.596 10 0 BHAERN CCC(=O)[C@@H](C)SCc1cccc(C)c1 ZINC000082948897 538040898 /nfs/dbraw/zinc/04/08/98/538040898.db2.gz JVXDMRQJECTWQC-LLVKDONJSA-N 0 0 222.353 3.596 10 0 BHAERN CCC(=O)[C@H](C)SCc1cccc(C)c1 ZINC000082948898 538039600 /nfs/dbraw/zinc/03/96/00/538039600.db2.gz JVXDMRQJECTWQC-NSHDSACASA-N 0 0 222.353 3.596 10 0 BHAERN C[C@H]1C(=O)CC[C@H]1Sc1ccc(Cl)cc1 ZINC000083000478 538050988 /nfs/dbraw/zinc/05/09/88/538050988.db2.gz IVNPEJAKNZUTGE-QPUJVOFHSA-N 0 0 240.755 3.800 10 0 BHAERN C[C@@H]1C(=O)CC[C@H]1Sc1ccc(Cl)cc1 ZINC000083000479 538050020 /nfs/dbraw/zinc/05/00/20/538050020.db2.gz IVNPEJAKNZUTGE-PRHODGIISA-N 0 0 240.755 3.800 10 0 BHAERN C[C@H]1C(=O)CC[C@@H]1Sc1ccc(Cl)cc1 ZINC000083000480 538050530 /nfs/dbraw/zinc/05/05/30/538050530.db2.gz IVNPEJAKNZUTGE-UFBFGSQYSA-N 0 0 240.755 3.800 10 0 BHAERN C[C@@H]1C(=O)CC[C@@H]1Sc1ccc(Cl)cc1 ZINC000083000481 538050055 /nfs/dbraw/zinc/05/00/55/538050055.db2.gz IVNPEJAKNZUTGE-PELKAZGASA-N 0 0 240.755 3.800 10 0 BHAERN C[C@H]1C(=O)CC[C@H]1Sc1ccccc1Cl ZINC000083000518 538051011 /nfs/dbraw/zinc/05/10/11/538051011.db2.gz OGHOLUIDCCOHDV-GZMMTYOYSA-N 0 0 240.755 3.800 10 0 BHAERN C[C@@H]1C(=O)CC[C@H]1Sc1ccccc1Cl ZINC000083000519 538049904 /nfs/dbraw/zinc/04/99/04/538049904.db2.gz OGHOLUIDCCOHDV-LDYMZIIASA-N 0 0 240.755 3.800 10 0 BHAERN C[C@H]1C(=O)CC[C@@H]1Sc1ccccc1Cl ZINC000083000520 538048855 /nfs/dbraw/zinc/04/88/55/538048855.db2.gz OGHOLUIDCCOHDV-KWQFWETISA-N 0 0 240.755 3.800 10 0 BHAERN C[C@@H]1C(=O)CC[C@@H]1Sc1ccccc1Cl ZINC000083000521 538051255 /nfs/dbraw/zinc/05/12/55/538051255.db2.gz OGHOLUIDCCOHDV-KCJUWKMLSA-N 0 0 240.755 3.800 10 0 BHAERN C[C@H]1C(=O)CC[C@H]1Sc1cccc(Cl)c1 ZINC000083000624 538049805 /nfs/dbraw/zinc/04/98/05/538049805.db2.gz BLINDPDRSPJMSJ-QPUJVOFHSA-N 0 0 240.755 3.800 10 0 BHAERN C[C@@H]1C(=O)CC[C@H]1Sc1cccc(Cl)c1 ZINC000083000625 538050806 /nfs/dbraw/zinc/05/08/06/538050806.db2.gz BLINDPDRSPJMSJ-PRHODGIISA-N 0 0 240.755 3.800 10 0 BHAERN C[C@H]1C(=O)CC[C@@H]1Sc1cccc(Cl)c1 ZINC000083000626 538048998 /nfs/dbraw/zinc/04/89/98/538048998.db2.gz BLINDPDRSPJMSJ-UFBFGSQYSA-N 0 0 240.755 3.800 10 0 BHAERN C[C@@H]1C(=O)CC[C@@H]1Sc1cccc(Cl)c1 ZINC000083000627 538049766 /nfs/dbraw/zinc/04/97/66/538049766.db2.gz BLINDPDRSPJMSJ-PELKAZGASA-N 0 0 240.755 3.800 10 0 BHAERN CSc1cc(C(F)(F)F)ccc1C(C)=O ZINC000083102986 384742551 /nfs/dbraw/zinc/74/25/51/384742551.db2.gz CJPQPFVYCADSPN-UHFFFAOYSA-N 0 0 234.242 3.630 10 0 BHAERN Nc1ccc(-c2csc(C3CCC3)n2)cc1 ZINC000083123358 181695143 /nfs/dbraw/zinc/69/51/43/181695143.db2.gz BZIZYXGOQVMTJE-UHFFFAOYSA-N 0 0 230.336 3.660 10 0 BHAERN Brc1cccc(-c2ccns2)c1 ZINC000083134771 166100765 /nfs/dbraw/zinc/10/07/65/166100765.db2.gz SKVVYZWDWLASKB-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN CSc1ccc(C(=O)c2cccs2)cc1 ZINC000083140013 187969224 /nfs/dbraw/zinc/96/92/24/187969224.db2.gz KIEBASXFDXFUKS-UHFFFAOYSA-N 0 0 234.345 3.701 10 0 BHAERN C[C@H](Nc1ccccc1Cl)c1nccs1 ZINC000083142302 384745874 /nfs/dbraw/zinc/74/58/74/384745874.db2.gz XCUGMUBFRZJROO-QMMMGPOBSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](Nc1ccccc1Cl)c1nccs1 ZINC000083142304 384744805 /nfs/dbraw/zinc/74/48/05/384744805.db2.gz XCUGMUBFRZJROO-MRVPVSSYSA-N 0 0 238.743 3.970 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1nccs1 ZINC000083142379 179306861 /nfs/dbraw/zinc/30/68/61/179306861.db2.gz XJIVOSRIXZEQKU-JTQLQIEISA-N 0 0 218.325 3.625 10 0 BHAERN Cc1ccccc1N[C@H](C)c1nccs1 ZINC000083142380 179306565 /nfs/dbraw/zinc/30/65/65/179306565.db2.gz XJIVOSRIXZEQKU-SNVBAGLBSA-N 0 0 218.325 3.625 10 0 BHAERN CC(=O)c1c(Cl)ccc(Cl)c1Cl ZINC000083158880 166434150 /nfs/dbraw/zinc/43/41/50/166434150.db2.gz SUKICMVSZLGGQQ-UHFFFAOYSA-N 0 0 223.486 3.849 10 0 BHAERN C[C@H](O)c1c(Cl)ccc(Cl)c1Cl ZINC000083158961 177015600 /nfs/dbraw/zinc/01/56/00/177015600.db2.gz CQVYBPCMBJVNIL-BYPYZUCNSA-N 0 0 225.502 3.700 10 0 BHAERN C[C@@H](O)c1c(Cl)ccc(Cl)c1Cl ZINC000083158964 175997984 /nfs/dbraw/zinc/99/79/84/175997984.db2.gz CQVYBPCMBJVNIL-SCSAIBSYSA-N 0 0 225.502 3.700 10 0 BHAERN C[C@H](O)c1cc2cc(Cl)cc(Cl)c2o1 ZINC000083160994 177016598 /nfs/dbraw/zinc/01/65/98/177016598.db2.gz WMMJLCYTKMODIW-YFKPBYRVSA-N 0 0 231.078 3.793 10 0 BHAERN CCCSc1ccc(Cl)cc1C=O ZINC000083224094 169341609 /nfs/dbraw/zinc/34/16/09/169341609.db2.gz QMECSJDITMCOER-UHFFFAOYSA-N 0 0 214.717 3.655 10 0 BHAERN Cc1cc(OC(C)C)c(C(C)C)cc1C=O ZINC000083224526 178206849 /nfs/dbraw/zinc/20/68/49/178206849.db2.gz OIAUDJXSMLDCHZ-UHFFFAOYSA-N 0 0 220.312 3.718 10 0 BHAERN Br/C=C/C=C/c1ccccc1 ZINC000083252740 166093237 /nfs/dbraw/zinc/09/32/37/166093237.db2.gz RHFAWXPHDBNIKS-KBXRYBNXSA-N 0 0 209.086 3.608 10 0 BHAERN Br/C=C/CCc1ccccc1 ZINC000083252741 166093264 /nfs/dbraw/zinc/09/32/64/166093264.db2.gz PJXCOCMLSWOVEF-WEVVVXLNSA-N 0 0 211.102 3.528 10 0 BHAERN C/C(=C/c1cc(Cl)cc(Cl)c1)[N+](=O)[O-] ZINC000083253507 188008367 /nfs/dbraw/zinc/00/83/67/188008367.db2.gz NXGFWDSXJCWYHL-KXFIGUGUSA-N 0 0 232.066 3.631 10 0 BHAERN Cc1ccc(Br)cc1C(=O)C(C)C ZINC000083255844 188008685 /nfs/dbraw/zinc/00/86/85/188008685.db2.gz ZILJVWXFNGLQPQ-UHFFFAOYSA-N 0 0 241.128 3.596 10 0 BHAERN COc1ccc(NC(C)C)c(Cl)c1Cl ZINC000083256553 175149670 /nfs/dbraw/zinc/14/96/70/175149670.db2.gz RIRAUUINNFMNMG-UHFFFAOYSA-N 0 0 234.126 3.822 10 0 BHAERN C/C(Br)=C(/C)c1ccccc1 ZINC000083261600 200929726 /nfs/dbraw/zinc/92/97/26/200929726.db2.gz BZUOGOFFBKZESC-CMDGGOBGSA-N 0 0 211.102 3.832 10 0 BHAERN Clc1ccc(/C=C\c2ncc[nH]2)c(Cl)c1 ZINC000083297637 644404223 /nfs/dbraw/zinc/40/42/23/644404223.db2.gz FETOXIKBUBLDHT-RQOWECAXSA-N 0 0 239.105 3.887 10 0 BHAERN Clc1ccc(/C=C\Br)cc1 ZINC000083306833 180578032 /nfs/dbraw/zinc/57/80/32/180578032.db2.gz ZTBMGKTZOOAZBH-WAYWQWQTSA-N 0 0 217.493 3.706 10 0 BHAERN COc1cc(C)c(/C=C/C(C)=C\CO)c(C)c1C ZINC000083318120 490251533 /nfs/dbraw/zinc/25/15/33/490251533.db2.gz PAESCFRMRPPDGE-VEQVDCDKSA-N 0 0 246.350 3.572 10 0 BHAERN O[C@@H]([C@H]1CCc2ccccc21)C1CCCCC1 ZINC000083324944 183218173 /nfs/dbraw/zinc/21/81/73/183218173.db2.gz GJVUMFONQYGKGI-JKSUJKDBSA-N 0 0 230.351 3.658 10 0 BHAERN O[C@@H]([C@@H]1CCc2ccccc21)C1CCCCC1 ZINC000083324946 183218383 /nfs/dbraw/zinc/21/83/83/183218383.db2.gz GJVUMFONQYGKGI-HZPDHXFCSA-N 0 0 230.351 3.658 10 0 BHAERN O[C@H]([C@H]1CCc2ccccc21)C1CCCCC1 ZINC000083324949 183172502 /nfs/dbraw/zinc/17/25/02/183172502.db2.gz GJVUMFONQYGKGI-HOTGVXAUSA-N 0 0 230.351 3.658 10 0 BHAERN O[C@H]([C@@H]1CCc2ccccc21)C1CCCCC1 ZINC000083324951 183173050 /nfs/dbraw/zinc/17/30/50/183173050.db2.gz GJVUMFONQYGKGI-CVEARBPZSA-N 0 0 230.351 3.658 10 0 BHAERN CCC[C@@H](C)CNc1cccc(Cl)n1 ZINC000083347187 169361176 /nfs/dbraw/zinc/36/11/76/169361176.db2.gz HXDYUCOUOSNNGG-SECBINFHSA-N 0 0 212.724 3.583 10 0 BHAERN CCC[C@@H](C)CNc1cnccc1Cl ZINC000083347191 169361293 /nfs/dbraw/zinc/36/12/93/169361293.db2.gz ZMPCABNSUANTQO-SECBINFHSA-N 0 0 212.724 3.583 10 0 BHAERN CCC(CC)CNc1cnccc1Cl ZINC000083347194 168365924 /nfs/dbraw/zinc/36/59/24/168365924.db2.gz WLZCXWKKOKYLRO-UHFFFAOYSA-N 0 0 212.724 3.583 10 0 BHAERN Cc1ccnc(Cl)c1NCCC(C)C ZINC000083347195 187450866 /nfs/dbraw/zinc/45/08/66/187450866.db2.gz IGCIAOVWXIKNER-UHFFFAOYSA-N 0 0 212.724 3.501 10 0 BHAERN CC(C)(C)CCNc1cc(Cl)ccn1 ZINC000083347203 166571777 /nfs/dbraw/zinc/57/17/77/166571777.db2.gz UHFWWZNRNNSRMO-UHFFFAOYSA-N 0 0 212.724 3.583 10 0 BHAERN Cc1cc(NCCC(C)C)cnc1Cl ZINC000083347205 178157967 /nfs/dbraw/zinc/15/79/67/178157967.db2.gz VHLLUXVNTAQJHS-UHFFFAOYSA-N 0 0 212.724 3.501 10 0 BHAERN CC(C)CCNc1cc(F)ccc1Cl ZINC000083348465 166868133 /nfs/dbraw/zinc/86/81/33/166868133.db2.gz AGWRIUIKDKLOHM-UHFFFAOYSA-N 0 0 215.699 3.937 10 0 BHAERN Cc1cccc(N)c1NCC1CCCCC1 ZINC000083349501 179120558 /nfs/dbraw/zinc/12/05/58/179120558.db2.gz CXSHQHOAEXSSLF-UHFFFAOYSA-N 0 0 218.344 3.569 10 0 BHAERN Cc1cccc(NCC2CCCCC2)c1N ZINC000083349502 179143889 /nfs/dbraw/zinc/14/38/89/179143889.db2.gz BKRBWRKJWKVEAN-UHFFFAOYSA-N 0 0 218.344 3.569 10 0 BHAERN CCC(CC)CNc1ccc(C(C)=O)cc1 ZINC000083349980 168364739 /nfs/dbraw/zinc/36/47/39/168364739.db2.gz DRFSNIWCASLXEX-UHFFFAOYSA-N 0 0 219.328 3.737 10 0 BHAERN CC(C)CNc1ccc(F)c(Cl)c1F ZINC000083350187 167016153 /nfs/dbraw/zinc/01/61/53/167016153.db2.gz PEVLMLRHVOAYHT-UHFFFAOYSA-N 0 0 219.662 3.686 10 0 BHAERN Cc1cccc(NC/C=C/c2ccccc2)n1 ZINC000083353534 388048660 /nfs/dbraw/zinc/04/86/60/388048660.db2.gz IXIFHZMGVCYWOX-UXBLZVDNSA-N 0 0 224.307 3.515 10 0 BHAERN Fc1cccc(Cl)c1NCc1ccco1 ZINC000083354272 180999180 /nfs/dbraw/zinc/99/91/80/180999180.db2.gz PLUFXUNMYCUFQC-UHFFFAOYSA-N 0 0 225.650 3.684 10 0 BHAERN CCC[C@@H](C)CNc1c(C)ccnc1Cl ZINC000083355092 169361171 /nfs/dbraw/zinc/36/11/71/169361171.db2.gz CTXKPRYIXKTAOL-SECBINFHSA-N 0 0 226.751 3.892 10 0 BHAERN CCC[C@H](C)CNc1c(C)ccnc1Cl ZINC000083355093 169483250 /nfs/dbraw/zinc/48/32/50/169483250.db2.gz CTXKPRYIXKTAOL-VIFPVBQESA-N 0 0 226.751 3.892 10 0 BHAERN CCC(CC)CNc1c(C)ccnc1Cl ZINC000083355095 168365367 /nfs/dbraw/zinc/36/53/67/168365367.db2.gz CJGDDHCNTXYKFA-UHFFFAOYSA-N 0 0 226.751 3.892 10 0 BHAERN Cc1cccc(C)c1CNc1cccc(O)c1 ZINC000083355498 179038418 /nfs/dbraw/zinc/03/84/18/179038418.db2.gz HVIRCOWRIKTHDQ-UHFFFAOYSA-N 0 0 227.307 3.621 10 0 BHAERN CCCNc1cc(C)ccc1Br ZINC000083355839 169294014 /nfs/dbraw/zinc/29/40/14/169294014.db2.gz SSSSCPYQFVQZSL-UHFFFAOYSA-N 0 0 228.133 3.579 10 0 BHAERN CC(C)CCNc1ccc(C(F)(F)F)nc1 ZINC000083358572 166868182 /nfs/dbraw/zinc/86/81/82/166868182.db2.gz RYKDKTDGRWGGLQ-UHFFFAOYSA-N 0 0 232.249 3.558 10 0 BHAERN CCc1ccc(CNc2nc(C)cs2)cc1 ZINC000083358963 171813637 /nfs/dbraw/zinc/81/36/37/171813637.db2.gz LWXSUAVBBDLANU-UHFFFAOYSA-N 0 0 232.352 3.626 10 0 BHAERN Cc1csc(NC[C@H](C)c2ccccc2)n1 ZINC000083358965 179789675 /nfs/dbraw/zinc/78/96/75/179789675.db2.gz ZKJQKMJIOAPNDU-JTQLQIEISA-N 0 0 232.352 3.667 10 0 BHAERN CCCCc1nc(-c2ccc(N)cc2)cs1 ZINC000083358979 187796312 /nfs/dbraw/zinc/79/63/12/187796312.db2.gz IDDRXKPPXJDYAB-UHFFFAOYSA-N 0 0 232.352 3.735 10 0 BHAERN Cc1ccccc1CNc1cnccc1Cl ZINC000083359326 179286287 /nfs/dbraw/zinc/28/62/87/179286287.db2.gz ONXOBTZSMLMSDH-UHFFFAOYSA-N 0 0 232.714 3.656 10 0 BHAERN Cc1cccc(CNc2cnccc2Cl)c1 ZINC000083359327 188316265 /nfs/dbraw/zinc/31/62/65/188316265.db2.gz IVDBXJHSUIGTSB-UHFFFAOYSA-N 0 0 232.714 3.656 10 0 BHAERN Cc1ccccc1NCc1ccncc1Cl ZINC000083359339 179305492 /nfs/dbraw/zinc/30/54/92/179305492.db2.gz SXTHLFYIDNGVDU-UHFFFAOYSA-N 0 0 232.714 3.656 10 0 BHAERN Cc1ccc(NCc2ccncc2Cl)cc1 ZINC000083359341 178765150 /nfs/dbraw/zinc/76/51/50/178765150.db2.gz HIZLXJMGLLUWET-UHFFFAOYSA-N 0 0 232.714 3.656 10 0 BHAERN Cc1cccc(NCc2ccncc2Cl)c1 ZINC000083359345 179150123 /nfs/dbraw/zinc/15/01/23/179150123.db2.gz WVFNEIJIBSOBIU-UHFFFAOYSA-N 0 0 232.714 3.656 10 0 BHAERN Cc1cccc(CNCc2ccco2)c1Cl ZINC000083362900 179094915 /nfs/dbraw/zinc/09/49/15/179094915.db2.gz FKOSKYPNBMZEIX-UHFFFAOYSA-N 0 0 235.714 3.531 10 0 BHAERN Cc1ccnc(Cl)c1NCc1cccs1 ZINC000083366537 187267076 /nfs/dbraw/zinc/26/70/76/187267076.db2.gz QQGAIOYEKHTZOO-UHFFFAOYSA-N 0 0 238.743 3.717 10 0 BHAERN Fc1ccccc1NCc1ccc2[nH]ccc2c1 ZINC000083368216 181014159 /nfs/dbraw/zinc/01/41/59/181014159.db2.gz QEWOZDIUVQIKIQ-UHFFFAOYSA-N 0 0 240.281 3.919 10 0 BHAERN Fc1ccccc1NCc1ccc2cc[nH]c2c1 ZINC000083368217 181014101 /nfs/dbraw/zinc/01/41/01/181014101.db2.gz NQQXZQUCBPDNFO-UHFFFAOYSA-N 0 0 240.281 3.919 10 0 BHAERN Fc1cccc(NCc2ccc3[nH]ccc3c2)c1 ZINC000083368225 181002337 /nfs/dbraw/zinc/00/23/37/181002337.db2.gz GCZGSCKMMJCVSE-UHFFFAOYSA-N 0 0 240.281 3.919 10 0 BHAERN Fc1cccc(NCc2ccc3cc[nH]c3c2)c1 ZINC000083368226 181001944 /nfs/dbraw/zinc/00/19/44/181001944.db2.gz MRFLHSDSEIVYDE-UHFFFAOYSA-N 0 0 240.281 3.919 10 0 BHAERN Cc1cccc(N)c1NCCCc1ccccc1 ZINC000083368600 179120511 /nfs/dbraw/zinc/12/05/11/179120511.db2.gz XVRRULFJAWSVME-UHFFFAOYSA-N 0 0 240.350 3.622 10 0 BHAERN Cc1cccc(NCCCc2ccccc2)c1N ZINC000083368601 179143995 /nfs/dbraw/zinc/14/39/95/179143995.db2.gz UMPDZPQKCSWNBI-UHFFFAOYSA-N 0 0 240.350 3.622 10 0 BHAERN Cc1cccc(N)c1NC[C@@H](C)c1ccccc1 ZINC000083368602 179120595 /nfs/dbraw/zinc/12/05/95/179120595.db2.gz LHUXGPOYMOQGKQ-CYBMUJFWSA-N 0 0 240.350 3.793 10 0 BHAERN Cc1cccc(N)c1NC[C@H](C)c1ccccc1 ZINC000083368603 179120959 /nfs/dbraw/zinc/12/09/59/179120959.db2.gz LHUXGPOYMOQGKQ-ZDUSSCGKSA-N 0 0 240.350 3.793 10 0 BHAERN Cc1cccc(NC[C@@H](C)c2ccccc2)c1N ZINC000083368604 179146663 /nfs/dbraw/zinc/14/66/63/179146663.db2.gz NPUAXJLZSPHZDQ-CYBMUJFWSA-N 0 0 240.350 3.793 10 0 BHAERN Cc1cccc(NC[C@H](C)c2ccccc2)c1N ZINC000083368605 179149070 /nfs/dbraw/zinc/14/90/70/179149070.db2.gz NPUAXJLZSPHZDQ-ZDUSSCGKSA-N 0 0 240.350 3.793 10 0 BHAERN Cc1cccc(C)c1CNc1ccc(O)cc1C ZINC000083369547 178201362 /nfs/dbraw/zinc/20/13/62/178201362.db2.gz OBEVVYGAKDLUKR-UHFFFAOYSA-N 0 0 241.334 3.930 10 0 BHAERN CCCNc1ccc(Br)cc1CC ZINC000083370027 188141692 /nfs/dbraw/zinc/14/16/92/188141692.db2.gz LXELBNNQMMXOKF-UHFFFAOYSA-N 0 0 242.160 3.833 10 0 BHAERN Cc1cccc(NCc2ccc(O)c(F)c2)c1C ZINC000083374012 179149815 /nfs/dbraw/zinc/14/98/15/179149815.db2.gz QRDHWGDGHMKEBJ-UHFFFAOYSA-N 0 0 245.297 3.760 10 0 BHAERN CC(C)CNc1cc(F)ccc1Br ZINC000083374691 167014548 /nfs/dbraw/zinc/01/45/48/167014548.db2.gz OUNLLSICTFFMSN-UHFFFAOYSA-N 0 0 246.123 3.656 10 0 BHAERN CC(C)CNc1ccc(Br)c(F)c1 ZINC000083374692 167016678 /nfs/dbraw/zinc/01/66/78/167016678.db2.gz QAJYXIWERBJESQ-UHFFFAOYSA-N 0 0 246.123 3.656 10 0 BHAERN CCC[C@@H](C)CNc1ccc(C(F)(F)F)nc1 ZINC000083375064 169361131 /nfs/dbraw/zinc/36/11/31/169361131.db2.gz UDVLBUXWMHZBHR-SECBINFHSA-N 0 0 246.276 3.949 10 0 BHAERN CC(C)(C)CCNc1ccc(C(F)(F)F)nc1 ZINC000083375066 166572640 /nfs/dbraw/zinc/57/26/40/166572640.db2.gz SZLPGOQZFFXAKO-UHFFFAOYSA-N 0 0 246.276 3.949 10 0 BHAERN CCC(CC)CNc1ccc(C(F)(F)F)nc1 ZINC000083375067 168364856 /nfs/dbraw/zinc/36/48/56/168364856.db2.gz HIFIRZHHAFSGAT-UHFFFAOYSA-N 0 0 246.276 3.949 10 0 BHAERN Cc1ccc(C)c(CNc2cnccc2Cl)c1 ZINC000083376090 178475975 /nfs/dbraw/zinc/47/59/75/178475975.db2.gz PQUBIGBMMQAQEP-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN Cc1cccc(C)c1CNc1cnccc1Cl ZINC000083376092 179038476 /nfs/dbraw/zinc/03/84/76/179038476.db2.gz TUGUUWICWCLVLZ-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN Cc1ccc(CNc2c(C)ccnc2Cl)cc1 ZINC000083376096 178636786 /nfs/dbraw/zinc/63/67/86/178636786.db2.gz LOHFJXPEPXTDEU-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN Cc1ccccc1CNc1c(C)ccnc1Cl ZINC000083376098 179284550 /nfs/dbraw/zinc/28/45/50/179284550.db2.gz WPIXBJYWXXMGHN-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN Cc1cccc(CNc2c(C)ccnc2Cl)c1 ZINC000083376099 179102241 /nfs/dbraw/zinc/10/22/41/179102241.db2.gz YKHXHTSQRGJXQF-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN Cc1cc(NCCc2ccccc2)cnc1Cl ZINC000083376124 178162852 /nfs/dbraw/zinc/16/28/52/178162852.db2.gz YSCORQLYTFKYCH-UHFFFAOYSA-N 0 0 246.741 3.698 10 0 BHAERN Cc1cccc(C)c1NCc1ccncc1Cl ZINC000083376130 179043273 /nfs/dbraw/zinc/04/32/73/179043273.db2.gz VLYHGRHYBBIDMD-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN Cc1ccc(C)c(NCc2ccncc2Cl)c1 ZINC000083376139 178484126 /nfs/dbraw/zinc/48/41/26/178484126.db2.gz UVGGYZQYZFWZNQ-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN Cc1cccc(NCc2ccncc2Cl)c1C ZINC000083376141 179150804 /nfs/dbraw/zinc/15/08/04/179150804.db2.gz KRLOJTPSQBPJGW-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN CCc1ccccc1NCc1ccncc1Cl ZINC000083376143 171889649 /nfs/dbraw/zinc/88/96/49/171889649.db2.gz OYKUAKCAVAXPMO-UHFFFAOYSA-N 0 0 246.741 3.910 10 0 BHAERN Cc1cccc(N)c1NCc1cccc(Cl)c1 ZINC000083376148 179121092 /nfs/dbraw/zinc/12/10/92/179121092.db2.gz JGTPEEVPDUHRNQ-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1cccc(NCc2cccc(Cl)c2)c1N ZINC000083376149 179150188 /nfs/dbraw/zinc/15/01/88/179150188.db2.gz DXBOIWQVYQZVIS-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1cccc(N)c1NCc1ccc(Cl)cc1 ZINC000083376150 179121067 /nfs/dbraw/zinc/12/10/67/179121067.db2.gz WNKPZKGDTKKEPT-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1cccc(NCc2ccc(Cl)cc2)c1N ZINC000083376151 179150714 /nfs/dbraw/zinc/15/07/14/179150714.db2.gz BUAMBUZVKQIPEU-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1cccc(N)c1NCc1ccccc1Cl ZINC000083376152 179120912 /nfs/dbraw/zinc/12/09/12/179120912.db2.gz UBOGYGIHPRWEEM-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1cccc(NCc2ccccc2Cl)c1N ZINC000083376153 179150790 /nfs/dbraw/zinc/15/07/90/179150790.db2.gz DMALPXVUNXSVBI-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN Cc1cccc(C)c1CNc1cccnc1Cl ZINC000083376198 179038783 /nfs/dbraw/zinc/03/87/83/179038783.db2.gz MGTDJFKWJJOZBT-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN Cc1ccc(NCc2ccc(Cl)cc2)cc1O ZINC000083377828 178762151 /nfs/dbraw/zinc/76/21/51/178762151.db2.gz DWKUVOXYJTWBDS-UHFFFAOYSA-N 0 0 247.725 3.966 10 0 BHAERN Cc1cc(O)ccc1NCc1ccc(Cl)cc1 ZINC000083377840 178200351 /nfs/dbraw/zinc/20/03/51/178200351.db2.gz GVOBMLQPTQNJSC-UHFFFAOYSA-N 0 0 247.725 3.966 10 0 BHAERN CCCNc1ccc(Br)c(Cl)c1 ZINC000083379692 188317090 /nfs/dbraw/zinc/31/70/90/188317090.db2.gz CFXWTHHDIZYDCS-UHFFFAOYSA-N 0 0 248.551 3.924 10 0 BHAERN Cc1ccc(NCc2c(F)cccc2F)cc1O ZINC000083380182 178762409 /nfs/dbraw/zinc/76/24/09/178762409.db2.gz VWTHDAVOSUSIAG-UHFFFAOYSA-N 0 0 249.260 3.591 10 0 BHAERN Cc1cc(O)ccc1NCc1cc(F)cc(F)c1 ZINC000083380207 178201242 /nfs/dbraw/zinc/20/12/42/178201242.db2.gz OZAGLGDVODOBPH-UHFFFAOYSA-N 0 0 249.260 3.591 10 0 BHAERN Cc1cc(F)ccc1NCc1ccc(O)c(F)c1 ZINC000083380256 178089866 /nfs/dbraw/zinc/08/98/66/178089866.db2.gz VPJWUVPCENDQJS-UHFFFAOYSA-N 0 0 249.260 3.591 10 0 BHAERN COC(=O)c1cc(C)ccc1NCCC(C)(C)C ZINC000083381158 173852101 /nfs/dbraw/zinc/85/21/01/173852101.db2.gz OUUAYJZLBYLYRR-UHFFFAOYSA-N 0 0 249.354 3.630 10 0 BHAERN CCOC(=O)c1ccc(NCCC(C)(C)C)cc1 ZINC000083381228 170296948 /nfs/dbraw/zinc/29/69/48/170296948.db2.gz CDLLMZNFPBUTPW-UHFFFAOYSA-N 0 0 249.354 3.711 10 0 BHAERN CC(C)(C)[C@@H]1CCC[C@](N)(C(F)(F)F)CC1 ZINC000083438798 384771352 /nfs/dbraw/zinc/77/13/52/384771352.db2.gz JQLDMVFQXHBNML-MWLCHTKSSA-N 0 0 237.309 3.873 10 0 BHAERN CC(C)(C)[C@H]1CCC[C@](N)(C(F)(F)F)CC1 ZINC000083438799 259338032 /nfs/dbraw/zinc/33/80/32/259338032.db2.gz JQLDMVFQXHBNML-GXSJLCMTSA-N 0 0 237.309 3.873 10 0 BHAERN CC(C)(C)[C@@H]1CCC[C@@](N)(C(F)(F)F)CC1 ZINC000083438800 188317216 /nfs/dbraw/zinc/31/72/16/188317216.db2.gz JQLDMVFQXHBNML-KOLCDFICSA-N 0 0 237.309 3.873 10 0 BHAERN CC(C)(C)[C@H]1CCC[C@@](N)(C(F)(F)F)CC1 ZINC000083438801 384771825 /nfs/dbraw/zinc/77/18/25/384771825.db2.gz JQLDMVFQXHBNML-ONGXEEELSA-N 0 0 237.309 3.873 10 0 BHAERN Cc1cc(-c2ccc3c(c2)CCN3)cs1 ZINC000083446738 538500181 /nfs/dbraw/zinc/50/01/81/538500181.db2.gz VSHRMZDFLKECIY-UHFFFAOYSA-N 0 0 215.321 3.692 10 0 BHAERN CSc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000083502164 344178211 /nfs/dbraw/zinc/17/82/11/344178211.db2.gz RRIKWBUMKNBOJN-UHFFFAOYSA-N 0 0 239.340 3.756 10 0 BHAERN CC(C)(C)OC(=O)Nc1cnc2ccccc2c1 ZINC000083502266 368781208 /nfs/dbraw/zinc/78/12/08/368781208.db2.gz FIRPDHLWHJGBJF-UHFFFAOYSA-N 0 0 244.294 3.582 10 0 BHAERN C[C@@](O)(CCc1ccsc1)c1cccs1 ZINC000083504174 176516545 /nfs/dbraw/zinc/51/65/45/176516545.db2.gz NMMWOYAIQVWWNA-GFCCVEGCSA-N 0 0 238.377 3.650 10 0 BHAERN Cc1nc(N[C@@H](C)c2cccs2)sc1C ZINC000083532699 343489508 /nfs/dbraw/zinc/48/95/08/343489508.db2.gz DSJSKQHIZSIVMS-QMMMGPOBSA-N 0 0 238.381 3.995 10 0 BHAERN Cc1nc(N[C@H](C)c2cccs2)sc1C ZINC000083532700 343489842 /nfs/dbraw/zinc/48/98/42/343489842.db2.gz DSJSKQHIZSIVMS-MRVPVSSYSA-N 0 0 238.381 3.995 10 0 BHAERN CC[C@H](Nc1nc(C)c(C)s1)C(C)C ZINC000083532800 350240256 /nfs/dbraw/zinc/24/02/56/350240256.db2.gz DMZNCQNZQATKTR-JTQLQIEISA-N 0 0 212.362 3.606 10 0 BHAERN CC[C@@H](Nc1nc(C)c(C)s1)C(C)C ZINC000083532801 535810067 /nfs/dbraw/zinc/81/00/67/535810067.db2.gz DMZNCQNZQATKTR-SNVBAGLBSA-N 0 0 212.362 3.606 10 0 BHAERN Cc1nc(N[C@@H](C)C2CCCC2)sc1C ZINC000083532958 133527246 /nfs/dbraw/zinc/52/72/46/133527246.db2.gz BPKXKIOWTPNKGE-VIFPVBQESA-N 0 0 224.373 3.751 10 0 BHAERN Cc1nc(N[C@H](C)C2CCCC2)sc1C ZINC000083532959 343490054 /nfs/dbraw/zinc/49/00/54/343490054.db2.gz BPKXKIOWTPNKGE-SECBINFHSA-N 0 0 224.373 3.751 10 0 BHAERN CC(C)c1nsc(NC2CCC(C)CC2)n1 ZINC000083652545 388058191 /nfs/dbraw/zinc/05/81/91/388058191.db2.gz VAUHSVFVMIQZSM-UHFFFAOYSA-N 0 0 239.388 3.652 10 0 BHAERN CC[C@H](Nc1nc(C(C)C)ns1)C(C)C ZINC000083654428 491162417 /nfs/dbraw/zinc/16/24/17/491162417.db2.gz BSFHMWORKNQYAY-VIFPVBQESA-N 0 0 227.377 3.508 10 0 BHAERN CC[C@@H](Nc1nc(C(C)C)ns1)C(C)C ZINC000083654431 491162439 /nfs/dbraw/zinc/16/24/39/491162439.db2.gz BSFHMWORKNQYAY-SECBINFHSA-N 0 0 227.377 3.508 10 0 BHAERN CC(C)c1nsc(N[C@@H](C)C2CCCC2)n1 ZINC000083669147 491162490 /nfs/dbraw/zinc/16/24/90/491162490.db2.gz AMHCYSSILKYXRX-VIFPVBQESA-N 0 0 239.388 3.652 10 0 BHAERN CCCC(=O)c1cc2cccc(F)c2o1 ZINC000083815139 538524233 /nfs/dbraw/zinc/52/42/33/538524233.db2.gz XZCVODPJDGSYAJ-UHFFFAOYSA-N 0 0 206.216 3.555 10 0 BHAERN CC(C)(C)C(=O)c1cc2cccc(F)c2o1 ZINC000083815140 538111817 /nfs/dbraw/zinc/11/18/17/538111817.db2.gz FPUDJPZLKMIXIM-UHFFFAOYSA-N 0 0 220.243 3.801 10 0 BHAERN CCCC(=O)c1cc2cc(C)ccc2o1 ZINC000083815146 538523868 /nfs/dbraw/zinc/52/38/68/538523868.db2.gz JNHFVYFMFDYGQE-UHFFFAOYSA-N 0 0 202.253 3.724 10 0 BHAERN CCCC(=O)c1cc2cccc(C)c2o1 ZINC000083815148 538524049 /nfs/dbraw/zinc/52/40/49/538524049.db2.gz CWBHZGNAZODOOX-UHFFFAOYSA-N 0 0 202.253 3.724 10 0 BHAERN Cc1cccc2cc(C(=O)C(C)(C)C)oc21 ZINC000083815149 538111797 /nfs/dbraw/zinc/11/17/97/538111797.db2.gz RCGBWUTZCVJZJI-UHFFFAOYSA-N 0 0 216.280 3.970 10 0 BHAERN Cc1cccc2cc(C(=O)C(C)C)oc21 ZINC000083815151 582706549 /nfs/dbraw/zinc/70/65/49/582706549.db2.gz MBEVPLLZCDSBLU-UHFFFAOYSA-N 0 0 202.253 3.580 10 0 BHAERN CC(C)C(=O)c1cc2cccc(Cl)c2o1 ZINC000083815161 538524830 /nfs/dbraw/zinc/52/48/30/538524830.db2.gz XJKVTFNTRNYVKL-UHFFFAOYSA-N 0 0 222.671 3.925 10 0 BHAERN CCCC(=O)c1cc2cc(F)ccc2o1 ZINC000083815163 538523801 /nfs/dbraw/zinc/52/38/01/538523801.db2.gz DNYGUUUQYXVWKW-UHFFFAOYSA-N 0 0 206.216 3.555 10 0 BHAERN CC(C)(C)C(=O)c1cc2cc(F)ccc2o1 ZINC000083815164 538111829 /nfs/dbraw/zinc/11/18/29/538111829.db2.gz ZPLSRZNECGCUMH-UHFFFAOYSA-N 0 0 220.243 3.801 10 0 BHAERN CCCC(=O)c1cc2cc(F)cc(F)c2o1 ZINC000083815191 538111798 /nfs/dbraw/zinc/11/17/98/538111798.db2.gz XYDCSURCLDJZKS-UHFFFAOYSA-N 0 0 224.206 3.694 10 0 BHAERN CC(C)C(=O)c1cc2cc(F)cc(F)c2o1 ZINC000083815193 538111809 /nfs/dbraw/zinc/11/18/09/538111809.db2.gz YCKLCHOALHDPLM-UHFFFAOYSA-N 0 0 224.206 3.550 10 0 BHAERN CCCC(=O)c1cc2cccc(CC)c2o1 ZINC000083815267 538111810 /nfs/dbraw/zinc/11/18/10/538111810.db2.gz KGYQPHIUBYGIMN-UHFFFAOYSA-N 0 0 216.280 3.978 10 0 BHAERN CCc1cccc2cc(C(=O)C(C)C)oc21 ZINC000083815269 538111805 /nfs/dbraw/zinc/11/18/05/538111805.db2.gz XRCWXHQFXJBEIH-UHFFFAOYSA-N 0 0 216.280 3.834 10 0 BHAERN CCCC(=O)c1cc2ccc(F)c(F)c2o1 ZINC000083815302 538523864 /nfs/dbraw/zinc/52/38/64/538523864.db2.gz PXDCKDUUEIOKSJ-UHFFFAOYSA-N 0 0 224.206 3.694 10 0 BHAERN CC(C)C(=O)c1cc2ccc(F)c(F)c2o1 ZINC000083815305 538111807 /nfs/dbraw/zinc/11/18/07/538111807.db2.gz PVWLDKGMBDOYEE-UHFFFAOYSA-N 0 0 224.206 3.550 10 0 BHAERN Nc1ccc(-c2ccc(Cl)cc2)c(F)c1 ZINC000083826711 538524309 /nfs/dbraw/zinc/52/43/09/538524309.db2.gz JEUMXUVIFMDQTR-UHFFFAOYSA-N 0 0 221.662 3.728 10 0 BHAERN Nc1ccc(-c2ccccc2Cl)c(F)c1 ZINC000083826726 386548745 /nfs/dbraw/zinc/54/87/45/386548745.db2.gz AEZLTCPZUAUKMM-UHFFFAOYSA-N 0 0 221.662 3.728 10 0 BHAERN Cc1ccc(-c2ccc(N)cc2F)c(C)c1 ZINC000083826739 538524685 /nfs/dbraw/zinc/52/46/85/538524685.db2.gz RUVMBPUSAVWRQT-UHFFFAOYSA-N 0 0 215.271 3.692 10 0 BHAERN FC(F)(F)c1cccc(NCC2CCC2)c1 ZINC000083838209 384755713 /nfs/dbraw/zinc/75/57/13/384755713.db2.gz MPDOUGUGIVBSGZ-UHFFFAOYSA-N 0 0 229.245 3.917 10 0 BHAERN C/C=C/C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000083881626 643629915 /nfs/dbraw/zinc/62/99/15/643629915.db2.gz TZIOQTXFWOVXQX-SYTKJHMZSA-N 0 0 245.366 3.737 10 0 BHAERN C/C=C/C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000083881627 643628608 /nfs/dbraw/zinc/62/86/08/643628608.db2.gz TZIOQTXFWOVXQX-NNNHXZLVSA-N 0 0 245.366 3.737 10 0 BHAERN CNc1ccc(-c2cccc(F)c2)cc1 ZINC000083984291 538525835 /nfs/dbraw/zinc/52/58/35/538525835.db2.gz IXQBUICKPPKOAH-UHFFFAOYSA-N 0 0 201.244 3.534 10 0 BHAERN CNc1ccc(-c2ccc(F)cc2)cc1 ZINC000083984297 538525229 /nfs/dbraw/zinc/52/52/29/538525229.db2.gz WCSPBXYTAFXWJN-UHFFFAOYSA-N 0 0 201.244 3.534 10 0 BHAERN O=Cc1ccc(-c2ccc(Cl)s2)cc1 ZINC000084014460 384829598 /nfs/dbraw/zinc/82/95/98/384829598.db2.gz AZKALEOJPGZXKH-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN O=Cc1cccc(-c2ccc(Cl)s2)c1 ZINC000084014462 644416207 /nfs/dbraw/zinc/41/62/07/644416207.db2.gz FKGMIIOMKXEURF-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN Cc1c(Cl)ncnc1-c1ccc(Cl)cc1 ZINC000084025113 343711630 /nfs/dbraw/zinc/71/16/30/343711630.db2.gz YTHKHTLLTQHLNM-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN COc1cc(C)c(-c2ccc(C=O)cc2)cc1C ZINC000084055570 643643142 /nfs/dbraw/zinc/64/31/42/643643142.db2.gz ROEUKEDSYCNNPC-UHFFFAOYSA-N 0 0 240.302 3.792 10 0 BHAERN COc1c(C)cc(-c2ccc(C=O)cc2)cc1C ZINC000084055598 631431429 /nfs/dbraw/zinc/43/14/29/631431429.db2.gz RGOMNYRQVAJCCP-UHFFFAOYSA-N 0 0 240.302 3.792 10 0 BHAERN COc1cc(C)c(-c2cccc(C=O)c2)cc1C ZINC000084055605 631431765 /nfs/dbraw/zinc/43/17/65/631431765.db2.gz WGHRWAPYSRVGKE-UHFFFAOYSA-N 0 0 240.302 3.792 10 0 BHAERN COc1c(C)cc(-c2cccc(C=O)c2)cc1C ZINC000084055635 631432826 /nfs/dbraw/zinc/43/28/26/631432826.db2.gz AMRWBBPDUCVFGL-UHFFFAOYSA-N 0 0 240.302 3.792 10 0 BHAERN CC(C)C[C@@H](C)Nc1c(F)cc(F)cc1F ZINC000084056554 384831486 /nfs/dbraw/zinc/83/14/86/384831486.db2.gz HKLIEUMROCVCPN-MRVPVSSYSA-N 0 0 231.261 3.950 10 0 BHAERN CC(C)C[C@H](C)Nc1c(F)cc(F)cc1F ZINC000084056558 384833400 /nfs/dbraw/zinc/83/34/00/384833400.db2.gz HKLIEUMROCVCPN-QMMMGPOBSA-N 0 0 231.261 3.950 10 0 BHAERN COc1ccc(-c2ccc(C=O)cc2)c(Cl)c1 ZINC000084077150 368847410 /nfs/dbraw/zinc/84/74/10/368847410.db2.gz VWBCRHXKEDMVCP-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN Clc1nsc2ccc(Br)cc12 ZINC000084097109 538527728 /nfs/dbraw/zinc/52/77/28/538527728.db2.gz KETKMCDPJRQYGE-UHFFFAOYSA-N 0 0 248.532 3.712 10 0 BHAERN Cc1ccc(-c2c(Cl)ncnc2Cl)cc1 ZINC000084193534 178317523 /nfs/dbraw/zinc/31/75/23/178317523.db2.gz XCIYCYPBRIGCOY-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN CC(C)c1cc2ccc(Br)cn2c1 ZINC000084305124 641354123 /nfs/dbraw/zinc/35/41/23/641354123.db2.gz ACAFABTXNHKGEB-UHFFFAOYSA-N 0 0 238.128 3.825 10 0 BHAERN Clc1ccc2occc2c1Br ZINC000084306204 635890822 /nfs/dbraw/zinc/89/08/22/635890822.db2.gz WUZHZMXVGUPKEI-UHFFFAOYSA-N 0 0 231.476 3.849 10 0 BHAERN Cc1ccc(Br)c2ccoc21 ZINC000084326630 355356018 /nfs/dbraw/zinc/35/60/18/355356018.db2.gz MECGYZSGNVPTER-UHFFFAOYSA-N 0 0 211.058 3.504 10 0 BHAERN O[C@@H](c1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000084375126 183184074 /nfs/dbraw/zinc/18/40/74/183184074.db2.gz GUOSXIALUZCVOA-SNVBAGLBSA-N 0 0 248.269 3.742 10 0 BHAERN O[C@H](c1ccc(SC(F)(F)F)cc1)C1CC1 ZINC000084375127 183229719 /nfs/dbraw/zinc/22/97/19/183229719.db2.gz GUOSXIALUZCVOA-JTQLQIEISA-N 0 0 248.269 3.742 10 0 BHAERN CCOCOC1CCCCCCCCC1 ZINC000084403498 384866063 /nfs/dbraw/zinc/86/60/63/384866063.db2.gz MINUUYKOJXXJKZ-UHFFFAOYSA-N 0 0 214.349 3.890 10 0 BHAERN O=C(Cc1ccccc1)c1cccc(Cl)c1F ZINC000084411445 368853890 /nfs/dbraw/zinc/85/38/90/368853890.db2.gz UGGVOVFTASZFDP-UHFFFAOYSA-N 0 0 248.684 3.905 10 0 BHAERN CC(C)C(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000084420107 345752069 /nfs/dbraw/zinc/75/20/69/345752069.db2.gz VGAHXRYENYACRC-UHFFFAOYSA-N 0 0 221.687 3.660 10 0 BHAERN C[C@H]1c2ccc(C3CCCCC3)cc2OC1=O ZINC000084462367 176046985 /nfs/dbraw/zinc/04/69/85/176046985.db2.gz CMNLHACLIMGETM-JTQLQIEISA-N 0 0 230.307 3.757 10 0 BHAERN CC(=O)CCCc1ccc(Cl)c(C)c1 ZINC000084477076 643662976 /nfs/dbraw/zinc/66/29/76/643662976.db2.gz SRPQXCATXYPTKQ-UHFFFAOYSA-N 0 0 210.704 3.560 10 0 BHAERN Cc1ccc(C(C)C)cc1C(=O)c1ccncc1 ZINC000084537500 178453727 /nfs/dbraw/zinc/45/37/27/178453727.db2.gz LBEPHIKGQKGEHF-UHFFFAOYSA-N 0 0 239.318 3.744 10 0 BHAERN Nc1ccc(-c2c(F)cccc2Cl)c(F)c1 ZINC000084654358 181692232 /nfs/dbraw/zinc/69/22/32/181692232.db2.gz IUUHHNDUSILMMN-UHFFFAOYSA-N 0 0 239.652 3.867 10 0 BHAERN Oc1ccc2cc(-c3ccccc3)oc2c1 ZINC000084706606 183284508 /nfs/dbraw/zinc/28/45/08/183284508.db2.gz MARQNYITQHCUPM-UHFFFAOYSA-N 0 0 210.232 3.805 10 0 BHAERN CCC[C@H](O)C[C@@H]1CCCc2ccccc21 ZINC000084718585 169521365 /nfs/dbraw/zinc/52/13/65/169521365.db2.gz NQPFAVCGSKZBIG-KBPBESRZSA-N 0 0 218.340 3.658 10 0 BHAERN CCC[C@@H](O)C[C@@H]1CCCc2ccccc21 ZINC000084718586 169412131 /nfs/dbraw/zinc/41/21/31/169412131.db2.gz NQPFAVCGSKZBIG-UONOGXRCSA-N 0 0 218.340 3.658 10 0 BHAERN CCC[C@H](O)C[C@H]1CCCc2ccccc21 ZINC000084718587 384892995 /nfs/dbraw/zinc/89/29/95/384892995.db2.gz NQPFAVCGSKZBIG-KGLIPLIRSA-N 0 0 218.340 3.658 10 0 BHAERN CCC[C@@H](O)C[C@H]1CCCc2ccccc21 ZINC000084718588 384892734 /nfs/dbraw/zinc/89/27/34/384892734.db2.gz NQPFAVCGSKZBIG-ZIAGYGMSSA-N 0 0 218.340 3.658 10 0 BHAERN Cc1ccc(-c2cc3ccc(O)cc3o2)o1 ZINC000084727643 178321621 /nfs/dbraw/zinc/32/16/21/178321621.db2.gz NBFBFFIJCRHPMI-UHFFFAOYSA-N 0 0 214.220 3.707 10 0 BHAERN Cc1ccc2ccccc2c1-c1csc(N)n1 ZINC000084917102 178971442 /nfs/dbraw/zinc/97/14/42/178971442.db2.gz KAVRKCBTJYXVEU-UHFFFAOYSA-N 0 0 240.331 3.854 10 0 BHAERN CN(C)c1ccc(Cl)c2ccccc21 ZINC000084918122 368860294 /nfs/dbraw/zinc/86/02/94/368860294.db2.gz XAGKLUNUPGSLJS-UHFFFAOYSA-N 0 0 205.688 3.559 10 0 BHAERN CC(C)n1nc(-c2ccccc2)cc1Cl ZINC000085019108 355915380 /nfs/dbraw/zinc/91/53/80/355915380.db2.gz YQXSJGYEIAVWFB-UHFFFAOYSA-N 0 0 220.703 3.784 10 0 BHAERN CC(C)(C)[C@H](O)CSc1cccc(Cl)c1 ZINC000085195747 387479168 /nfs/dbraw/zinc/47/91/68/387479168.db2.gz VQNYXHRHOHOPQE-LLVKDONJSA-N 0 0 244.787 3.839 10 0 BHAERN CC(C)(C)[C@@H](O)CSc1cccc(Cl)c1 ZINC000085195752 387480167 /nfs/dbraw/zinc/48/01/67/387480167.db2.gz VQNYXHRHOHOPQE-NSHDSACASA-N 0 0 244.787 3.839 10 0 BHAERN O=Cc1cc(Cl)ccc1-c1ccccc1 ZINC000085220118 356211561 /nfs/dbraw/zinc/21/15/61/356211561.db2.gz BPWATAJMPLXNIV-UHFFFAOYSA-N 0 0 216.667 3.820 10 0 BHAERN CC[C@@H](O)c1cc(Cl)ccc1Br ZINC000085221137 356212212 /nfs/dbraw/zinc/21/22/12/356212212.db2.gz JHHUNRHMVPYAGH-SECBINFHSA-N 0 0 249.535 3.546 10 0 BHAERN Clc1ccc(Oc2ccccc2)nc1 ZINC000085316377 180584977 /nfs/dbraw/zinc/58/49/77/180584977.db2.gz OCHQCFFNIYIWEL-UHFFFAOYSA-N 0 0 205.644 3.527 10 0 BHAERN CCOC(=O)/C=C/c1cc(Cl)cc(Cl)c1 ZINC000085343013 188124261 /nfs/dbraw/zinc/12/42/61/188124261.db2.gz LLGOAWHYPZBDNV-ONEGZZNKSA-N 0 0 245.105 3.570 10 0 BHAERN Cc1cc2[nH]c(-c3cccs3)nc2c(C)c1 ZINC000085345269 384516632 /nfs/dbraw/zinc/51/66/32/384516632.db2.gz CXBNKFKMKJKKOX-UHFFFAOYSA-N 0 0 228.320 3.908 10 0 BHAERN COc1ccc2cn(Cc3ccccc3)cc2c1 ZINC000085346324 175226655 /nfs/dbraw/zinc/22/66/55/175226655.db2.gz FXKZYZUWYRSIHI-UHFFFAOYSA-N 0 0 237.302 3.698 10 0 BHAERN O=C(C[C@@H]1CCCCCC1=O)c1ccc(F)cc1 ZINC000085347613 182016219 /nfs/dbraw/zinc/01/62/19/182016219.db2.gz LHCCIACERGLSIE-LBPRGKRZSA-N 0 0 248.297 3.548 10 0 BHAERN O=C(C[C@H]1CCCCCC1=O)c1ccc(F)cc1 ZINC000085347616 182026353 /nfs/dbraw/zinc/02/63/53/182026353.db2.gz LHCCIACERGLSIE-GFCCVEGCSA-N 0 0 248.297 3.548 10 0 BHAERN CCO[C@@H]1C[C@H](Nc2ccccc2C)C1(C)C ZINC000085379709 384941309 /nfs/dbraw/zinc/94/13/09/384941309.db2.gz VXYMDDANBBAGCZ-UONOGXRCSA-N 0 0 233.355 3.611 10 0 BHAERN CCO[C@H]1C[C@H](Nc2ccccc2C)C1(C)C ZINC000085379710 256770819 /nfs/dbraw/zinc/77/08/19/256770819.db2.gz VXYMDDANBBAGCZ-KBPBESRZSA-N 0 0 233.355 3.611 10 0 BHAERN CCO[C@@H]1C[C@@H](Nc2ccccc2C)C1(C)C ZINC000085379713 256770677 /nfs/dbraw/zinc/77/06/77/256770677.db2.gz VXYMDDANBBAGCZ-ZIAGYGMSSA-N 0 0 233.355 3.611 10 0 BHAERN CCO[C@H]1C[C@@H](Nc2ccccc2C)C1(C)C ZINC000085379715 387484919 /nfs/dbraw/zinc/48/49/19/387484919.db2.gz VXYMDDANBBAGCZ-KGLIPLIRSA-N 0 0 233.355 3.611 10 0 BHAERN Cc1cccc(Cl)c1NCC(F)(F)F ZINC000085388438 538538051 /nfs/dbraw/zinc/53/80/51/538538051.db2.gz SETHJMZKUUHXLE-UHFFFAOYSA-N 0 0 223.625 3.623 10 0 BHAERN CC(C)(C)COc1ccc(-c2cn[nH]c2)cc1 ZINC000085391402 518671124 /nfs/dbraw/zinc/67/11/24/518671124.db2.gz JWESIGOEGCPFBC-UHFFFAOYSA-N 0 0 230.311 3.502 10 0 BHAERN CC(C)[C@@H](C)Nc1cc(C(F)(F)F)ccn1 ZINC000085486141 387062002 /nfs/dbraw/zinc/06/20/02/387062002.db2.gz GIQCXCXSVKNTDQ-MRVPVSSYSA-N 0 0 232.249 3.557 10 0 BHAERN CC(C)[C@H](C)Nc1cc(C(F)(F)F)ccn1 ZINC000085486143 387061380 /nfs/dbraw/zinc/06/13/80/387061380.db2.gz GIQCXCXSVKNTDQ-QMMMGPOBSA-N 0 0 232.249 3.557 10 0 BHAERN C=COc1ccc(Br)cc1Cl ZINC000085503410 344690884 /nfs/dbraw/zinc/69/08/84/344690884.db2.gz DTDRVDOUINTSOU-UHFFFAOYSA-N 0 0 233.492 3.625 10 0 BHAERN O=Cc1cccc(SCc2ccccc2)c1 ZINC000085536544 346151703 /nfs/dbraw/zinc/15/17/03/346151703.db2.gz RQUVTMHNOTWFMQ-UHFFFAOYSA-N 0 0 228.316 3.791 10 0 BHAERN C[C@@H](c1ccc(C=O)cc1)C1CCCC1 ZINC000085548000 290790248 /nfs/dbraw/zinc/79/02/48/290790248.db2.gz QCGCDSNAIICAJK-LLVKDONJSA-N 0 0 202.297 3.793 10 0 biogenic,in-vitro BHAERN Nc1ccccc1CNc1ccc(Cl)cc1 ZINC000085572963 356696243 /nfs/dbraw/zinc/69/62/43/356696243.db2.gz VDSJMBXGACRIRH-UHFFFAOYSA-N 0 0 232.714 3.534 10 0 BHAERN CC(C)c1ccccc1NCc1cc[nH]c1 ZINC000085578687 167641371 /nfs/dbraw/zinc/64/13/71/167641371.db2.gz GKNPEANUIUZKJP-UHFFFAOYSA-N 0 0 214.312 3.750 10 0 BHAERN CC(C)(C)[C@H](Nc1ncccn1)c1cccs1 ZINC000085706716 345528608 /nfs/dbraw/zinc/52/86/08/345528608.db2.gz KQQUHILOGFJZQD-LLVKDONJSA-N 0 0 247.367 3.737 10 0 BHAERN CC(C)(C)[C@@H](Nc1ncccn1)c1cccs1 ZINC000085706719 345528635 /nfs/dbraw/zinc/52/86/35/345528635.db2.gz KQQUHILOGFJZQD-NSHDSACASA-N 0 0 247.367 3.737 10 0 BHAERN Cc1ncccc1N[C@@H](C)c1ccsc1 ZINC000085712249 180226172 /nfs/dbraw/zinc/22/61/72/180226172.db2.gz AVMXIAWXRDLOBD-VIFPVBQESA-N 0 0 218.325 3.625 10 0 BHAERN Cc1ncccc1N[C@H](C)c1ccsc1 ZINC000085712253 180227732 /nfs/dbraw/zinc/22/77/32/180227732.db2.gz AVMXIAWXRDLOBD-SECBINFHSA-N 0 0 218.325 3.625 10 0 BHAERN Cc1cc(F)cc(N[C@@H](C)CC(C)C)c1 ZINC000085729564 387505769 /nfs/dbraw/zinc/50/57/69/387505769.db2.gz NWGSXTFZCKNAJW-NSHDSACASA-N 0 0 209.308 3.981 10 0 BHAERN Cc1cc(F)cc(N[C@H](C)CC(C)C)c1 ZINC000085729567 387506897 /nfs/dbraw/zinc/50/68/97/387506897.db2.gz NWGSXTFZCKNAJW-LLVKDONJSA-N 0 0 209.308 3.981 10 0 BHAERN Cc1cnc(Cl)nc1-c1cccc(Cl)c1 ZINC000085788981 347445276 /nfs/dbraw/zinc/44/52/76/347445276.db2.gz JDZICULZYZSABY-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN C/C=C\c1ccc2c(c1)[C@H](C)C(C)(C)O2 ZINC000085897787 571791452 /nfs/dbraw/zinc/79/14/52/571791452.db2.gz YXEPEHFXXORWGP-OMMCCPJFSA-N 0 0 202.297 3.994 10 0 endogenous,in-man BHAERN Cc1ccc(C(C)C)c2ccc(O)cc12 ZINC000085947827 290791471 /nfs/dbraw/zinc/79/14/71/290791471.db2.gz IUYVYWGWLYHKNT-UHFFFAOYSA-N 0 0 200.281 3.977 10 0 biogenic,in-vitro BHAERN C[C@H](NC/C(Cl)=C/Cl)c1cccs1 ZINC000085977693 384582045 /nfs/dbraw/zinc/58/20/45/384582045.db2.gz OSZUCVNHKKTDQR-BJMRUTCWSA-N 0 0 236.167 3.718 10 0 BHAERN C[C@@H](NC/C(Cl)=C/Cl)c1cccs1 ZINC000085977695 384583998 /nfs/dbraw/zinc/58/39/98/384583998.db2.gz OSZUCVNHKKTDQR-BESBCXERSA-N 0 0 236.167 3.718 10 0 BHAERN Cc1ccc([C@@H](C)NC/C(Cl)=C/Cl)o1 ZINC000085978057 384583617 /nfs/dbraw/zinc/58/36/17/384583617.db2.gz KFFKWWGEPXAGPQ-CPJBWDMUSA-N 0 0 234.126 3.558 10 0 BHAERN Cc1ccc([C@H](C)NC/C(Cl)=C/Cl)o1 ZINC000085978059 384978148 /nfs/dbraw/zinc/97/81/48/384978148.db2.gz KFFKWWGEPXAGPQ-HXOPTJOXSA-N 0 0 234.126 3.558 10 0 BHAERN CC[C@@H](C)C(=O)c1cc2ccccc2o1 ZINC000086388938 631469747 /nfs/dbraw/zinc/46/97/47/631469747.db2.gz SKFMUSGGFXZAPW-SECBINFHSA-N 0 0 202.253 3.662 10 0 BHAERN CC[C@H](C)C(=O)c1cc2ccccc2o1 ZINC000086388940 538554746 /nfs/dbraw/zinc/55/47/46/538554746.db2.gz SKFMUSGGFXZAPW-VIFPVBQESA-N 0 0 202.253 3.662 10 0 BHAERN CC[C@@H](C)C(=O)CSc1cccc(F)c1 ZINC000086389166 538555000 /nfs/dbraw/zinc/55/50/00/538555000.db2.gz IRCSSRHFLZYIFE-SECBINFHSA-N 0 0 226.316 3.533 10 0 BHAERN CC[C@H](C)C(=O)CSc1cccc(F)c1 ZINC000086389168 538555035 /nfs/dbraw/zinc/55/50/35/538555035.db2.gz IRCSSRHFLZYIFE-VIFPVBQESA-N 0 0 226.316 3.533 10 0 BHAERN Clc1ncc(Cl)c(Oc2ccccc2)n1 ZINC000086621729 385029967 /nfs/dbraw/zinc/02/99/67/385029967.db2.gz UPTRFEZXEXCWTM-UHFFFAOYSA-N 0 0 241.077 3.576 10 0 BHAERN CCc1nc2cc(N[C@H]3CCC[C@@H]3C)ccc2o1 ZINC000086675218 256570360 /nfs/dbraw/zinc/57/03/60/256570360.db2.gz SZWACOMYEVPEDY-JQWIXIFHSA-N 0 0 244.338 3.991 10 0 BHAERN Cc1cc(F)cc([C@@H]2CCCCCC2=O)c1 ZINC000086693783 644163967 /nfs/dbraw/zinc/16/39/67/644163967.db2.gz WDONHAUODAVWLI-ZDUSSCGKSA-N 0 0 220.287 3.751 10 0 BHAERN Cc1cc(F)cc([C@H]2CCCCCC2=O)c1 ZINC000086693785 644164773 /nfs/dbraw/zinc/16/47/73/644164773.db2.gz WDONHAUODAVWLI-CYBMUJFWSA-N 0 0 220.287 3.751 10 0 BHAERN COc1cc(-c2ccccc2N)ccc1Cl ZINC000086698245 487532067 /nfs/dbraw/zinc/53/20/67/487532067.db2.gz HMLWEFQEEFBVOT-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN CC[C@H](Nc1ncc(Cl)cc1F)C(C)C ZINC000086710513 388410913 /nfs/dbraw/zinc/41/09/13/388410913.db2.gz PSZUFMFADFGXPT-JTQLQIEISA-N 0 0 230.714 3.721 10 0 BHAERN CC[C@@H](Nc1ncc(Cl)cc1F)C(C)C ZINC000086710517 385041128 /nfs/dbraw/zinc/04/11/28/385041128.db2.gz PSZUFMFADFGXPT-SNVBAGLBSA-N 0 0 230.714 3.721 10 0 BHAERN Cc1cc(-c2ccccc2N)c(F)cc1F ZINC000086723236 487535528 /nfs/dbraw/zinc/53/55/28/487535528.db2.gz KRAMBPFQZHJYNW-UHFFFAOYSA-N 0 0 219.234 3.522 10 0 BHAERN C[C@H](Nc1ccncc1Cl)c1cccs1 ZINC000086831184 388512447 /nfs/dbraw/zinc/51/24/47/388512447.db2.gz ZLOGEUGVMMYIBS-QMMMGPOBSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](Nc1ccncc1Cl)c1cccs1 ZINC000086831185 388512527 /nfs/dbraw/zinc/51/25/27/388512527.db2.gz ZLOGEUGVMMYIBS-MRVPVSSYSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@H](Nc1ccncc1Cl)C1CCCC1 ZINC000086839353 388512934 /nfs/dbraw/zinc/51/29/34/388512934.db2.gz CEIXTIXYJBNAAL-VIFPVBQESA-N 0 0 224.735 3.726 10 0 BHAERN C[C@@H](Nc1ccncc1Cl)C1CCCC1 ZINC000086839355 388512601 /nfs/dbraw/zinc/51/26/01/388512601.db2.gz CEIXTIXYJBNAAL-SECBINFHSA-N 0 0 224.735 3.726 10 0 BHAERN C[C@H]1SC(c2ccco2)S[C@H]1C ZINC000086861243 385054917 /nfs/dbraw/zinc/05/49/17/385054917.db2.gz BPTOOYDRQLZHSC-AVSFMBPQSA-N 0 0 200.328 3.535 10 0 BHAERN C[C@@H]1SC(c2ccco2)S[C@H]1C ZINC000086861244 176488249 /nfs/dbraw/zinc/48/82/49/176488249.db2.gz BPTOOYDRQLZHSC-BQBZGAKWSA-N 0 0 200.328 3.535 10 0 BHAERN C[C@H]1SC(c2ccco2)S[C@@H]1C ZINC000086861245 385053985 /nfs/dbraw/zinc/05/39/85/385053985.db2.gz BPTOOYDRQLZHSC-RNFRBKRXSA-N 0 0 200.328 3.535 10 0 BHAERN Brc1cc2cccccc-2c1 ZINC000086862162 166095543 /nfs/dbraw/zinc/09/55/43/166095543.db2.gz ODMXMWPTFILDLI-UHFFFAOYSA-N 0 0 207.070 3.554 10 0 BHAERN Oc1ccc(Cc2ccc3ccccc3n2)cc1 ZINC000086863237 183272183 /nfs/dbraw/zinc/27/21/83/183272183.db2.gz NXKZICIMXQHCNJ-UHFFFAOYSA-N 0 0 235.286 3.531 10 0 BHAERN C[C@H](NC(=O)C=C1CCC1)c1cccc(Cl)c1 ZINC000086999392 176788628 /nfs/dbraw/zinc/78/86/28/176788628.db2.gz QHVLDNJWHMMJDM-JTQLQIEISA-N 0 0 249.741 3.628 10 0 BHAERN CCc1ccc([C@@H](C)NC(=O)C=C2CCC2)cc1 ZINC000087001235 644437909 /nfs/dbraw/zinc/43/79/09/644437909.db2.gz GEHJNLHODBXOSR-GFCCVEGCSA-N 0 0 243.350 3.537 10 0 BHAERN CCc1ccc([C@H](C)NC(=O)C=C2CCC2)cc1 ZINC000087001236 644438409 /nfs/dbraw/zinc/43/84/09/644438409.db2.gz GEHJNLHODBXOSR-LBPRGKRZSA-N 0 0 243.350 3.537 10 0 BHAERN O[C@H](c1ccsc1)c1ccc(C2CC2)cc1 ZINC000087012839 344227259 /nfs/dbraw/zinc/22/72/59/344227259.db2.gz NFUIQMSOWVNMHU-AWEZNQCLSA-N 0 0 230.332 3.707 10 0 BHAERN O[C@@H](c1ccsc1)c1ccc(C2CC2)cc1 ZINC000087012841 344227201 /nfs/dbraw/zinc/22/72/01/344227201.db2.gz NFUIQMSOWVNMHU-CQSZACIVSA-N 0 0 230.332 3.707 10 0 BHAERN Cc1ccsc1-c1ccccc1C=O ZINC000087018983 644477397 /nfs/dbraw/zinc/47/73/97/644477397.db2.gz PNJRRFZKALNINW-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN C[C@H](Nc1nccs1)c1cc(F)ccc1F ZINC000087031390 644493788 /nfs/dbraw/zinc/49/37/88/644493788.db2.gz YBSLPWMZNVPDTO-ZETCQYMHSA-N 0 0 240.278 3.594 10 0 BHAERN C[C@@H](Nc1nccs1)c1cc(F)ccc1F ZINC000087031392 644496401 /nfs/dbraw/zinc/49/64/01/644496401.db2.gz YBSLPWMZNVPDTO-SSDOTTSWSA-N 0 0 240.278 3.594 10 0 BHAERN CC(=O)CCCCSc1cccc(F)c1 ZINC000087112126 538563722 /nfs/dbraw/zinc/56/37/22/538563722.db2.gz KWFKARLHCNPDHD-UHFFFAOYSA-N 0 0 226.316 3.677 10 0 BHAERN CC[C@H](C)C[C@H](O)c1cccc2c1OC(C)(C)C2 ZINC000087184358 171299079 /nfs/dbraw/zinc/29/90/79/171299079.db2.gz QYVOZJUXFHTZJQ-FZMZJTMJSA-N 0 0 248.366 3.870 10 0 BHAERN CCC(=O)CSCc1cc(C)cc(C)c1 ZINC000087196970 538564677 /nfs/dbraw/zinc/56/46/77/538564677.db2.gz LNJLVLKJFKTVNS-UHFFFAOYSA-N 0 0 222.353 3.516 10 0 BHAERN Cc1ccc([C@@H](C)Nc2nccs2)cc1F ZINC000087284326 644486928 /nfs/dbraw/zinc/48/69/28/644486928.db2.gz INEOIGDUFGTIHB-SECBINFHSA-N 0 0 236.315 3.764 10 0 BHAERN Cc1ccc([C@H](C)Nc2nccs2)cc1F ZINC000087284327 644487779 /nfs/dbraw/zinc/48/77/79/644487779.db2.gz INEOIGDUFGTIHB-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1ccoc1 ZINC000087289558 322874706 /nfs/dbraw/zinc/87/47/06/322874706.db2.gz UVPJDDIHEDTUOQ-NSHDSACASA-N 0 0 201.269 3.761 10 0 BHAERN Cc1ccccc1N[C@H](C)c1ccoc1 ZINC000087289559 384931868 /nfs/dbraw/zinc/93/18/68/384931868.db2.gz UVPJDDIHEDTUOQ-LLVKDONJSA-N 0 0 201.269 3.761 10 0 BHAERN O=Cc1ccccc1-c1ccc(Cl)s1 ZINC000087337043 640873827 /nfs/dbraw/zinc/87/38/27/640873827.db2.gz ZVPWUNDTENJLOO-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN CCCCCNc1cccc2ccncc21 ZINC000087377571 325633241 /nfs/dbraw/zinc/63/32/41/325633241.db2.gz YGMRKDHSGGTRMW-UHFFFAOYSA-N 0 0 214.312 3.837 10 0 BHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc(Cl)c1 ZINC000087406643 180381129 /nfs/dbraw/zinc/38/11/29/180381129.db2.gz WFNBYLLJACONBT-SECBINFHSA-N 0 0 249.745 3.555 10 0 BHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc(Cl)c1 ZINC000087406645 180382488 /nfs/dbraw/zinc/38/24/88/180382488.db2.gz WFNBYLLJACONBT-VIFPVBQESA-N 0 0 249.745 3.555 10 0 BHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(Cl)cc1 ZINC000087406649 180380620 /nfs/dbraw/zinc/38/06/20/180380620.db2.gz ZMLWOWNHGUYGPX-SECBINFHSA-N 0 0 249.745 3.555 10 0 BHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(Cl)cc1 ZINC000087406651 180383563 /nfs/dbraw/zinc/38/35/63/180383563.db2.gz ZMLWOWNHGUYGPX-VIFPVBQESA-N 0 0 249.745 3.555 10 0 BHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc(C)c1C ZINC000087406753 179152748 /nfs/dbraw/zinc/15/27/48/179152748.db2.gz XEMSORIQWZMKTA-LBPRGKRZSA-N 0 0 243.354 3.518 10 0 BHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc(C)c1C ZINC000087406755 179155880 /nfs/dbraw/zinc/15/58/80/179155880.db2.gz XEMSORIQWZMKTA-GFCCVEGCSA-N 0 0 243.354 3.518 10 0 BHAERN Cc1ccc2c(c1)NC[C@@H](c1ccsc1)O2 ZINC000087504374 178947680 /nfs/dbraw/zinc/94/76/80/178947680.db2.gz NVJYKAJYWOJEHV-ZDUSSCGKSA-N 0 0 231.320 3.602 10 0 BHAERN CC[C@@H](C)C(=O)CSCc1ccccc1 ZINC000087537290 538568465 /nfs/dbraw/zinc/56/84/65/538568465.db2.gz PFKCWFAJOPZEFV-LLVKDONJSA-N 0 0 222.353 3.535 10 0 BHAERN CC[C@H](C)C(=O)CSCc1ccccc1 ZINC000087537291 538568562 /nfs/dbraw/zinc/56/85/62/538568562.db2.gz PFKCWFAJOPZEFV-NSHDSACASA-N 0 0 222.353 3.535 10 0 BHAERN CCc1ccc([C@H](C)Nc2nc(C)ns2)cc1 ZINC000087632484 359920710 /nfs/dbraw/zinc/92/07/10/359920710.db2.gz AACJQNGALSSLIF-VIFPVBQESA-N 0 0 247.367 3.582 10 0 BHAERN CCc1nsc(N[C@@H](C)c2ccccc2C)n1 ZINC000087641310 359921769 /nfs/dbraw/zinc/92/17/69/359921769.db2.gz BDGAKZRXTYMJCQ-JTQLQIEISA-N 0 0 247.367 3.582 10 0 BHAERN CCc1nsc(N[C@H](C)c2ccccc2C)n1 ZINC000087641311 359921751 /nfs/dbraw/zinc/92/17/51/359921751.db2.gz BDGAKZRXTYMJCQ-SNVBAGLBSA-N 0 0 247.367 3.582 10 0 BHAERN COc1ccc2[nH]c3c(c2c1)CCCCCC3 ZINC000087818988 368899542 /nfs/dbraw/zinc/89/95/42/368899542.db2.gz CCBKYTWGVXVSJE-UHFFFAOYSA-N 0 0 229.323 3.836 10 0 BHAERN CC[C@@H]1CCC[C@H](C(=O)c2ccc(C)nc2)C1 ZINC000087984398 170993208 /nfs/dbraw/zinc/99/32/08/170993208.db2.gz HEGHFDHOKVFPSB-OLZOCXBDSA-N 0 0 231.339 3.789 10 0 BHAERN CC1(C)CNc2cc(Cl)cc(Cl)c21 ZINC000088107808 644510232 /nfs/dbraw/zinc/51/02/32/644510232.db2.gz USFRXPUKXZARFT-UHFFFAOYSA-N 0 0 216.111 3.697 10 0 BHAERN CC1(C)CNc2c1c(Cl)ccc2Cl ZINC000088107809 644509883 /nfs/dbraw/zinc/50/98/83/644509883.db2.gz GEHKKHLLSGAHLH-UHFFFAOYSA-N 0 0 216.111 3.697 10 0 BHAERN CCCCc1ccc2c(c1)C(C)(C)CN2 ZINC000088107822 644509778 /nfs/dbraw/zinc/50/97/78/644509778.db2.gz MVQAYUYKILXUPL-UHFFFAOYSA-N 0 0 203.329 3.732 10 0 BHAERN CC1(C)CNc2c1ccc(Cl)c2Cl ZINC000088107826 644509299 /nfs/dbraw/zinc/50/92/99/644509299.db2.gz FXXTZJFQXHJLGJ-UHFFFAOYSA-N 0 0 216.111 3.697 10 0 BHAERN CC[C@@H](C)c1ccc2c(c1)C(C)(C)CN2 ZINC000088107834 644510166 /nfs/dbraw/zinc/51/01/66/644510166.db2.gz XEGULMGKOROJGI-SNVBAGLBSA-N 0 0 203.329 3.903 10 0 BHAERN CC[C@H](C)c1ccc2c(c1)C(C)(C)CN2 ZINC000088107835 644509198 /nfs/dbraw/zinc/50/91/98/644509198.db2.gz XEGULMGKOROJGI-JTQLQIEISA-N 0 0 203.329 3.903 10 0 BHAERN Nc1cc(Cl)ccc1-c1ccc(F)cc1 ZINC000088123301 362903492 /nfs/dbraw/zinc/90/34/92/362903492.db2.gz GWUQTBILEPUDCU-UHFFFAOYSA-N 0 0 221.662 3.728 10 0 BHAERN Cc1cccc(-c2cc(Cl)ccc2N)c1 ZINC000088123327 178991977 /nfs/dbraw/zinc/99/19/77/178991977.db2.gz UXHOALWKQPIRHO-UHFFFAOYSA-N 0 0 217.699 3.898 10 0 BHAERN CCc1cc(Br)ccc1NC(C)C ZINC000088125441 368904605 /nfs/dbraw/zinc/90/46/05/368904605.db2.gz MLXHCKKNAFXJDZ-UHFFFAOYSA-N 0 0 242.160 3.832 10 0 BHAERN CCc1cc(-c2cccs2)ccc1N ZINC000088125625 344237933 /nfs/dbraw/zinc/23/79/33/344237933.db2.gz VMFOQMMQKASTTM-UHFFFAOYSA-N 0 0 203.310 3.560 10 0 BHAERN CCc1cc(-c2ccsc2)ccc1N ZINC000088125647 362904923 /nfs/dbraw/zinc/90/49/23/362904923.db2.gz BNZKGYZPXZJJKZ-UHFFFAOYSA-N 0 0 203.310 3.560 10 0 BHAERN Cc1cccc([C@@H](C)NC/C(Cl)=C/Cl)c1 ZINC000088162223 641318829 /nfs/dbraw/zinc/31/88/29/641318829.db2.gz FGSVABQLLIZJKH-VPMLRQHESA-N 0 0 244.165 3.965 10 0 BHAERN Cc1cccc([C@H](C)NC/C(Cl)=C/Cl)c1 ZINC000088162277 641319573 /nfs/dbraw/zinc/31/95/73/641319573.db2.gz FGSVABQLLIZJKH-BZPKPHBRSA-N 0 0 244.165 3.965 10 0 BHAERN Cc1cccc([C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000088162350 641319194 /nfs/dbraw/zinc/31/91/94/641319194.db2.gz FNZPKYQYCUNWDK-LLVKDONJSA-N 0 0 235.327 3.581 10 0 BHAERN Cc1cccc([C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000088162354 641318762 /nfs/dbraw/zinc/31/87/62/641318762.db2.gz FNZPKYQYCUNWDK-NSHDSACASA-N 0 0 235.327 3.581 10 0 BHAERN Fc1cccc(C2SCCCS2)c1 ZINC000088190179 180995284 /nfs/dbraw/zinc/99/52/84/180995284.db2.gz FFQFYDRRUQYEKL-UHFFFAOYSA-N 0 0 214.330 3.694 10 0 BHAERN CC/C=C(/C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088233604 644514692 /nfs/dbraw/zinc/51/46/92/644514692.db2.gz HARBVSUDYVUFHR-DSDFTUOUSA-N 0 0 249.329 3.668 10 0 BHAERN CCCCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088234851 383949998 /nfs/dbraw/zinc/94/99/98/383949998.db2.gz CKUGLDNDKWWXRH-NSHDSACASA-N 0 0 237.318 3.502 10 0 BHAERN COC(C)(OC)c1sccc1-c1ccccc1 ZINC000088246608 368336813 /nfs/dbraw/zinc/33/68/13/368336813.db2.gz KUFQQALJJMXDJM-UHFFFAOYSA-N 0 0 248.347 3.881 10 0 BHAERN CC1(c2cc(F)c(N)cc2O)CCCCCC1 ZINC000088259914 345751880 /nfs/dbraw/zinc/75/18/80/345751880.db2.gz VGPBRKVDFYUOSH-UHFFFAOYSA-N 0 0 237.318 3.725 10 0 BHAERN COC(=O)Oc1ccc(C(C)(C)C)cc1Cl ZINC000088259921 345751663 /nfs/dbraw/zinc/75/16/63/345751663.db2.gz RREVWEXXOMAZPL-UHFFFAOYSA-N 0 0 242.702 3.783 10 0 BHAERN COc1cc(N)c(C(F)(F)F)cc1C(C)(C)C ZINC000088259937 345752166 /nfs/dbraw/zinc/75/21/66/345752166.db2.gz RRPNUTSVXCFEQN-UHFFFAOYSA-N 0 0 247.260 3.594 10 0 BHAERN Cc1nc(N)sc1-c1cccc(C(C)(C)C)c1 ZINC000088264011 356645395 /nfs/dbraw/zinc/64/53/95/356645395.db2.gz BAWRCJKSHISJMZ-UHFFFAOYSA-N 0 0 246.379 3.998 10 0 BHAERN Nc1ncc(-c2ccccc2-c2ccccc2)o1 ZINC000088264899 345943541 /nfs/dbraw/zinc/94/35/41/345943541.db2.gz KOLBVAJFUNZULQ-UHFFFAOYSA-N 0 0 236.274 3.591 10 0 BHAERN Nc1ncc(-c2cccc(-c3ccccc3)c2)o1 ZINC000088264904 345943730 /nfs/dbraw/zinc/94/37/30/345943730.db2.gz ZNGSQFZFQNTPEX-UHFFFAOYSA-N 0 0 236.274 3.591 10 0 BHAERN Cc1ccsc1-c1ccc(C=O)cc1 ZINC000088278177 383892675 /nfs/dbraw/zinc/89/26/75/383892675.db2.gz ZFAIGXDXRXMCGA-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN Cc1ccsc1-c1cccc(C=O)c1 ZINC000088278179 641332308 /nfs/dbraw/zinc/33/23/08/641332308.db2.gz CCECTYROYIXGSD-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN Cc1ccc([C@@H](C)Nc2nccs2)c(C)c1 ZINC000088300692 644516514 /nfs/dbraw/zinc/51/65/14/644516514.db2.gz LUXDFGRFKLTRPB-LLVKDONJSA-N 0 0 232.352 3.933 10 0 BHAERN Cc1ccc([C@H](C)Nc2nccs2)c(C)c1 ZINC000088300694 644516173 /nfs/dbraw/zinc/51/61/73/644516173.db2.gz LUXDFGRFKLTRPB-NSHDSACASA-N 0 0 232.352 3.933 10 0 BHAERN Cc1ccc(-c2cccc3ocnc32)cc1 ZINC000088323522 178326544 /nfs/dbraw/zinc/32/65/44/178326544.db2.gz HPZHWXDNBQMYSM-UHFFFAOYSA-N 0 0 209.248 3.803 10 0 BHAERN C[C@H](Nc1nccs1)c1ccc(F)c(F)c1 ZINC000088362377 644517249 /nfs/dbraw/zinc/51/72/49/644517249.db2.gz OPRMBCFAKXRTNY-ZETCQYMHSA-N 0 0 240.278 3.594 10 0 BHAERN C[C@@H](Nc1nccs1)c1ccc(F)c(F)c1 ZINC000088362379 644517901 /nfs/dbraw/zinc/51/79/01/644517901.db2.gz OPRMBCFAKXRTNY-SSDOTTSWSA-N 0 0 240.278 3.594 10 0 BHAERN C[C@H](Nc1nccs1)c1ccc(F)cc1F ZINC000088362387 644517459 /nfs/dbraw/zinc/51/74/59/644517459.db2.gz ZZVDEEKXIFYJLH-ZETCQYMHSA-N 0 0 240.278 3.594 10 0 BHAERN C[C@@H](Nc1nccs1)c1ccc(F)cc1F ZINC000088362389 644517500 /nfs/dbraw/zinc/51/75/00/644517500.db2.gz ZZVDEEKXIFYJLH-SSDOTTSWSA-N 0 0 240.278 3.594 10 0 BHAERN O=C1Nc2ccccc2Sc2ccc(F)cc21 ZINC000088369780 182825732 /nfs/dbraw/zinc/82/57/32/182825732.db2.gz BHJJFXMGSTZHIG-UHFFFAOYSA-N 0 0 245.278 3.543 10 0 BHAERN CCC(CC)n1cc(C)c2cnc(Cl)nc21 ZINC000088384031 168414719 /nfs/dbraw/zinc/41/47/19/168414719.db2.gz ORRREBLUXQMYQY-UHFFFAOYSA-N 0 0 237.734 3.754 10 0 BHAERN CCC(CC)n1c(C)cc2cnc(Cl)nc21 ZINC000088384089 383897870 /nfs/dbraw/zinc/89/78/70/383897870.db2.gz PJXISGLJRLXGRA-UHFFFAOYSA-N 0 0 237.734 3.754 10 0 BHAERN CC[C@@H](C)c1ccc(-c2cccnc2N)cc1 ZINC000088446914 387171112 /nfs/dbraw/zinc/17/11/12/387171112.db2.gz JQEIDEFOVFBBPF-LLVKDONJSA-N 0 0 226.323 3.844 10 0 BHAERN CC[C@H](C)c1ccc(-c2cccnc2N)cc1 ZINC000088446915 387171711 /nfs/dbraw/zinc/17/17/11/387171711.db2.gz JQEIDEFOVFBBPF-NSHDSACASA-N 0 0 226.323 3.844 10 0 BHAERN Cc1ccc([C@@H](C)Nc2ccccn2)cc1F ZINC000088521435 359963918 /nfs/dbraw/zinc/96/39/18/359963918.db2.gz RMXJIMQYOJXCSJ-LLVKDONJSA-N 0 0 230.286 3.702 10 0 BHAERN Cc1ccc([C@H](C)Nc2ccccn2)cc1F ZINC000088521436 359964527 /nfs/dbraw/zinc/96/45/27/359964527.db2.gz RMXJIMQYOJXCSJ-NSHDSACASA-N 0 0 230.286 3.702 10 0 BHAERN Clc1cccc(/C=C/Br)c1 ZINC000088613864 383918575 /nfs/dbraw/zinc/91/85/75/383918575.db2.gz CDPDVBVBLJTZEI-SNAWJCMRSA-N 0 0 217.493 3.706 10 0 BHAERN Clc1ccccc1/C=C/Br ZINC000088613867 383918099 /nfs/dbraw/zinc/91/80/99/383918099.db2.gz GPCNKFPFMMMJBW-AATRIKPKSA-N 0 0 217.493 3.706 10 0 BHAERN Clc1cncc(-c2cccc3ccccc32)n1 ZINC000088674288 180599308 /nfs/dbraw/zinc/59/93/08/180599308.db2.gz CEBYHKSNZQEKPF-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN Clc1cncc(-c2ccc3ccccc3c2)n1 ZINC000088674575 180598913 /nfs/dbraw/zinc/59/89/13/180598913.db2.gz IRRFYAJVGXBALD-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN CCc1cc(N[C@@H](C)c2cccs2)nc(C)n1 ZINC000088760141 491108237 /nfs/dbraw/zinc/10/82/37/491108237.db2.gz SLDRPHOKYWVKFQ-VIFPVBQESA-N 0 0 247.367 3.582 10 0 BHAERN CC(C)(C)OC(=O)/C=C/c1cccc(Cl)c1 ZINC000089063982 343764812 /nfs/dbraw/zinc/76/48/12/343764812.db2.gz VRLBGJQYPDMQPV-BQYQJAHWSA-N 0 0 238.714 3.695 10 0 BHAERN Clc1nc2c(cccc2-c2ccccc2)[nH]1 ZINC000089195089 188144151 /nfs/dbraw/zinc/14/41/51/188144151.db2.gz SEPDVMPNWDTJLE-UHFFFAOYSA-N 0 0 228.682 3.883 10 0 BHAERN c1nc2cc(OCC3CCCCC3)ccc2[nH]1 ZINC000089195157 383942140 /nfs/dbraw/zinc/94/21/40/383942140.db2.gz IDJFLPBFHVMJLL-UHFFFAOYSA-N 0 0 230.311 3.522 10 0 BHAERN c1nc2cc(Sc3ccccc3)ccc2[nH]1 ZINC000089195171 383941040 /nfs/dbraw/zinc/94/10/40/383941040.db2.gz JNQQNFFWBXOYNN-UHFFFAOYSA-N 0 0 226.304 3.714 10 0 BHAERN c1nc2c(cccc2NCc2ccccc2)s1 ZINC000089195228 383942299 /nfs/dbraw/zinc/94/22/99/383942299.db2.gz WEHOOUFEYFHLSO-UHFFFAOYSA-N 0 0 240.331 3.908 10 0 BHAERN c1nc2c(cccc2-c2ccccc2)s1 ZINC000089195240 183381085 /nfs/dbraw/zinc/38/10/85/183381085.db2.gz RILRYAJSOCTFBV-UHFFFAOYSA-N 0 0 211.289 3.963 10 0 BHAERN c1nc2cc(Cc3ccccc3)ccc2s1 ZINC000089195249 383941745 /nfs/dbraw/zinc/94/17/45/383941745.db2.gz COKWQFWILOFXRJ-UHFFFAOYSA-N 0 0 225.316 3.887 10 0 BHAERN CSC(=O)[C@@H](C)c1cccc2sccc21 ZINC000089195282 383941327 /nfs/dbraw/zinc/94/13/27/383941327.db2.gz DJIWZALFGSUVIE-QMMMGPOBSA-N 0 0 236.361 3.894 10 0 BHAERN CSC(=O)[C@H](C)c1cccc2sccc21 ZINC000089195283 383940301 /nfs/dbraw/zinc/94/03/01/383940301.db2.gz DJIWZALFGSUVIE-MRVPVSSYSA-N 0 0 236.361 3.894 10 0 BHAERN CN(C)C(=O)Sc1cccc2sccc21 ZINC000089195284 172384227 /nfs/dbraw/zinc/38/42/27/172384227.db2.gz XXWOPLUVGQFBPQ-UHFFFAOYSA-N 0 0 237.349 3.675 10 0 BHAERN CC(C)(O)/C=C/c1cccc2sccc21 ZINC000089195299 188318118 /nfs/dbraw/zinc/31/81/18/188318118.db2.gz NEVTUCLBGALQPV-SOFGYWHQSA-N 0 0 218.321 3.685 10 0 BHAERN FC(F)(F)c1cccc2sccc21 ZINC000089195304 180896157 /nfs/dbraw/zinc/89/61/57/180896157.db2.gz RVGWMMADPYJFKV-UHFFFAOYSA-N 0 0 202.200 3.920 10 0 BHAERN FC(F)(F)Oc1ccc2sccc2c1 ZINC000089195331 383940787 /nfs/dbraw/zinc/94/07/87/383940787.db2.gz NCLMVJMIBHEDGI-UHFFFAOYSA-N 0 0 218.199 3.800 10 0 BHAERN CCCC(=O)c1ccc2sccc2c1 ZINC000089195351 168572590 /nfs/dbraw/zinc/57/25/90/168572590.db2.gz NKZLKBWKUFFTTE-UHFFFAOYSA-N 0 0 204.294 3.884 10 0 BHAERN CC(C)[C@H](O)c1ccc2sccc2c1 ZINC000089195361 191020336 /nfs/dbraw/zinc/02/03/36/191020336.db2.gz XMFOOHJIFDXWMP-LBPRGKRZSA-N 0 0 206.310 3.591 10 0 BHAERN CC(C)[C@@H](O)c1ccc2sccc2c1 ZINC000089195362 383942218 /nfs/dbraw/zinc/94/22/18/383942218.db2.gz XMFOOHJIFDXWMP-GFCCVEGCSA-N 0 0 206.310 3.591 10 0 BHAERN CCC(O)(CC)c1ccc2ccsc2c1 ZINC000089195368 368938050 /nfs/dbraw/zinc/93/80/50/368938050.db2.gz FWLWYHOQPNOTMQ-UHFFFAOYSA-N 0 0 220.337 3.909 10 0 BHAERN CC(C)(C)C(=O)Oc1ccc2ccsc2c1 ZINC000089195401 166537025 /nfs/dbraw/zinc/53/70/25/166537025.db2.gz JFIIRIAJIUDCPA-UHFFFAOYSA-N 0 0 234.320 3.853 10 0 BHAERN Oc1cccc2[nH]nc(-c3ccccc3Cl)c21 ZINC000089195802 183294178 /nfs/dbraw/zinc/29/41/78/183294178.db2.gz CPAONUPYGIKJPK-UHFFFAOYSA-N 0 0 244.681 3.589 10 0 BHAERN Oc1cccc2[nH]nc(-c3cccc(Cl)c3)c21 ZINC000089195808 183294754 /nfs/dbraw/zinc/29/47/54/183294754.db2.gz IPVHGYRFAMALHY-UHFFFAOYSA-N 0 0 244.681 3.589 10 0 BHAERN CCCC(C)(C)C(=O)c1n[nH]c2ccccc21 ZINC000089196187 383941229 /nfs/dbraw/zinc/94/12/29/383941229.db2.gz LRFJGOJXPSVANX-UHFFFAOYSA-N 0 0 230.311 3.572 10 0 BHAERN c1ccc(Sc2n[nH]c3ccccc32)cc1 ZINC000089196194 383942359 /nfs/dbraw/zinc/94/23/59/383942359.db2.gz VXMFNXKFBWPUNZ-UHFFFAOYSA-N 0 0 226.304 3.714 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Oc1ccc2n[nH]cc2c1 ZINC000089196734 176083059 /nfs/dbraw/zinc/08/30/59/176083059.db2.gz FAWFEBOESNROGW-YGRLFVJLSA-N 0 0 230.311 3.520 10 0 BHAERN C[C@H]1CCCC[C@@H]1Oc1ccc2n[nH]cc2c1 ZINC000089196737 177084468 /nfs/dbraw/zinc/08/44/68/177084468.db2.gz FAWFEBOESNROGW-HZMBPMFUSA-N 0 0 230.311 3.520 10 0 BHAERN C[C@@H]1CCCC[C@H]1Oc1ccc2n[nH]cc2c1 ZINC000089196740 176089953 /nfs/dbraw/zinc/08/99/53/176089953.db2.gz FAWFEBOESNROGW-QMTHXVAHSA-N 0 0 230.311 3.520 10 0 BHAERN C[C@H]1CCCC[C@H]1Oc1ccc2n[nH]cc2c1 ZINC000089196742 177090375 /nfs/dbraw/zinc/09/03/75/177090375.db2.gz FAWFEBOESNROGW-IINYFYTJSA-N 0 0 230.311 3.520 10 0 BHAERN c1[nH]nc2ccc(OCC3CCCCC3)cc12 ZINC000089196785 183364899 /nfs/dbraw/zinc/36/48/99/183364899.db2.gz HUMVAGZZGMLCHN-UHFFFAOYSA-N 0 0 230.311 3.522 10 0 BHAERN Fc1ccc(Sc2ccc3n[nH]cc3c2)cc1 ZINC000089196809 180981928 /nfs/dbraw/zinc/98/19/28/180981928.db2.gz BCGSFCVPABZGBK-UHFFFAOYSA-N 0 0 244.294 3.853 10 0 BHAERN Clc1ccc(Cc2cn3ccccc3n2)cc1 ZINC000089200881 383944257 /nfs/dbraw/zinc/94/42/57/383944257.db2.gz CJEZXISGEMNLDO-UHFFFAOYSA-N 0 0 242.709 3.579 10 0 BHAERN CSc1ccc(-c2ccc3nccn3c2)cc1 ZINC000089201331 191020573 /nfs/dbraw/zinc/02/05/73/191020573.db2.gz RTHDLANSBUTJLX-UHFFFAOYSA-N 0 0 240.331 3.723 10 0 BHAERN Clc1cc(-c2ccccc2)cc2nccn21 ZINC000089202370 383944793 /nfs/dbraw/zinc/94/47/93/383944793.db2.gz ZRSMCAGBDZUQCR-UHFFFAOYSA-N 0 0 228.682 3.655 10 0 BHAERN c1c[nH]c(-c2ccccc2Cc2ccccc2)n1 ZINC000089202460 383944738 /nfs/dbraw/zinc/94/47/38/383944738.db2.gz ZCYCPOCOWWFHSX-UHFFFAOYSA-N 0 0 234.302 3.668 10 0 BHAERN c1c[nH]c(-c2ccccc2-c2ccccc2)n1 ZINC000089202473 183380692 /nfs/dbraw/zinc/38/06/92/183380692.db2.gz YGXWGJOSMIVENQ-UHFFFAOYSA-N 0 0 220.275 3.744 10 0 BHAERN O=Cc1cccc(-c2ccc(-c3ncc[nH]3)cc2)c1 ZINC000089202546 383943131 /nfs/dbraw/zinc/94/31/31/383943131.db2.gz XHGWZFRZGILTGX-UHFFFAOYSA-N 0 0 248.285 3.556 10 0 BHAERN Fc1ccc(-c2ccccc2-c2ncc[nH]2)cc1 ZINC000089202701 383944297 /nfs/dbraw/zinc/94/42/97/383944297.db2.gz KIURHFKFSOWXRA-UHFFFAOYSA-N 0 0 238.265 3.883 10 0 BHAERN CCc1c[nH]c2c1cccc2C(F)(F)F ZINC000089203977 383947811 /nfs/dbraw/zinc/94/78/11/383947811.db2.gz GIDIWRZPMOHKCB-UHFFFAOYSA-N 0 0 213.202 3.749 10 0 BHAERN Clc1c[nH]c2c1cccc2Br ZINC000089204150 383946183 /nfs/dbraw/zinc/94/61/83/383946183.db2.gz WXMBGCAWEUPBEW-UHFFFAOYSA-N 0 0 230.492 3.584 10 0 BHAERN FC(F)(F)c1c2cc[nH]c2ccc1Cl ZINC000089204444 180890692 /nfs/dbraw/zinc/89/06/92/180890692.db2.gz QPBRBWRNQVKXGR-UHFFFAOYSA-N 0 0 219.593 3.840 10 0 BHAERN CCc1cc(C(F)(F)F)cc2[nH]ccc21 ZINC000089204480 383947430 /nfs/dbraw/zinc/94/74/30/383947430.db2.gz OTRXVQNDKADPBQ-UHFFFAOYSA-N 0 0 213.202 3.749 10 0 BHAERN O=C(c1ccc2[nH]ccc2c1)C1CCCCC1 ZINC000089208782 182665327 /nfs/dbraw/zinc/66/53/27/182665327.db2.gz ZDSPURURKNYSBA-UHFFFAOYSA-N 0 0 227.307 3.931 10 0 BHAERN CC(C)(C)OC(=O)n1ccc2cccc(F)c21 ZINC000089209162 383947106 /nfs/dbraw/zinc/94/71/06/383947106.db2.gz LYXBMZGDRBLUQT-UHFFFAOYSA-N 0 0 235.258 3.564 10 0 BHAERN c1cc2cccc(COCc3ccccc3)c2[nH]1 ZINC000089209303 383947763 /nfs/dbraw/zinc/94/77/63/383947763.db2.gz NHALDCNEOWNYDR-UHFFFAOYSA-N 0 0 237.302 3.885 10 0 BHAERN CCC/C(=C\c1cccc2cc[nH]c21)[N+](=O)[O-] ZINC000089209315 383946744 /nfs/dbraw/zinc/94/67/44/383946744.db2.gz SQXGDXROBONBKK-FMIVXFBMSA-N 0 0 230.267 3.586 10 0 BHAERN c1cc2cccc(Oc3ccccc3)c2[nH]1 ZINC000089209353 191020746 /nfs/dbraw/zinc/02/07/46/191020746.db2.gz RZBFZPVNFUIBMI-UHFFFAOYSA-N 0 0 209.248 3.960 10 0 BHAERN COc1ccc(-c2cccc3cc[nH]c32)cc1 ZINC000089209391 175034938 /nfs/dbraw/zinc/03/49/38/175034938.db2.gz KFWGHAFPIRUNFT-UHFFFAOYSA-N 0 0 223.275 3.844 10 0 BHAERN COc1ccccc1-c1cccc2cc[nH]c21 ZINC000089209410 175310238 /nfs/dbraw/zinc/31/02/38/175310238.db2.gz PYHVXVKMZIJIPB-UHFFFAOYSA-N 0 0 223.275 3.844 10 0 BHAERN Cc1ccccc1-c1cccc2c1CCN2 ZINC000089209631 179237183 /nfs/dbraw/zinc/23/71/83/179237183.db2.gz GUSWXUCWWGALOQ-UHFFFAOYSA-N 0 0 209.292 3.630 10 0 BHAERN C(=C/c1ccccc1)\Cc1cccc2c1NCC2 ZINC000089210351 383947335 /nfs/dbraw/zinc/94/73/35/383947335.db2.gz TWDYTTKKTGGICR-XBXARRHUSA-N 0 0 235.330 3.911 10 0 BHAERN O=C1CCCCCC[C@H]1c1cccc2c1NCC2 ZINC000089210680 383947789 /nfs/dbraw/zinc/94/77/89/383947789.db2.gz DMMHFYZIBJJBKP-ZDUSSCGKSA-N 0 0 243.350 3.662 10 0 BHAERN O=C1CCCCCC[C@@H]1c1cccc2c1NCC2 ZINC000089210683 383946855 /nfs/dbraw/zinc/94/68/55/383946855.db2.gz DMMHFYZIBJJBKP-CYBMUJFWSA-N 0 0 243.350 3.662 10 0 BHAERN Clc1nccc2nc(-c3ccccc3)oc21 ZINC000089211748 383946227 /nfs/dbraw/zinc/94/62/27/383946227.db2.gz NDOBGGBAMIAAOC-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN Clc1nc(-c2ccccc2)cc2cc[nH]c21 ZINC000089219557 383948325 /nfs/dbraw/zinc/94/83/25/383948325.db2.gz AWNZHWLHHZILIB-UHFFFAOYSA-N 0 0 228.682 3.883 10 0 BHAERN Cc1cc(Cl)c2n[nH]c(-c3ccccc3)c2n1 ZINC000089219655 178061096 /nfs/dbraw/zinc/06/10/96/178061096.db2.gz CMPMZVDITYTQIG-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN Fc1cc(F)cc(Nc2cnc3cc[nH]c3c2)c1 ZINC000089221479 383949014 /nfs/dbraw/zinc/94/90/14/383949014.db2.gz IGWUNSLKACMMAO-UHFFFAOYSA-N 0 0 245.232 3.585 10 0 BHAERN Fc1cccc(-c2cnc3cc[nH]c3c2)c1F ZINC000089221718 180993826 /nfs/dbraw/zinc/99/38/26/180993826.db2.gz YPYZQBFMZPDLSH-UHFFFAOYSA-N 0 0 230.217 3.508 10 0 BHAERN Cc1cc(Oc2cncnc2)cc(C)c1Cl ZINC000089224304 178216224 /nfs/dbraw/zinc/21/62/24/178216224.db2.gz ZPNWRTDQTGQQGG-UHFFFAOYSA-N 0 0 234.686 3.539 10 0 BHAERN CC(C)(C)c1ccc(Oc2cncnc2)cc1 ZINC000089224312 188144671 /nfs/dbraw/zinc/14/46/71/188144671.db2.gz QRSOHLPFBARADJ-UHFFFAOYSA-N 0 0 228.295 3.566 10 0 BHAERN Clc1cccc(N[C@H]2N=Nc3ncccc32)c1 ZINC000089224503 383950777 /nfs/dbraw/zinc/95/07/77/383950777.db2.gz MMZGVMBSDYUFBA-LBPRGKRZSA-N 0 0 244.685 3.943 10 0 BHAERN Clc1cccc(N[C@@H]2N=Nc3ncccc32)c1 ZINC000089224506 180591329 /nfs/dbraw/zinc/59/13/29/180591329.db2.gz MMZGVMBSDYUFBA-GFCCVEGCSA-N 0 0 244.685 3.943 10 0 BHAERN Cc1cc2sc(C(C)C)nc2c(Cl)n1 ZINC000089229210 178307652 /nfs/dbraw/zinc/30/76/52/178307652.db2.gz WXSMDTZUYWDNOW-UHFFFAOYSA-N 0 0 226.732 3.777 10 0 BHAERN CCCCSc1nc2ncccc2s1 ZINC000089229347 168934149 /nfs/dbraw/zinc/93/41/49/168934149.db2.gz XRDFKFWXZGWSGF-UHFFFAOYSA-N 0 0 224.354 3.584 10 0 BHAERN CC(C)(C)CSc1nc2ncccc2s1 ZINC000089229354 383951904 /nfs/dbraw/zinc/95/19/04/383951904.db2.gz FJOUQIVEHHQLQU-UHFFFAOYSA-N 0 0 238.381 3.830 10 0 BHAERN Cc1cnc2nc(SCC(C)C)sc2c1 ZINC000089229378 383952336 /nfs/dbraw/zinc/95/23/36/383952336.db2.gz SUYZRNXFQSUZCB-UHFFFAOYSA-N 0 0 238.381 3.748 10 0 BHAERN CCCCSc1nc2ncc(C)cc2s1 ZINC000089229381 344246347 /nfs/dbraw/zinc/24/63/47/344246347.db2.gz IFYQIROHJQXLLA-UHFFFAOYSA-N 0 0 238.381 3.892 10 0 BHAERN S=c1nc2[nH]cc(-c3ccccc3)cc-2s1 ZINC000089229572 383952612 /nfs/dbraw/zinc/95/26/12/383952612.db2.gz UVQJRHZMEVSMGU-UHFFFAOYSA-N 0 0 244.344 3.647 10 0 BHAERN CC(C)n1cc(NCC2CCC(C)CC2)cn1 ZINC000089577061 491115784 /nfs/dbraw/zinc/11/57/84/491115784.db2.gz NMBMJKQRRJCWAR-UHFFFAOYSA-N 0 0 235.375 3.702 10 0 BHAERN O=C[C@H](c1ccccc1)c1ccccc1Cl ZINC000090161667 345752744 /nfs/dbraw/zinc/75/27/44/345752744.db2.gz GJIXXUSUXOQMDP-CYBMUJFWSA-N 0 0 230.694 3.671 10 0 BHAERN O=C[C@@H](c1ccccc1)c1ccccc1Cl ZINC000090161668 345752834 /nfs/dbraw/zinc/75/28/34/345752834.db2.gz GJIXXUSUXOQMDP-ZDUSSCGKSA-N 0 0 230.694 3.671 10 0 BHAERN CC(C)[C@@H]1CC[C@@]2(C)[C@@H](O)CC[C@H](C)[C@@H]2C1 ZINC000090197137 368337585 /nfs/dbraw/zinc/33/75/85/368337585.db2.gz GNWJYPQYWBLOGD-AIEDFZFUSA-N 0 0 224.388 3.856 10 0 BHAERN CC(C)[C@@H]1CC[C@@]2(C)[C@H](O)CC[C@H](C)[C@@H]2C1 ZINC000090197138 368337438 /nfs/dbraw/zinc/33/74/38/368337438.db2.gz GNWJYPQYWBLOGD-XPABHHOTSA-N 0 0 224.388 3.856 10 0 BHAERN Cc1cc2cccc(-c3cccnc3)c2[nH]1 ZINC000090376964 178298035 /nfs/dbraw/zinc/29/80/35/178298035.db2.gz YUGVGANOQZTJMP-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC000090378096 178324249 /nfs/dbraw/zinc/32/42/49/178324249.db2.gz WJKQDBJZUXOSBB-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1ccc(N(C)c2ncnc3ccccc32)cc1 ZINC000090378369 178701827 /nfs/dbraw/zinc/70/18/27/178701827.db2.gz BKAPFJQADCYFEI-UHFFFAOYSA-N 0 0 249.317 3.706 10 0 BHAERN Cc1ccc(N2c3ccccc3CCC2=O)cc1 ZINC000090378455 132311623 /nfs/dbraw/zinc/31/16/23/132311623.db2.gz NJIPIQFSGMFPIR-UHFFFAOYSA-N 0 0 237.302 3.606 10 0 BHAERN Cc1nc2cc(C3CCCCC3)c(O)cc2o1 ZINC000090411879 180077644 /nfs/dbraw/zinc/07/76/44/180077644.db2.gz NISIXHKVLKAWMD-UHFFFAOYSA-N 0 0 231.295 3.890 10 0 BHAERN CCC(=O)C[C@@H](C)c1c[nH]c2ccccc21 ZINC000090412596 168210318 /nfs/dbraw/zinc/21/03/18/168210318.db2.gz WFMDVHHEHLNWTL-SNVBAGLBSA-N 0 0 215.296 3.641 10 0 BHAERN CCC(=O)C[C@H](C)c1c[nH]c2ccccc21 ZINC000090412597 168209648 /nfs/dbraw/zinc/20/96/48/168209648.db2.gz WFMDVHHEHLNWTL-JTQLQIEISA-N 0 0 215.296 3.641 10 0 BHAERN CC[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000090414130 170685209 /nfs/dbraw/zinc/68/52/09/170685209.db2.gz VDKHDPHBJFUHGN-LLVKDONJSA-N 0 0 241.375 3.680 10 0 BHAERN CC[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000090414131 171257282 /nfs/dbraw/zinc/25/72/82/171257282.db2.gz VDKHDPHBJFUHGN-NSHDSACASA-N 0 0 241.375 3.680 10 0 BHAERN CCc1cc(C)c(Br)c(CC)c1 ZINC000090415395 384047552 /nfs/dbraw/zinc/04/75/52/384047552.db2.gz PCHKFCBEJVNWLB-UHFFFAOYSA-N 0 0 227.145 3.882 10 0 BHAERN CCC[C@@H]1C[C@H](C)c2cc(F)ccc2N1 ZINC000090423411 169435620 /nfs/dbraw/zinc/43/56/20/169435620.db2.gz FBCQENBSHLZJLO-GXSJLCMTSA-N 0 0 207.292 3.914 10 0 BHAERN CCC[C@@H]1C[C@@H](C)c2cc(F)ccc2N1 ZINC000090423417 169423526 /nfs/dbraw/zinc/42/35/26/169423526.db2.gz FBCQENBSHLZJLO-MWLCHTKSSA-N 0 0 207.292 3.914 10 0 BHAERN CCCc1cc(OCc2ccccc2)ccc1O ZINC000090423540 368980255 /nfs/dbraw/zinc/98/02/55/368980255.db2.gz MHKMPNFGLYREOZ-UHFFFAOYSA-N 0 0 242.318 3.924 10 0 BHAERN CCCc1ccc(Br)cc1F ZINC000090423822 368979581 /nfs/dbraw/zinc/97/95/81/368979581.db2.gz XWLGNVTYAAGARD-UHFFFAOYSA-N 0 0 217.081 3.541 10 0 BHAERN CCCCc1ccc2nc(F)c(C=O)cc2c1 ZINC000090428998 169024758 /nfs/dbraw/zinc/02/47/58/169024758.db2.gz RFQBGSLWTSZMPE-UHFFFAOYSA-N 0 0 231.270 3.529 10 0 BHAERN CCCC[C@H]1OC(=O)c2cc(Cl)ccc21 ZINC000090429205 169015191 /nfs/dbraw/zinc/01/51/91/169015191.db2.gz RJBJRRBLGZJSGP-LLVKDONJSA-N 0 0 224.687 3.742 10 0 BHAERN CCCCCCc1scc2c1OCCO2 ZINC000090434664 368981505 /nfs/dbraw/zinc/98/15/05/368981505.db2.gz QIWLEULVJYJBFW-UHFFFAOYSA-N 0 0 226.341 3.642 10 0 BHAERN Oc1ccc(-c2cnc(-c3ccccc3)nc2)cc1 ZINC000090443508 183264747 /nfs/dbraw/zinc/26/47/47/183264747.db2.gz DWGJAQAHIRDVEL-UHFFFAOYSA-N 0 0 248.285 3.516 10 0 BHAERN CCCSc1nc2c(C)cccc2cc1C=O ZINC000090449318 169341975 /nfs/dbraw/zinc/34/19/75/169341975.db2.gz FPOYGUNTAVOBNR-UHFFFAOYSA-N 0 0 245.347 3.858 10 0 BHAERN CCOC(=O)/C(=C\CCc1ccccc1)C(C)C ZINC000090462037 344269125 /nfs/dbraw/zinc/26/91/25/344269125.db2.gz HICKUCMPXYZHHD-QINSGFPZSA-N 0 0 246.350 3.765 10 0 BHAERN CCOC(=O)/C(=C/CCc1ccccc1)C(C)C ZINC000090462040 368983492 /nfs/dbraw/zinc/98/34/92/368983492.db2.gz HICKUCMPXYZHHD-NTCAYCPXSA-N 0 0 246.350 3.765 10 0 BHAERN Br/C=C/C=C\c1ccccc1 ZINC000090469859 343931786 /nfs/dbraw/zinc/93/17/86/343931786.db2.gz RHFAWXPHDBNIKS-MVTUOISNSA-N 0 0 209.086 3.608 10 0 BHAERN C=C(Br)/C=C/c1ccccc1 ZINC000090469908 368984637 /nfs/dbraw/zinc/98/46/37/368984637.db2.gz BFEBJDYUPGATQZ-BQYQJAHWSA-N 0 0 209.086 3.608 10 0 BHAERN Br/C=C/CC1CCCCC1 ZINC000090470010 538612900 /nfs/dbraw/zinc/61/29/00/538612900.db2.gz OQXGNQFIIKOYKC-XBXARRHUSA-N 0 0 203.123 3.865 10 0 BHAERN CCOc1cccc(-c2ccnc3[nH]ccc32)c1 ZINC000090472995 368984789 /nfs/dbraw/zinc/98/47/89/368984789.db2.gz BPKDIPHOKVGUTK-UHFFFAOYSA-N 0 0 238.290 3.629 10 0 BHAERN CCOc1ccccc1-c1ccnc2[nH]ccc21 ZINC000090473114 368984324 /nfs/dbraw/zinc/98/43/24/368984324.db2.gz LBIYHASEFCLTDD-UHFFFAOYSA-N 0 0 238.290 3.629 10 0 BHAERN Fc1cc2ccnc(Cl)c2cc1Cl ZINC000090484557 180956591 /nfs/dbraw/zinc/95/65/91/180956591.db2.gz TYKCTIFMODKQPO-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN CNc1ccc(/C=C/c2cccs2)cc1 ZINC000090505408 173475436 /nfs/dbraw/zinc/47/54/36/173475436.db2.gz KMWPHFRKULIOAJ-RMKNXTFCSA-N 0 0 215.321 3.960 10 0 BHAERN CNc1cnc(Cl)cc1-c1ccc(F)cc1 ZINC000090505444 173483891 /nfs/dbraw/zinc/48/38/91/173483891.db2.gz WOOIURRYTUCGJV-UHFFFAOYSA-N 0 0 236.677 3.583 10 0 BHAERN CNc1cnc(Cl)cc1-c1ccccc1C ZINC000090505450 388591140 /nfs/dbraw/zinc/59/11/40/388591140.db2.gz VTXJZEPMNSPTIC-UHFFFAOYSA-N 0 0 232.714 3.752 10 0 BHAERN COc1c(C(C)(C)C)ccc2cccnc21 ZINC000090516035 384031679 /nfs/dbraw/zinc/03/16/79/384031679.db2.gz QENYWMXWCRECTQ-UHFFFAOYSA-N 0 0 215.296 3.541 10 0 BHAERN COc1cc(F)ccc1Oc1ccccc1 ZINC000090527416 344270066 /nfs/dbraw/zinc/27/00/66/344270066.db2.gz AUFOEZDZPUUMDB-UHFFFAOYSA-N 0 0 218.227 3.627 10 0 BHAERN CCc1oc2cc(OC)c(C)c(OC)c2c1C ZINC000090529531 172112103 /nfs/dbraw/zinc/11/21/03/172112103.db2.gz DLSNUDGAOHBHRO-UHFFFAOYSA-N 0 0 234.295 3.629 10 0 BHAERN CCc1ccc(OC)cc1-c1ccccc1 ZINC000090529980 384056700 /nfs/dbraw/zinc/05/67/00/384056700.db2.gz NMDJGXCWRSURHW-UHFFFAOYSA-N 0 0 212.292 3.925 10 0 BHAERN C=C=C(c1ccccc1)c1ccc(OC)cc1 ZINC000090531185 384057376 /nfs/dbraw/zinc/05/73/76/384057376.db2.gz UNRUGJYVECVDQQ-UHFFFAOYSA-N 0 0 222.287 3.912 10 0 BHAERN COc1ccc(-n2cc(C)c3ccccc32)cc1 ZINC000090547800 175044134 /nfs/dbraw/zinc/04/41/34/175044134.db2.gz HUHQQYKPKMPENB-UHFFFAOYSA-N 0 0 237.302 3.948 10 0 BHAERN COc1ccc2c(c1)cc(C1CC1)nc2Cl ZINC000090548349 175205046 /nfs/dbraw/zinc/20/50/46/175205046.db2.gz PASILHIQQWINAB-UHFFFAOYSA-N 0 0 233.698 3.774 10 0 BHAERN COc1ccc2cc(-c3ccccc3)n(C)c2c1 ZINC000090548413 175224013 /nfs/dbraw/zinc/22/40/13/175224013.db2.gz SBXDHFCIEVASHU-UHFFFAOYSA-N 0 0 237.302 3.854 10 0 BHAERN Brc1cccc(-c2ccoc2)c1 ZINC000090550231 166101853 /nfs/dbraw/zinc/10/18/53/166101853.db2.gz HBGYKTPZYRCFGX-UHFFFAOYSA-N 0 0 223.069 3.709 10 0 BHAERN COc1cccc(-c2ccc(F)cc2F)c1 ZINC000090554769 368988505 /nfs/dbraw/zinc/98/85/05/368988505.db2.gz RNUBTZWDCOBMHP-UHFFFAOYSA-N 0 0 220.218 3.640 10 0 BHAERN COc1cccc2c1cc(-c1ccccc1)n2C ZINC000090554962 175306746 /nfs/dbraw/zinc/30/67/46/175306746.db2.gz VSRQZNRGEKDLST-UHFFFAOYSA-N 0 0 237.302 3.854 10 0 BHAERN F/C(Br)=C\CCc1ccccc1 ZINC000090557334 368988465 /nfs/dbraw/zinc/98/84/65/368988465.db2.gz NVBYWUCNEWDHIM-NTMALXAHSA-N 0 0 229.092 3.825 10 0 BHAERN F/C(Br)=C/CCc1ccccc1 ZINC000090557335 368988718 /nfs/dbraw/zinc/98/87/18/368988718.db2.gz NVBYWUCNEWDHIM-CSKARUKUSA-N 0 0 229.092 3.825 10 0 BHAERN FC(F)(F)/C=C/CCc1ccccc1 ZINC000090557420 398302124 /nfs/dbraw/zinc/30/21/24/398302124.db2.gz DUEJRHFJDXFPQX-WEVVVXLNSA-N 0 0 200.203 3.738 10 0 BHAERN Fc1cc2sccc2c(Br)c1 ZINC000090557813 188271468 /nfs/dbraw/zinc/27/14/68/188271468.db2.gz UCWCAIRIHGTIIL-UHFFFAOYSA-N 0 0 231.089 3.803 10 0 BHAERN CC(C)(C)c1nc2c(o1)c(N)c(F)cc2Cl ZINC000090557859 187243460 /nfs/dbraw/zinc/24/34/60/187243460.db2.gz SLTJMTSSWYROPO-UHFFFAOYSA-N 0 0 242.681 3.500 10 0 BHAERN Fc1ccc(-c2cc3ccc(Cl)cn3n2)cc1 ZINC000090558275 398302327 /nfs/dbraw/zinc/30/23/27/398302327.db2.gz YYELDJSYCCVLQZ-UHFFFAOYSA-N 0 0 246.672 3.794 10 0 BHAERN Nc1ccc2c(cccc2Oc2ccccn2)c1 ZINC000090600222 388422557 /nfs/dbraw/zinc/42/25/57/388422557.db2.gz NDVSQNPANDHJQN-UHFFFAOYSA-N 0 0 236.274 3.609 10 0 BHAERN CC1(C)CN(c2ccccc2N)c2ccccc21 ZINC000090600853 398279687 /nfs/dbraw/zinc/27/96/87/398279687.db2.gz NPOLWEMKWFBDQE-UHFFFAOYSA-N 0 0 238.334 3.698 10 0 BHAERN c1ccc(CCCCCO[C@@H]2CCCCO2)cc1 ZINC000090628471 188271064 /nfs/dbraw/zinc/27/10/64/188271064.db2.gz LNLLPOZSSJTLTH-INIZCTEOSA-N 0 0 248.366 3.943 10 0 BHAERN C[C@@H]1C[C@H](Sc2ccccc2)C(C)(C)O1 ZINC000090629125 176429652 /nfs/dbraw/zinc/42/96/52/176429652.db2.gz YKKAMEMTBQGCNU-PWSUYJOCSA-N 0 0 222.353 3.735 10 0 BHAERN O=c1ccc2ccc(/C=C/c3ccccc3)cc2o1 ZINC000090658624 183000599 /nfs/dbraw/zinc/00/05/99/183000599.db2.gz YZFQFMIADSXVRJ-VOTSOKGWSA-N 0 0 248.281 3.963 10 0 BHAERN O=Cc1cc2ccncc2c2cc(Cl)ccc12 ZINC000090668972 368992954 /nfs/dbraw/zinc/99/29/54/368992954.db2.gz WABSLXJVBWKLPB-UHFFFAOYSA-N 0 0 241.677 3.854 10 0 BHAERN O=Cc1ccc(-c2ccc(F)cc2Cl)cc1 ZINC000090669130 384068392 /nfs/dbraw/zinc/06/83/92/384068392.db2.gz CWUFRAQJDKQWBB-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN O=Cc1ccc(-c2cccc(Cl)c2F)cc1 ZINC000090669141 182865634 /nfs/dbraw/zinc/86/56/34/182865634.db2.gz DTWJDIHCTNQLQO-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN O=Cc1ccc(-c2cccc3[nH]ccc32)cc1 ZINC000090669145 384067510 /nfs/dbraw/zinc/06/75/10/384067510.db2.gz PUYYMSQQBOMQBY-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN O=Cc1coc2c(Cl)cccc2c1=S ZINC000090669485 182875398 /nfs/dbraw/zinc/87/53/98/182875398.db2.gz LLSBGQSMTYNXSB-UHFFFAOYSA-N 0 0 224.668 3.628 10 0 BHAERN Oc1ccc(-c2cccs2)c2cccnc12 ZINC000090712835 183264757 /nfs/dbraw/zinc/26/47/57/183264757.db2.gz IFEMFQWLQBWJNQ-UHFFFAOYSA-N 0 0 227.288 3.669 10 0 BHAERN OCc1cc2ccncc2c2cc(Cl)ccc12 ZINC000090727756 368994392 /nfs/dbraw/zinc/99/43/92/368994392.db2.gz DEZYFMSMLAGIQY-UHFFFAOYSA-N 0 0 243.693 3.534 10 0 BHAERN C[C@@H](c1ccccc1)N1C[C@@H]1c1ccccc1 ZINC000090733625 176021649 /nfs/dbraw/zinc/02/16/49/176021649.db2.gz UKEOYMRKZNJBTJ-XVMZJDAESA-N 0 0 223.319 3.805 10 0 BHAERN C[C@@H](c1ccccc1)N1C[C@H]1c1ccccc1 ZINC000090733627 176022385 /nfs/dbraw/zinc/02/23/85/176022385.db2.gz UKEOYMRKZNJBTJ-CCBDSKLWSA-N 0 0 223.319 3.805 10 0 BHAERN C=C/C=C\c1cc(-c2ccc(C)cc2)no1 ZINC000090734178 188318207 /nfs/dbraw/zinc/31/82/07/188318207.db2.gz JKIUHYJUQQUTSP-PLNGDYQASA-N 0 0 211.264 3.849 10 0 BHAERN C=C/C=C/c1cc(-c2ccc(C)cc2)no1 ZINC000090734179 188271031 /nfs/dbraw/zinc/27/10/31/188271031.db2.gz JKIUHYJUQQUTSP-SNAWJCMRSA-N 0 0 211.264 3.849 10 0 BHAERN c1nc2cccc(-c3cccc4ncoc43)c2o1 ZINC000090751181 183329682 /nfs/dbraw/zinc/32/96/82/183329682.db2.gz QYGVENSBTDTZTN-UHFFFAOYSA-N 0 0 236.230 3.636 10 0 BHAERN C(/C=C/c1cccnc1)=C\c1ccccc1 ZINC000090751247 368996269 /nfs/dbraw/zinc/99/62/69/368996269.db2.gz WCQHKQCBWYWTTF-LUZURFALSA-N 0 0 207.276 3.808 10 0 BHAERN c1cc2cc(Sc3ccccc3)cnc2[nH]1 ZINC000090751834 368996030 /nfs/dbraw/zinc/99/60/30/368996030.db2.gz QDVMTDLOWNMWRP-UHFFFAOYSA-N 0 0 226.304 3.714 10 0 BHAERN c1cc(CNc2cccc3ccccc32)c[nH]1 ZINC000090994211 135557195 /nfs/dbraw/zinc/55/71/95/135557195.db2.gz PZAQAMITFRIVDN-UHFFFAOYSA-N 0 0 222.291 3.780 10 0 BHAERN CCCOc1cc(C)ccc1NCc1cc[nH]c1 ZINC000090994735 169314442 /nfs/dbraw/zinc/31/44/42/169314442.db2.gz MSPKGCPUGLLDRH-UHFFFAOYSA-N 0 0 244.338 3.724 10 0 BHAERN CCCn1ccc(CNc2ccccc2F)c1 ZINC000091009288 135558582 /nfs/dbraw/zinc/55/85/82/135558582.db2.gz RPHFRCQBENUSDQ-UHFFFAOYSA-N 0 0 232.302 3.649 10 0 BHAERN CCn1cccc1CNc1ccc(C)cc1C ZINC000091022108 256582496 /nfs/dbraw/zinc/58/24/96/256582496.db2.gz HRHWTUBVWFMVHN-UHFFFAOYSA-N 0 0 228.339 3.737 10 0 BHAERN CCn1cccc1CNc1cccc(SC)c1 ZINC000091022180 172210497 /nfs/dbraw/zinc/21/04/97/172210497.db2.gz DUTHXOYERSOJGE-UHFFFAOYSA-N 0 0 246.379 3.842 10 0 BHAERN CCOc1ccccc1NCc1cccn1CC ZINC000091022230 170596012 /nfs/dbraw/zinc/59/60/12/170596012.db2.gz GYEMJCBKCDDTAO-UHFFFAOYSA-N 0 0 244.338 3.519 10 0 BHAERN CCn1cccc1CNc1ccc(SC)cc1 ZINC000091022289 172208620 /nfs/dbraw/zinc/20/86/20/172208620.db2.gz JALAEAXDIMKLKZ-UHFFFAOYSA-N 0 0 246.379 3.842 10 0 BHAERN CCn1cccc1CNc1ccc(F)cc1C ZINC000091022598 536102627 /nfs/dbraw/zinc/10/26/27/536102627.db2.gz ONFRSVNGNGYAAP-UHFFFAOYSA-N 0 0 232.302 3.568 10 0 BHAERN CCc1cccc(NCc2cccn2CC)c1 ZINC000091022606 256582819 /nfs/dbraw/zinc/58/28/19/256582819.db2.gz PDWJNZSNDRRPQZ-UHFFFAOYSA-N 0 0 228.339 3.683 10 0 BHAERN CCn1cccc1C[NH2+][C@H](C)c1ccccc1C ZINC000091022847 172208902 /nfs/dbraw/zinc/20/89/02/172208902.db2.gz WBGMTIDAJIHGKA-CQSZACIVSA-N 0 0 242.366 3.667 10 0 BHAERN CCn1cccc1CNc1ccccc1SC ZINC000091023756 172211338 /nfs/dbraw/zinc/21/13/38/172211338.db2.gz UQSIBBMURSYDJV-UHFFFAOYSA-N 0 0 246.379 3.842 10 0 BHAERN CCn1cccc1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000091025499 172208963 /nfs/dbraw/zinc/20/89/63/172208963.db2.gz XSWNJBJSPPLQLW-CQSZACIVSA-N 0 0 242.366 3.667 10 0 BHAERN CCn1cccc1CNc1ccc(F)c(C)c1 ZINC000091127702 536102403 /nfs/dbraw/zinc/10/24/03/536102403.db2.gz DSXWCOKWFNNAKI-UHFFFAOYSA-N 0 0 232.302 3.568 10 0 BHAERN FC1=C(Oc2ccccc2)C(F)(F)C1(F)F ZINC000091251974 180919983 /nfs/dbraw/zinc/91/99/83/180919983.db2.gz YTZLXVUUOWYDHY-UHFFFAOYSA-N 0 0 236.139 3.531 10 0 BHAERN O=Cc1ccc(C(F)(F)F)c2ccccc12 ZINC000091252077 182866760 /nfs/dbraw/zinc/86/67/60/182866760.db2.gz DIXPWRFFZCPAOH-UHFFFAOYSA-N 0 0 224.181 3.671 10 0 BHAERN C=Cc1c(F)c(F)c(OC(C)C)c(F)c1F ZINC000091252106 188319436 /nfs/dbraw/zinc/31/94/36/188319436.db2.gz PUSVGXZTMAULLX-UHFFFAOYSA-N 0 0 234.192 3.673 10 0 BHAERN FC(F)(F)/C=C/Sc1ccccc1 ZINC000091252530 180878470 /nfs/dbraw/zinc/87/84/70/180878470.db2.gz IDLBFALETWPANA-VOTSOKGWSA-N 0 0 204.216 3.855 10 0 BHAERN CCc1nc2ccc(Br)cc2s1 ZINC000091301704 172011713 /nfs/dbraw/zinc/01/17/13/172011713.db2.gz HOPBLYQUUMFVIZ-UHFFFAOYSA-N 0 0 242.141 3.621 10 0 BHAERN Clc1cc2ccsc2c(Cl)n1 ZINC000091301904 384114437 /nfs/dbraw/zinc/11/44/37/384114437.db2.gz NOLRRYMPZILHBM-UHFFFAOYSA-N 0 0 204.081 3.603 10 0 BHAERN Cc1c2c(cc(O)c1C)C[C@H](C1CCCC1)C2=O ZINC000091302002 384113757 /nfs/dbraw/zinc/11/37/57/384113757.db2.gz KBVHTTPYLFSXBH-CYBMUJFWSA-N 0 0 244.334 3.554 10 0 BHAERN Cc1c2c(cc(O)c1C)C[C@@H](C1CCCC1)C2=O ZINC000091302003 384114839 /nfs/dbraw/zinc/11/48/39/384114839.db2.gz KBVHTTPYLFSXBH-ZDUSSCGKSA-N 0 0 244.334 3.554 10 0 BHAERN Br[C@@]12CCC[C@@H]3C[C@@H](CC[C@@H]31)C2 ZINC000091302027 166095133 /nfs/dbraw/zinc/09/51/33/166095133.db2.gz SMRZBUXTCBUQMD-CHWFTXMASA-N 0 0 229.161 3.740 10 0 BHAERN CC(C)[C@H](O)c1cc2ccccc2s1 ZINC000091302042 188144531 /nfs/dbraw/zinc/14/45/31/188144531.db2.gz VWSITIDFYLJEDK-LBPRGKRZSA-N 0 0 206.310 3.591 10 0 BHAERN CC(C)[C@@H](O)c1cc2ccccc2s1 ZINC000091302043 384114492 /nfs/dbraw/zinc/11/44/92/384114492.db2.gz VWSITIDFYLJEDK-GFCCVEGCSA-N 0 0 206.310 3.591 10 0 BHAERN COC(=O)CCCCCCCC(C)C ZINC000091302268 384114756 /nfs/dbraw/zinc/11/47/56/384114756.db2.gz XUSHLLPSFVAOHS-UHFFFAOYSA-N 0 0 200.322 3.546 10 0 BHAERN CCCCc1cccc(NC(C)=O)c1Cl ZINC000091352052 188319474 /nfs/dbraw/zinc/31/94/74/188319474.db2.gz XXEGAQOMRBVAGO-UHFFFAOYSA-N 0 0 225.719 3.641 10 0 BHAERN CC(=O)SCc1cc(Cl)ccc1Cl ZINC000091353394 188319543 /nfs/dbraw/zinc/31/95/43/188319543.db2.gz HLPRVUBZLUCQGE-UHFFFAOYSA-N 0 0 235.135 3.773 10 0 BHAERN CC(C)Oc1cncc(-c2ccccc2Cl)n1 ZINC000091362028 167312631 /nfs/dbraw/zinc/31/26/31/167312631.db2.gz UHYOIFFBPTZCKS-UHFFFAOYSA-N 0 0 248.713 3.584 10 0 BHAERN CC[C@@H](C)CSc1cc(Cl)ccn1 ZINC000091362050 170714199 /nfs/dbraw/zinc/71/41/99/170714199.db2.gz XRKTZUNCDIJVLD-MRVPVSSYSA-N 0 0 215.749 3.873 10 0 BHAERN CC[C@H](C)CSc1cc(Cl)ccn1 ZINC000091362053 171293211 /nfs/dbraw/zinc/29/32/11/171293211.db2.gz XRKTZUNCDIJVLD-QMMMGPOBSA-N 0 0 215.749 3.873 10 0 BHAERN CC(C)Oc1cncc(-c2ccc(Cl)cc2)n1 ZINC000091362107 167311763 /nfs/dbraw/zinc/31/17/63/167311763.db2.gz CKYMHMXWHXCITD-UHFFFAOYSA-N 0 0 248.713 3.584 10 0 BHAERN CCCCSc1cc(Cl)ccn1 ZINC000091362247 188145267 /nfs/dbraw/zinc/14/52/67/188145267.db2.gz NMLLYOQGMISESG-UHFFFAOYSA-N 0 0 201.722 3.627 10 0 BHAERN CC[C@@H](C)Sc1cc(Cl)ccn1 ZINC000091362318 384120091 /nfs/dbraw/zinc/12/00/91/384120091.db2.gz BPCPWCNIVHLVKF-SSDOTTSWSA-N 0 0 201.722 3.626 10 0 BHAERN CC[C@H](C)Sc1cc(Cl)ccn1 ZINC000091362321 171356965 /nfs/dbraw/zinc/35/69/65/171356965.db2.gz BPCPWCNIVHLVKF-ZETCQYMHSA-N 0 0 201.722 3.626 10 0 BHAERN CC(C)(C)Sc1cc(Cl)ccn1 ZINC000091362328 166692227 /nfs/dbraw/zinc/69/22/27/166692227.db2.gz DYHUPUPBDZMWDG-UHFFFAOYSA-N 0 0 201.722 3.626 10 0 BHAERN Nc1oc(-c2ccccc2)nc1-c1ccccc1 ZINC000091363878 181818865 /nfs/dbraw/zinc/81/88/65/181818865.db2.gz LSODPGUTLUGYRO-UHFFFAOYSA-N 0 0 236.274 3.591 10 0 BHAERN Fc1cccc(-c2cccc(C(F)(F)F)c2)n1 ZINC000091364314 180993149 /nfs/dbraw/zinc/99/31/49/180993149.db2.gz YMZGTITUODKSSO-UHFFFAOYSA-N 0 0 241.187 3.907 10 0 BHAERN FC(F)=Cc1cccc(Br)c1 ZINC000091365434 187627080 /nfs/dbraw/zinc/62/70/80/187627080.db2.gz BCGPNQGFMONPMI-UHFFFAOYSA-N 0 0 219.028 3.687 10 0 BHAERN COCCc1ccc(-c2ccc(C)cc2)cc1 ZINC000091365822 384123194 /nfs/dbraw/zinc/12/31/94/384123194.db2.gz LRSYNMJZWHLHER-UHFFFAOYSA-N 0 0 226.319 3.851 10 0 BHAERN COc1ccc(/C=C(/C)c2ccncc2)cc1 ZINC000091365961 175046754 /nfs/dbraw/zinc/04/67/54/175046754.db2.gz NGZAJRVDSNPJES-QXMHVHEDSA-N 0 0 225.291 3.651 10 0 BHAERN Clc1ccnc(SCC2CCC2)c1 ZINC000091366022 384123014 /nfs/dbraw/zinc/12/30/14/384123014.db2.gz SIRXRXQYDXAWND-UHFFFAOYSA-N 0 0 213.733 3.627 10 0 BHAERN Clc1ccnc(OCC2CCCCC2)c1 ZINC000091366024 384122924 /nfs/dbraw/zinc/12/29/24/384122924.db2.gz DYHOQGMBXFJEGV-UHFFFAOYSA-N 0 0 225.719 3.694 10 0 BHAERN Clc1ccnc(SC2CCCC2)c1 ZINC000091366031 384122934 /nfs/dbraw/zinc/12/29/34/384122934.db2.gz MTMYTUUMTNIBRF-UHFFFAOYSA-N 0 0 213.733 3.770 10 0 BHAERN CC(C)CCSc1cc(Cl)ccn1 ZINC000091366037 384122809 /nfs/dbraw/zinc/12/28/09/384122809.db2.gz VKQFWYZEZKBQPF-UHFFFAOYSA-N 0 0 215.749 3.873 10 0 BHAERN CC(C)(C)CSc1cc(Cl)ccn1 ZINC000091366040 166594933 /nfs/dbraw/zinc/59/49/33/166594933.db2.gz OYCNKYJCWCAXPK-UHFFFAOYSA-N 0 0 215.749 3.873 10 0 BHAERN CCCCn1ccc2nc(Cl)nc(Cl)c21 ZINC000091366401 169036372 /nfs/dbraw/zinc/03/63/72/169036372.db2.gz KPNLHIMFAFTTNO-UHFFFAOYSA-N 0 0 244.125 3.538 10 0 BHAERN COc1ccccc1[C@H](C)Nc1cccnc1C ZINC000091495478 175351884 /nfs/dbraw/zinc/35/18/84/175351884.db2.gz CNVKQRCHQUEKOD-NSHDSACASA-N 0 0 242.322 3.572 10 0 BHAERN COc1ccccc1[C@@H](C)Nc1cccnc1C ZINC000091495479 175346146 /nfs/dbraw/zinc/34/61/46/175346146.db2.gz CNVKQRCHQUEKOD-LLVKDONJSA-N 0 0 242.322 3.572 10 0 BHAERN COc1cccc([C@H](C)Nc2cccnc2C)c1 ZINC000091495486 175294077 /nfs/dbraw/zinc/29/40/77/175294077.db2.gz PFDZSPNTWKSLPB-NSHDSACASA-N 0 0 242.322 3.572 10 0 BHAERN COc1cccc([C@@H](C)Nc2cccnc2C)c1 ZINC000091495487 175287600 /nfs/dbraw/zinc/28/76/00/175287600.db2.gz PFDZSPNTWKSLPB-LLVKDONJSA-N 0 0 242.322 3.572 10 0 BHAERN COc1ccc([C@H](C)Nc2cccnc2C)cc1 ZINC000091495607 175190161 /nfs/dbraw/zinc/19/01/61/175190161.db2.gz SIUZQNKYISPXRL-NSHDSACASA-N 0 0 242.322 3.572 10 0 BHAERN COc1ccc([C@@H](C)Nc2cccnc2C)cc1 ZINC000091495608 175177932 /nfs/dbraw/zinc/17/79/32/175177932.db2.gz SIUZQNKYISPXRL-LLVKDONJSA-N 0 0 242.322 3.572 10 0 BHAERN Cc1cc([C@@H](C)Nc2cccnc2C)c(C)o1 ZINC000091496033 178234979 /nfs/dbraw/zinc/23/49/79/178234979.db2.gz SWFUFVAIXRJXCW-SNVBAGLBSA-N 0 0 230.311 3.773 10 0 BHAERN Cc1cc([C@H](C)Nc2cccnc2C)c(C)o1 ZINC000091496034 178259968 /nfs/dbraw/zinc/25/99/68/178259968.db2.gz SWFUFVAIXRJXCW-JTQLQIEISA-N 0 0 230.311 3.773 10 0 BHAERN Cc1nc(N)ccc1-c1ccc(C(C)C)cc1 ZINC000091508291 631540375 /nfs/dbraw/zinc/54/03/75/631540375.db2.gz KZYAFOXWELHSMG-UHFFFAOYSA-N 0 0 226.323 3.763 10 0 BHAERN Cc1ccccc1N[C@@H]1CCCc2cccnc21 ZINC000091660239 491131239 /nfs/dbraw/zinc/13/12/39/491131239.db2.gz COXHJNKHDYDKTE-OAHLLOKOSA-N 0 0 238.334 3.880 10 0 BHAERN Cc1ccccc1N[C@H]1CCCc2cccnc21 ZINC000091660240 491131253 /nfs/dbraw/zinc/13/12/53/491131253.db2.gz COXHJNKHDYDKTE-HNNXBMFYSA-N 0 0 238.334 3.880 10 0 BHAERN O=C(CC1CCCCC1)c1ccncc1Cl ZINC000091677822 384138420 /nfs/dbraw/zinc/13/84/20/384138420.db2.gz YXWNYNXJWQBXNP-UHFFFAOYSA-N 0 0 237.730 3.888 10 0 BHAERN CCOC(=O)c1cc(-c2ccccc2)[nH]c1Cl ZINC000091692082 170290524 /nfs/dbraw/zinc/29/05/24/170290524.db2.gz QBPWMTWJWXELRX-UHFFFAOYSA-N 0 0 249.697 3.512 10 0 BHAERN Cc1nc2ccccc2cc1C(=O)C(C)(C)C ZINC000091692114 180101656 /nfs/dbraw/zinc/10/16/56/180101656.db2.gz PNIXXEFDIHSGCF-UHFFFAOYSA-N 0 0 227.307 3.772 10 0 BHAERN COc1cnc(Cl)c2cccc(Cl)c12 ZINC000091692533 175381518 /nfs/dbraw/zinc/38/15/18/175381518.db2.gz KTISORPYYPFYOD-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN Clc1ncc(C2CC2)c2ccccc12 ZINC000091692544 384063722 /nfs/dbraw/zinc/06/37/22/384063722.db2.gz GMCLWOOPDGIDIA-UHFFFAOYSA-N 0 0 203.672 3.766 10 0 BHAERN Cc1cc2cc(-c3cccnc3)[nH]c2c(Cl)n1 ZINC000091692719 178294234 /nfs/dbraw/zinc/29/42/34/178294234.db2.gz WVFGTPZDPIPUNM-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN CCOc1cccc(-c2ccc(C=O)cc2)c1 ZINC000091692793 644636623 /nfs/dbraw/zinc/63/66/23/644636623.db2.gz ZWYXKBMDFOXWAB-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(F)cn2)o1 ZINC000092195807 178847668 /nfs/dbraw/zinc/84/76/68/178847668.db2.gz GIASGDUJQHOZKC-WDEREUQCSA-N 0 0 248.301 3.534 10 0 BHAERN Cc1ccc([C@H](C)N[C@@H](C)c2ccc(F)cn2)o1 ZINC000092195809 384167447 /nfs/dbraw/zinc/16/74/47/384167447.db2.gz GIASGDUJQHOZKC-QWRGUYRKSA-N 0 0 248.301 3.534 10 0 BHAERN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(F)cn2)o1 ZINC000092195811 384166915 /nfs/dbraw/zinc/16/69/15/384166915.db2.gz GIASGDUJQHOZKC-GHMZBOCLSA-N 0 0 248.301 3.534 10 0 BHAERN Cc1ccc([C@H](C)N[C@H](C)c2ccc(F)cn2)o1 ZINC000092195813 384168120 /nfs/dbraw/zinc/16/81/20/384168120.db2.gz GIASGDUJQHOZKC-MNOVXSKESA-N 0 0 248.301 3.534 10 0 BHAERN CC(C)c1nsc(N[C@@H](C)C(C)(C)C)n1 ZINC000092672915 384150072 /nfs/dbraw/zinc/15/00/72/384150072.db2.gz FFVLVVLQQXGKDX-QMMMGPOBSA-N 0 0 227.377 3.508 10 0 BHAERN O[C@@H]1c2ccccc2CC[C@@H]1C1CCCCC1 ZINC000093129862 343150523 /nfs/dbraw/zinc/15/05/23/343150523.db2.gz RYGBPZSJGYBLJZ-HZPDHXFCSA-N 0 0 230.351 3.863 10 0 BHAERN O[C@@H]1c2ccccc2CC[C@H]1C1CCCCC1 ZINC000093129863 343150665 /nfs/dbraw/zinc/15/06/65/343150665.db2.gz RYGBPZSJGYBLJZ-JKSUJKDBSA-N 0 0 230.351 3.863 10 0 BHAERN O[C@H]1c2ccccc2CC[C@@H]1C1CCCCC1 ZINC000093129864 343151255 /nfs/dbraw/zinc/15/12/55/343151255.db2.gz RYGBPZSJGYBLJZ-CVEARBPZSA-N 0 0 230.351 3.863 10 0 BHAERN O[C@H]1c2ccccc2CC[C@H]1C1CCCCC1 ZINC000093129865 343151236 /nfs/dbraw/zinc/15/12/36/343151236.db2.gz RYGBPZSJGYBLJZ-HOTGVXAUSA-N 0 0 230.351 3.863 10 0 BHAERN c1coc([C@@H]2CCC[N@H+]2Cc2cccs2)c1 ZINC000093335093 360233181 /nfs/dbraw/zinc/23/31/81/360233181.db2.gz XIXNUYCGYJCJCR-LBPRGKRZSA-N 0 0 233.336 3.678 10 0 BHAERN c1coc([C@H]2CCC[N@H+]2Cc2cccs2)c1 ZINC000093335094 360232694 /nfs/dbraw/zinc/23/26/94/360232694.db2.gz XIXNUYCGYJCJCR-GFCCVEGCSA-N 0 0 233.336 3.678 10 0 BHAERN Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000093335095 360232416 /nfs/dbraw/zinc/23/24/16/360232416.db2.gz NPLBKSWQOKWJOA-CYBMUJFWSA-N 0 0 231.295 3.518 10 0 BHAERN Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)o1 ZINC000093335096 360232309 /nfs/dbraw/zinc/23/23/09/360232309.db2.gz NPLBKSWQOKWJOA-ZDUSSCGKSA-N 0 0 231.295 3.518 10 0 BHAERN Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000093335101 360232329 /nfs/dbraw/zinc/23/23/29/360232329.db2.gz XIOFYILUZSPBCT-CYBMUJFWSA-N 0 0 247.363 3.987 10 0 BHAERN Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)s1 ZINC000093335102 360232967 /nfs/dbraw/zinc/23/29/67/360232967.db2.gz XIOFYILUZSPBCT-ZDUSSCGKSA-N 0 0 247.363 3.987 10 0 BHAERN Cc1ccsc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000093335167 360232554 /nfs/dbraw/zinc/23/25/54/360232554.db2.gz FVGYCHQPBUSNPH-GFCCVEGCSA-N 0 0 247.363 3.987 10 0 BHAERN Cc1ccsc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000093335168 360233135 /nfs/dbraw/zinc/23/31/35/360233135.db2.gz FVGYCHQPBUSNPH-LBPRGKRZSA-N 0 0 247.363 3.987 10 0 BHAERN CCc1ccc(C[N@@H+]2CCC[C@@H]2c2ccco2)o1 ZINC000093335187 360232407 /nfs/dbraw/zinc/23/24/07/360232407.db2.gz LFCVRSNLFPDARV-CQSZACIVSA-N 0 0 245.322 3.772 10 0 BHAERN CCc1ccc(C[N@@H+]2CCC[C@H]2c2ccco2)o1 ZINC000093335188 360232512 /nfs/dbraw/zinc/23/25/12/360232512.db2.gz LFCVRSNLFPDARV-AWEZNQCLSA-N 0 0 245.322 3.772 10 0 BHAERN c1coc([C@@H]2CCC[N@H+]2Cc2ccsc2)c1 ZINC000093335411 360232131 /nfs/dbraw/zinc/23/21/31/360232131.db2.gz OLKFTEIFPYIFNN-LBPRGKRZSA-N 0 0 233.336 3.678 10 0 BHAERN c1coc([C@H]2CCC[N@H+]2Cc2ccsc2)c1 ZINC000093335412 360233217 /nfs/dbraw/zinc/23/32/17/360233217.db2.gz OLKFTEIFPYIFNN-GFCCVEGCSA-N 0 0 233.336 3.678 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1ncc(Cl)cn1 ZINC000093536668 179323158 /nfs/dbraw/zinc/32/31/58/179323158.db2.gz KJLJVZTVWXKIKN-SNVBAGLBSA-N 0 0 247.729 3.612 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1ncc(Cl)cn1 ZINC000093536670 179340383 /nfs/dbraw/zinc/34/03/83/179340383.db2.gz KJLJVZTVWXKIKN-JTQLQIEISA-N 0 0 247.729 3.612 10 0 BHAERN CCC1CCC(Nc2ncc(Cl)cn2)CC1 ZINC000093537174 386419620 /nfs/dbraw/zinc/41/96/20/386419620.db2.gz MJEOSTNLSDPTOG-UHFFFAOYSA-N 0 0 239.750 3.511 10 0 BHAERN CC[C@H](Nc1ncc(Cl)cn1)c1ccccc1 ZINC000093537692 386837033 /nfs/dbraw/zinc/83/70/33/386837033.db2.gz VCYJWHXCEPVRHJ-LBPRGKRZSA-N 0 0 247.729 3.693 10 0 BHAERN CC[C@@H](Nc1ncc(Cl)cn1)c1ccccc1 ZINC000093537697 384248585 /nfs/dbraw/zinc/24/85/85/384248585.db2.gz VCYJWHXCEPVRHJ-GFCCVEGCSA-N 0 0 247.729 3.693 10 0 BHAERN COc1cc(-c2cccc(C=O)c2)ccc1Cl ZINC000094006642 644705326 /nfs/dbraw/zinc/70/53/26/644705326.db2.gz KLOQQOYPMAHOEZ-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN COc1cc(-c2ccccc2C=O)ccc1Cl ZINC000094006648 644705348 /nfs/dbraw/zinc/70/53/48/644705348.db2.gz CIAVQKPSTPIYGE-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN COc1cc(-c2ccc(C=O)cc2)ccc1Cl ZINC000094006651 644705135 /nfs/dbraw/zinc/70/51/35/644705135.db2.gz KBBKEYJENILLJV-UHFFFAOYSA-N 0 0 246.693 3.828 10 0 BHAERN Cc1cc(N)ncc1-c1ccc(C(C)C)cc1 ZINC000094064299 631574501 /nfs/dbraw/zinc/57/45/01/631574501.db2.gz ZDIQSVFVAFVNSZ-UHFFFAOYSA-N 0 0 226.323 3.763 10 0 BHAERN Cc1cc(-c2cccc(C=O)c2)c(F)cc1F ZINC000094069387 644706951 /nfs/dbraw/zinc/70/69/51/644706951.db2.gz RDANLZOWKFBINJ-UHFFFAOYSA-N 0 0 232.229 3.753 10 0 BHAERN Cc1cc(-c2ccccc2C=O)c(F)cc1F ZINC000094069388 644706540 /nfs/dbraw/zinc/70/65/40/644706540.db2.gz PMLYZFCWKNZDEK-UHFFFAOYSA-N 0 0 232.229 3.753 10 0 BHAERN Cc1cc(-c2ccc(C=O)cc2)c(F)cc1F ZINC000094069398 631574656 /nfs/dbraw/zinc/57/46/56/631574656.db2.gz GGUGUCMJFPCNEE-UHFFFAOYSA-N 0 0 232.229 3.753 10 0 BHAERN CCCCc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000094755259 169019438 /nfs/dbraw/zinc/01/94/38/169019438.db2.gz LDWZDVRNSFXAEK-UHFFFAOYSA-N 0 0 234.339 3.985 10 0 BHAERN CC(C)(C)OC(=O)/C=C/c1ccc(Cl)s1 ZINC000094755318 635386393 /nfs/dbraw/zinc/38/63/93/635386393.db2.gz GCBWAZPWDYINQA-FNORWQNLSA-N 0 0 244.743 3.756 10 0 BHAERN CC(C)(C)OC(=O)/C=C/c1ccccc1Cl ZINC000094755329 538602374 /nfs/dbraw/zinc/60/23/74/538602374.db2.gz VHYPWYONXOKLMH-CMDGGOBGSA-N 0 0 238.714 3.695 10 0 BHAERN Cc1ccc(/C=C/C(=O)OC(C)(C)C)c(C)c1 ZINC000094755390 538601754 /nfs/dbraw/zinc/60/17/54/538601754.db2.gz JPRUSNIQPQVINW-CMDGGOBGSA-N 0 0 232.323 3.658 10 0 BHAERN CCc1ccc(/C=C/C(=O)OC(C)(C)C)cc1 ZINC000094755484 538602582 /nfs/dbraw/zinc/60/25/82/538602582.db2.gz IYDIQRPHAPHELI-ZHACJKMWSA-N 0 0 232.323 3.604 10 0 BHAERN COc1ccc(F)c(N[C@@H](C)c2ccco2)c1 ZINC000094855177 536609488 /nfs/dbraw/zinc/60/94/88/536609488.db2.gz MQFQPXVXTBFIBR-VIFPVBQESA-N 0 0 235.258 3.600 10 0 BHAERN CCOc1cccc(-c2cccc(C=O)c2)c1 ZINC000094933519 631582165 /nfs/dbraw/zinc/58/21/65/631582165.db2.gz TYGIOFJINGKRSF-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN CCOc1cccc(-c2ccccc2C=O)c1 ZINC000094933526 644733518 /nfs/dbraw/zinc/73/35/18/644733518.db2.gz ARUZJIAQSSIJDX-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN Cc1ccc([C@@H](C)Nc2ncccc2F)cc1F ZINC000094957878 386972927 /nfs/dbraw/zinc/97/29/27/386972927.db2.gz KITPGHNYUJLMGU-SNVBAGLBSA-N 0 0 248.276 3.841 10 0 BHAERN Cc1ccc([C@H](C)Nc2ncccc2F)cc1F ZINC000094957879 386972830 /nfs/dbraw/zinc/97/28/30/386972830.db2.gz KITPGHNYUJLMGU-JTQLQIEISA-N 0 0 248.276 3.841 10 0 BHAERN Cc1ccc([C@@H](C)Nc2ccc(F)cn2)cc1F ZINC000094957898 256640790 /nfs/dbraw/zinc/64/07/90/256640790.db2.gz ILEZUGIGDRASEC-SNVBAGLBSA-N 0 0 248.276 3.841 10 0 BHAERN Cc1ccc([C@H](C)Nc2ccc(F)cn2)cc1F ZINC000094957899 386973312 /nfs/dbraw/zinc/97/33/12/386973312.db2.gz ILEZUGIGDRASEC-JTQLQIEISA-N 0 0 248.276 3.841 10 0 BHAERN Cc1ccc([C@@H](C)Nc2cccc(F)n2)cc1F ZINC000094958103 386472329 /nfs/dbraw/zinc/47/23/29/386472329.db2.gz XXSRJPPZZMPADN-SNVBAGLBSA-N 0 0 248.276 3.841 10 0 BHAERN Cc1ccc([C@H](C)Nc2cccc(F)n2)cc1F ZINC000094958104 386472110 /nfs/dbraw/zinc/47/21/10/386472110.db2.gz XXSRJPPZZMPADN-JTQLQIEISA-N 0 0 248.276 3.841 10 0 BHAERN CSc1ccccc1N(C1CC1)C(F)(F)F ZINC000095076619 175583147 /nfs/dbraw/zinc/58/31/47/175583147.db2.gz LXRCXSOQFMYAMC-UHFFFAOYSA-N 0 0 247.285 3.897 10 0 BHAERN CSc1ccc(N(C2CC2)C(F)(F)F)cc1 ZINC000095076627 175576607 /nfs/dbraw/zinc/57/66/07/175576607.db2.gz ZWDGXTVYNQXUSL-UHFFFAOYSA-N 0 0 247.285 3.897 10 0 BHAERN CSc1cccc(N(C2CC2)C(F)(F)F)c1 ZINC000095076635 384352684 /nfs/dbraw/zinc/35/26/84/384352684.db2.gz XRSYHYCXCPXVLV-UHFFFAOYSA-N 0 0 247.285 3.897 10 0 BHAERN FC(F)(F)N(c1ccccc1Cl)C1CC1 ZINC000095076902 180886770 /nfs/dbraw/zinc/88/67/70/180886770.db2.gz ZQPJVKDLFJMDNK-UHFFFAOYSA-N 0 0 235.636 3.829 10 0 BHAERN FC(F)(F)N(c1cccc(Cl)c1)C1CC1 ZINC000095076905 384353230 /nfs/dbraw/zinc/35/32/30/384353230.db2.gz HCPFXJMVOCYSPG-UHFFFAOYSA-N 0 0 235.636 3.829 10 0 BHAERN FC(F)(F)N(c1ccc(Cl)cc1)C1CC1 ZINC000095076908 384352241 /nfs/dbraw/zinc/35/22/41/384352241.db2.gz RJCVISKGINSUQV-UHFFFAOYSA-N 0 0 235.636 3.829 10 0 BHAERN FC(F)(F)N(Cc1ccccc1Cl)C1CC1 ZINC000095076917 384352530 /nfs/dbraw/zinc/35/25/30/384352530.db2.gz SXTHHIUCBBYYQO-UHFFFAOYSA-N 0 0 249.663 3.824 10 0 BHAERN FC(F)(F)N(Cc1cccc(Cl)c1)C1CC1 ZINC000095076920 384352615 /nfs/dbraw/zinc/35/26/15/384352615.db2.gz SNWXNSIAJFIGFR-UHFFFAOYSA-N 0 0 249.663 3.824 10 0 BHAERN FC(F)(F)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000095076923 384352229 /nfs/dbraw/zinc/35/22/29/384352229.db2.gz HWSHXGPSGQOQIC-UHFFFAOYSA-N 0 0 249.663 3.824 10 0 BHAERN OCc1csc2c1cc(Cl)cc2Cl ZINC000095078377 183170333 /nfs/dbraw/zinc/17/03/33/183170333.db2.gz YDAHUKQVMKWVKO-UHFFFAOYSA-N 0 0 233.119 3.700 10 0 BHAERN FC1(F)Oc2ccccc2O[C@@H]1c1ccccc1 ZINC000095079739 180919883 /nfs/dbraw/zinc/91/98/83/180919883.db2.gz BFXLTLFAPWLNCE-CYBMUJFWSA-N 0 0 248.228 3.792 10 0 BHAERN FC1(F)Oc2ccccc2O[C@H]1c1ccccc1 ZINC000095079740 384357474 /nfs/dbraw/zinc/35/74/74/384357474.db2.gz BFXLTLFAPWLNCE-ZDUSSCGKSA-N 0 0 248.228 3.792 10 0 BHAERN CC(=O)SCc1c(Cl)cccc1Cl ZINC000095079861 384359327 /nfs/dbraw/zinc/35/93/27/384359327.db2.gz SIVNXFYLXUCBSI-UHFFFAOYSA-N 0 0 235.135 3.773 10 0 BHAERN FC(F)=C(Cl)[C@@](F)(Cl)C(F)(F)F ZINC000095080737 384359360 /nfs/dbraw/zinc/35/93/60/384359360.db2.gz JJPSNVRYEOHSAD-VKHMYHEASA-N 0 0 232.938 3.800 10 0 BHAERN FC(F)=C(Cl)[C@](F)(Cl)C(F)(F)F ZINC000095080738 187627730 /nfs/dbraw/zinc/62/77/30/187627730.db2.gz JJPSNVRYEOHSAD-GSVOUGTGSA-N 0 0 232.938 3.800 10 0 BHAERN COc1cccc(COc2cc(C)cc(C)c2)c1 ZINC000095080895 175270083 /nfs/dbraw/zinc/27/00/83/175270083.db2.gz BMNRQJDAHQDFEJ-UHFFFAOYSA-N 0 0 242.318 3.891 10 0 BHAERN CC(C)OC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000095081843 167152467 /nfs/dbraw/zinc/15/24/67/167152467.db2.gz BNTDNZXCHMAOQD-UHFFFAOYSA-N 0 0 236.355 3.545 10 0 BHAERN C/C=C/C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000095081863 384358598 /nfs/dbraw/zinc/35/85/98/384358598.db2.gz GREJHILDEQGOIC-GFUIURDCSA-N 0 0 245.366 3.638 10 0 BHAERN C/C=C/C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000095081864 187286539 /nfs/dbraw/zinc/28/65/39/187286539.db2.gz GREJHILDEQGOIC-URWSZGRFSA-N 0 0 245.366 3.638 10 0 BHAERN Cc1cc(C)c(-c2cn3ccccc3n2)cc1C ZINC000095081888 177835025 /nfs/dbraw/zinc/83/50/25/177835025.db2.gz UEUNHWWBMVWLHO-UHFFFAOYSA-N 0 0 236.318 3.927 10 0 BHAERN CCCOC(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000095082001 169300923 /nfs/dbraw/zinc/30/09/23/169300923.db2.gz MESZIYFOSAVVMD-UHFFFAOYSA-N 0 0 234.339 3.796 10 0 BHAERN COc1ccc(CCOc2ccc(C)cc2)cc1 ZINC000095082208 175092843 /nfs/dbraw/zinc/09/28/43/175092843.db2.gz LNZZHMHKMGMVTM-UHFFFAOYSA-N 0 0 242.318 3.625 10 0 BHAERN COc1ccc(CCOc2ccccc2C)cc1 ZINC000095082212 175092909 /nfs/dbraw/zinc/09/29/09/175092909.db2.gz OWAPWUIAWSYUGW-UHFFFAOYSA-N 0 0 242.318 3.625 10 0 BHAERN COc1cccc(COc2cc(C)ccc2C)c1 ZINC000095082243 175270046 /nfs/dbraw/zinc/27/00/46/175270046.db2.gz MZISGAGIBRRSJO-UHFFFAOYSA-N 0 0 242.318 3.891 10 0 BHAERN COc1nc2ccccc2cc1Cc1ccccc1 ZINC000095082254 175396615 /nfs/dbraw/zinc/39/66/15/175396615.db2.gz DUWVHIVDJMUEGX-UHFFFAOYSA-N 0 0 249.313 3.834 10 0 BHAERN Cc1ccccc1N(C(C)C)C(F)(F)F ZINC000095088040 179294988 /nfs/dbraw/zinc/29/49/88/179294988.db2.gz XIAYQFMGHXDSQF-UHFFFAOYSA-N 0 0 217.234 3.730 10 0 BHAERN CC(=O)c1ccccc1N(C(C)C)C(F)(F)F ZINC000095088042 384360388 /nfs/dbraw/zinc/36/03/88/384360388.db2.gz OFLUYAMFDPNEGO-UHFFFAOYSA-N 0 0 245.244 3.624 10 0 BHAERN CC(C)N(c1ccccc1F)C(F)(F)F ZINC000095088044 384360278 /nfs/dbraw/zinc/36/02/78/384360278.db2.gz GMLFUWBPHBAIJK-UHFFFAOYSA-N 0 0 221.197 3.560 10 0 BHAERN Cc1cccc(N(C(C)C)C(F)(F)F)c1 ZINC000095088049 179110770 /nfs/dbraw/zinc/11/07/70/179110770.db2.gz CWASPRTWJJBVPQ-UHFFFAOYSA-N 0 0 217.234 3.730 10 0 BHAERN CC(C)N(c1cccc(F)c1)C(F)(F)F ZINC000095088051 187454530 /nfs/dbraw/zinc/45/45/30/187454530.db2.gz OQXAJLBEDRIQPE-UHFFFAOYSA-N 0 0 221.197 3.560 10 0 BHAERN Cc1ccc(N(C(C)C)C(F)(F)F)cc1 ZINC000095088055 384359775 /nfs/dbraw/zinc/35/97/75/384359775.db2.gz IOTVKHBWIQPIQZ-UHFFFAOYSA-N 0 0 217.234 3.730 10 0 BHAERN CC(=O)c1ccc(N(C(C)C)C(F)(F)F)cc1 ZINC000095088057 166462216 /nfs/dbraw/zinc/46/22/16/166462216.db2.gz YMAPIFCPCZSRKO-UHFFFAOYSA-N 0 0 245.244 3.624 10 0 BHAERN CC(C)N(c1ccc(F)cc1)C(F)(F)F ZINC000095088059 384359899 /nfs/dbraw/zinc/35/98/99/384359899.db2.gz SDEOFOORCGKDFF-UHFFFAOYSA-N 0 0 221.197 3.560 10 0 BHAERN Cc1ccccc1CN(C(C)C)C(F)(F)F ZINC000095088066 179267336 /nfs/dbraw/zinc/26/73/36/179267336.db2.gz WIZLDRAOABLLKD-UHFFFAOYSA-N 0 0 231.261 3.725 10 0 BHAERN CC(C)N(Cc1ccccc1F)C(F)(F)F ZINC000095088075 191054016 /nfs/dbraw/zinc/05/40/16/191054016.db2.gz BBBIIQHBVWAGAT-UHFFFAOYSA-N 0 0 235.224 3.556 10 0 BHAERN Cc1cccc(CN(C(C)C)C(F)(F)F)c1 ZINC000095088085 384360697 /nfs/dbraw/zinc/36/06/97/384360697.db2.gz NLQHKGJWMROPBE-UHFFFAOYSA-N 0 0 231.261 3.725 10 0 BHAERN CC(C)N(Cc1cccc(F)c1)C(F)(F)F ZINC000095088092 384360615 /nfs/dbraw/zinc/36/06/15/384360615.db2.gz WWWBAOUHGGWMGK-UHFFFAOYSA-N 0 0 235.224 3.556 10 0 BHAERN Cc1ccc(CN(C(C)C)C(F)(F)F)cc1 ZINC000095088106 384361475 /nfs/dbraw/zinc/36/14/75/384361475.db2.gz IYYKXDZAGWAVRC-UHFFFAOYSA-N 0 0 231.261 3.725 10 0 BHAERN CC(C)N(Cc1ccc(F)cc1)C(F)(F)F ZINC000095088134 384360592 /nfs/dbraw/zinc/36/05/92/384360592.db2.gz RFVFHQYNPCXFGU-UHFFFAOYSA-N 0 0 235.224 3.556 10 0 BHAERN CC(C)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000095088382 167145851 /nfs/dbraw/zinc/14/58/51/167145851.db2.gz LEJBJXLIIRUIIY-UHFFFAOYSA-N 0 0 241.338 3.570 10 0 BHAERN CCc1ccccc1N(C(C)C)C(F)(F)F ZINC000095091049 384361580 /nfs/dbraw/zinc/36/15/80/384361580.db2.gz FLBOMMJBPRAZOP-UHFFFAOYSA-N 0 0 231.261 3.984 10 0 BHAERN CCc1ccccc1N(C1CC1)C(F)(F)F ZINC000095091051 384360293 /nfs/dbraw/zinc/36/02/93/384360293.db2.gz RETVWMHAQGUNIB-UHFFFAOYSA-N 0 0 229.245 3.738 10 0 BHAERN CCc1ccccc1CN(C(C)C)C(F)(F)F ZINC000095091052 384361125 /nfs/dbraw/zinc/36/11/25/384361125.db2.gz OTQSJBBRLHDQMK-UHFFFAOYSA-N 0 0 245.288 3.979 10 0 BHAERN CCc1ccccc1CN(C1CC1)C(F)(F)F ZINC000095091054 384360723 /nfs/dbraw/zinc/36/07/23/384360723.db2.gz KWPCGRVESVWJDH-UHFFFAOYSA-N 0 0 243.272 3.733 10 0 BHAERN CCc1ccc(N(C(C)C)C(F)(F)F)cc1 ZINC000095091060 384360792 /nfs/dbraw/zinc/36/07/92/384360792.db2.gz SGFAGJBKQOATIX-UHFFFAOYSA-N 0 0 231.261 3.984 10 0 BHAERN CCc1ccc(N(C2CC2)C(F)(F)F)cc1 ZINC000095091062 171815409 /nfs/dbraw/zinc/81/54/09/171815409.db2.gz SIKFWBMEZFJTAL-UHFFFAOYSA-N 0 0 229.245 3.738 10 0 BHAERN CCc1ccc(CN(C(C)C)C(F)(F)F)cc1 ZINC000095091063 384361630 /nfs/dbraw/zinc/36/16/30/384361630.db2.gz CHDNFIBLOWYGNU-UHFFFAOYSA-N 0 0 245.288 3.979 10 0 BHAERN CCc1ccc(CN(C2CC2)C(F)(F)F)cc1 ZINC000095091065 171795983 /nfs/dbraw/zinc/79/59/83/171795983.db2.gz BIYHIEISTXNHJT-UHFFFAOYSA-N 0 0 243.272 3.733 10 0 BHAERN CCc1cccc(N(C(C)C)C(F)(F)F)c1 ZINC000095091068 171858714 /nfs/dbraw/zinc/85/87/14/171858714.db2.gz XBNIIXWMCUDPIC-UHFFFAOYSA-N 0 0 231.261 3.984 10 0 BHAERN CCc1cccc(N(C2CC2)C(F)(F)F)c1 ZINC000095091070 384360393 /nfs/dbraw/zinc/36/03/93/384360393.db2.gz XDZKKZNSRUIWAJ-UHFFFAOYSA-N 0 0 229.245 3.738 10 0 BHAERN CCc1cccc(CN(C(C)C)C(F)(F)F)c1 ZINC000095091071 171855749 /nfs/dbraw/zinc/85/57/49/171855749.db2.gz WHCGFJKECOWYHZ-UHFFFAOYSA-N 0 0 245.288 3.979 10 0 BHAERN CCc1cccc(CN(C2CC2)C(F)(F)F)c1 ZINC000095091073 384361396 /nfs/dbraw/zinc/36/13/96/384361396.db2.gz ICAMSEZNYIHBOL-UHFFFAOYSA-N 0 0 243.272 3.733 10 0 BHAERN CCc1ccccc1N(CC)C(F)(F)F ZINC000095091087 384360673 /nfs/dbraw/zinc/36/06/73/384360673.db2.gz LEEOZDCVYXUPGF-UHFFFAOYSA-N 0 0 217.234 3.595 10 0 BHAERN CCN(c1ccccc1Cl)C(F)(F)F ZINC000095091088 344333084 /nfs/dbraw/zinc/33/30/84/344333084.db2.gz OBCQJEVBEFBGHU-UHFFFAOYSA-N 0 0 223.625 3.686 10 0 BHAERN CCN(c1ccccc1SC)C(F)(F)F ZINC000095091093 344332984 /nfs/dbraw/zinc/33/29/84/344332984.db2.gz QTPKKVMBQITEFN-UHFFFAOYSA-N 0 0 235.274 3.755 10 0 BHAERN CCc1cccc(N(CC)C(F)(F)F)c1 ZINC000095091098 384361596 /nfs/dbraw/zinc/36/15/96/384361596.db2.gz GKMLRQBVXBIFEH-UHFFFAOYSA-N 0 0 217.234 3.595 10 0 BHAERN CCN(c1cccc(Cl)c1)C(F)(F)F ZINC000095091099 344333106 /nfs/dbraw/zinc/33/31/06/344333106.db2.gz IZEFOBGYRIANMA-UHFFFAOYSA-N 0 0 223.625 3.686 10 0 BHAERN CCN(c1cccc(SC)c1)C(F)(F)F ZINC000095091104 344333033 /nfs/dbraw/zinc/33/30/33/344333033.db2.gz FFCFGCUSPWFYRZ-UHFFFAOYSA-N 0 0 235.274 3.755 10 0 BHAERN CCc1ccc(N(CC)C(F)(F)F)cc1 ZINC000095091110 384360922 /nfs/dbraw/zinc/36/09/22/384360922.db2.gz IVILROCTDALSKP-UHFFFAOYSA-N 0 0 217.234 3.595 10 0 BHAERN CCN(c1ccc(Cl)cc1)C(F)(F)F ZINC000095091111 169942133 /nfs/dbraw/zinc/94/21/33/169942133.db2.gz JVHBWQOZXHKAKL-UHFFFAOYSA-N 0 0 223.625 3.686 10 0 BHAERN CCN(c1ccc(SC)cc1)C(F)(F)F ZINC000095091116 169942244 /nfs/dbraw/zinc/94/22/44/169942244.db2.gz ZZSVGOGYRUEJTG-UHFFFAOYSA-N 0 0 235.274 3.755 10 0 BHAERN CCc1ccccc1CN(CC)C(F)(F)F ZINC000095091125 171878587 /nfs/dbraw/zinc/87/85/87/171878587.db2.gz BYGDUBWLJGCDMW-UHFFFAOYSA-N 0 0 231.261 3.591 10 0 BHAERN CCN(Cc1ccccc1Cl)C(F)(F)F ZINC000095091126 344332839 /nfs/dbraw/zinc/33/28/39/344332839.db2.gz GGMZHJDGVBYRMK-UHFFFAOYSA-N 0 0 237.652 3.682 10 0 BHAERN CCN(Cc1ccccc1SC)C(F)(F)F ZINC000095091141 344332850 /nfs/dbraw/zinc/33/28/50/344332850.db2.gz QBSRCIJQEVYESE-UHFFFAOYSA-N 0 0 249.301 3.750 10 0 BHAERN CCc1cccc(CN(CC)C(F)(F)F)c1 ZINC000095091146 384360607 /nfs/dbraw/zinc/36/06/07/384360607.db2.gz IQCMZUVMJAKLTH-UHFFFAOYSA-N 0 0 231.261 3.591 10 0 BHAERN CCN(Cc1cccc(Cl)c1)C(F)(F)F ZINC000095091147 344333082 /nfs/dbraw/zinc/33/30/82/344333082.db2.gz GBSWPYXDOYFVCH-UHFFFAOYSA-N 0 0 237.652 3.682 10 0 BHAERN CCN(Cc1cccc(SC)c1)C(F)(F)F ZINC000095091157 344333054 /nfs/dbraw/zinc/33/30/54/344333054.db2.gz IXAUEDHZDSYFBQ-UHFFFAOYSA-N 0 0 249.301 3.750 10 0 BHAERN CCc1ccc(CN(CC)C(F)(F)F)cc1 ZINC000095091178 171796311 /nfs/dbraw/zinc/79/63/11/171796311.db2.gz IWSFWLIZXCFEFE-UHFFFAOYSA-N 0 0 231.261 3.591 10 0 BHAERN CCN(Cc1ccc(Cl)cc1)C(F)(F)F ZINC000095091189 344332992 /nfs/dbraw/zinc/33/29/92/344332992.db2.gz KNSPHGLAGVZIEI-UHFFFAOYSA-N 0 0 237.652 3.682 10 0 BHAERN CCN(Cc1ccc(SC)cc1)C(F)(F)F ZINC000095091206 344332930 /nfs/dbraw/zinc/33/29/30/344332930.db2.gz FTSADGIOVQEMQA-UHFFFAOYSA-N 0 0 249.301 3.750 10 0 BHAERN CCCc1cc2c(nc(Cl)nc2Cl)s1 ZINC000095093138 388759909 /nfs/dbraw/zinc/75/99/09/388759909.db2.gz JEVCROROWVUHGL-UHFFFAOYSA-N 0 0 247.150 3.951 10 0 BHAERN CC(C)(C)Oc1ccccc1C(F)(F)F ZINC000095093308 384363921 /nfs/dbraw/zinc/36/39/21/384363921.db2.gz MTFDNOVBCVEBDH-UHFFFAOYSA-N 0 0 218.218 3.883 10 0 BHAERN CCOc1ccc(N)c(Nc2ccccc2F)c1 ZINC000095347976 384369494 /nfs/dbraw/zinc/36/94/94/384369494.db2.gz PEINJBHUGHCZPL-UHFFFAOYSA-N 0 0 246.285 3.550 10 0 BHAERN CCCCC[C@@H]1CC(=O)c2cc(OC)ccc2O1 ZINC000095552746 168740584 /nfs/dbraw/zinc/74/05/84/168740584.db2.gz FLYJFPXPWQGLCZ-GFCCVEGCSA-N 0 0 248.322 3.609 10 0 BHAERN CCCCC[C@H]1CC(=O)c2cc(OC)ccc2O1 ZINC000095552747 168746972 /nfs/dbraw/zinc/74/69/72/168746972.db2.gz FLYJFPXPWQGLCZ-LBPRGKRZSA-N 0 0 248.322 3.609 10 0 BHAERN O=Cc1cc(F)ccc1-c1ccc(Cl)cc1 ZINC000095596486 182863274 /nfs/dbraw/zinc/86/32/74/182863274.db2.gz RTEOQTCYNDALCZ-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN c1coc(Cc2coc(Cc3ccco3)c2)c1 ZINC000095618199 571797561 /nfs/dbraw/zinc/79/75/61/571797561.db2.gz MLLNFQCJOXJITQ-UHFFFAOYSA-N 0 0 228.247 3.647 10 0 endogenous,in-man BHAERN C[C@@H]1[C@H](C)C1(Cl)Sc1ccccc1 ZINC000095627047 177414485 /nfs/dbraw/zinc/41/44/85/177414485.db2.gz GJNDPBXIKNJNPJ-SLHIUPAKSA-N 0 0 212.745 4.000 10 0 BHAERN CC1(C)C[C@@H]2[C@@H]1CC[C@]1(C)CCC[C@@]2(O)C1 ZINC000095627992 574417134 /nfs/dbraw/zinc/41/71/34/574417134.db2.gz FUQAYSQLAOJBBC-MYZSUADSSA-N 0 0 222.372 3.754 10 0 endogenous,in-man BHAERN CCn1c2ccccc2c2cc([C@@H](C)O)ccc21 ZINC000095637084 346079756 /nfs/dbraw/zinc/07/97/56/346079756.db2.gz UGIQHFSXIVCUIU-LLVKDONJSA-N 0 0 239.318 3.868 10 0 BHAERN CCn1c2ccccc2c2cc([C@H](C)O)ccc21 ZINC000095637115 346079709 /nfs/dbraw/zinc/07/97/09/346079709.db2.gz UGIQHFSXIVCUIU-NSHDSACASA-N 0 0 239.318 3.868 10 0 BHAERN Nc1ccc2c3c1cccc3C(=O)c1ccccc1-2 ZINC000095669964 346080368 /nfs/dbraw/zinc/08/03/68/346080368.db2.gz ZXPXRBDYCANCCU-UHFFFAOYSA-N 0 0 245.281 3.633 10 0 BHAERN CNc1ccc(C(C)(C)C)cc1Br ZINC000095705236 256642706 /nfs/dbraw/zinc/64/27/06/256642706.db2.gz KVJYILDIVAMHQO-UHFFFAOYSA-N 0 0 242.160 3.788 10 0 BHAERN Clc1ccc(OC2CC2)c(Cl)c1 ZINC000095709753 180583889 /nfs/dbraw/zinc/58/38/89/180583889.db2.gz GXQHRPYCQIYELR-UHFFFAOYSA-N 0 0 203.068 3.535 10 0 BHAERN Clc1ccc(OC2CC2)c(Br)c1 ZINC000095709757 180583994 /nfs/dbraw/zinc/58/39/94/180583994.db2.gz VCQMOEMUXLICJC-UHFFFAOYSA-N 0 0 247.519 3.644 10 0 BHAERN CC(C)(C)c1c(O)cccc1C(F)(F)F ZINC000095709802 187973775 /nfs/dbraw/zinc/97/37/75/187973775.db2.gz QLEDOUCQDQSARY-UHFFFAOYSA-N 0 0 218.218 3.709 10 0 BHAERN CC(C)(C)c1cc(C(F)(F)F)ccc1O ZINC000095709817 187455854 /nfs/dbraw/zinc/45/58/54/187455854.db2.gz SRLWPNSLRHQDMT-UHFFFAOYSA-N 0 0 218.218 3.709 10 0 BHAERN CC(C)(C)c1cc(O)cc(C(F)(F)F)c1 ZINC000095709827 188147117 /nfs/dbraw/zinc/14/71/17/188147117.db2.gz XIGJFCBTDSQEBE-UHFFFAOYSA-N 0 0 218.218 3.709 10 0 BHAERN CC(C)(C)c1ccc(C(F)(F)F)cc1O ZINC000095709853 187287530 /nfs/dbraw/zinc/28/75/30/187287530.db2.gz TUFIIZSGSCVJQD-UHFFFAOYSA-N 0 0 218.218 3.709 10 0 BHAERN CC(C)(C)Oc1c(O)cccc1C(C)(C)C ZINC000095709953 187627975 /nfs/dbraw/zinc/62/79/75/187627975.db2.gz BIDHZLMRZWUUPH-UHFFFAOYSA-N 0 0 222.328 3.867 10 0 BHAERN CC(C)(C)Oc1cc(C(F)(F)F)ccc1O ZINC000095709975 188146411 /nfs/dbraw/zinc/14/64/11/188146411.db2.gz NBLDYJYMOREMCU-UHFFFAOYSA-N 0 0 234.217 3.588 10 0 BHAERN CC(C)(C)Oc1cc(O)ccc1C(F)(F)F ZINC000095710025 188320119 /nfs/dbraw/zinc/32/01/19/188320119.db2.gz ZUTMIBYCXLIHGF-UHFFFAOYSA-N 0 0 234.217 3.588 10 0 BHAERN CC(C)(C)Oc1ccc(C(F)(F)F)c(O)c1 ZINC000095710051 166686624 /nfs/dbraw/zinc/68/66/24/166686624.db2.gz UGWNJFTXMKRLKS-UHFFFAOYSA-N 0 0 234.217 3.588 10 0 BHAERN CC(C)(C)Oc1ccc(O)c(C(C)(C)C)c1 ZINC000095710086 166686395 /nfs/dbraw/zinc/68/63/95/166686395.db2.gz IHHGGBSHYHADSR-UHFFFAOYSA-N 0 0 222.328 3.867 10 0 BHAERN CC(C)(C)Oc1ccc(O)cc1C(C)(C)C ZINC000095710110 187287699 /nfs/dbraw/zinc/28/76/99/187287699.db2.gz KGMQPCSEDLFKMS-UHFFFAOYSA-N 0 0 222.328 3.867 10 0 BHAERN CC(C)(C)Oc1ccc(O)cc1C(F)(F)F ZINC000095710112 187287585 /nfs/dbraw/zinc/28/75/85/187287585.db2.gz XRQUYZBOPPOZOQ-UHFFFAOYSA-N 0 0 234.217 3.588 10 0 BHAERN CC(C)(C)Oc1cccc(O)c1C(C)(C)C ZINC000095710164 187288269 /nfs/dbraw/zinc/28/82/69/187288269.db2.gz CMVBZIHJSXDVOM-UHFFFAOYSA-N 0 0 222.328 3.867 10 0 BHAERN CC(C)(C)Oc1cc(O)cc(CC2CC2)c1 ZINC000095710208 188319690 /nfs/dbraw/zinc/31/96/90/188319690.db2.gz LIOXANHVJZFVIJ-UHFFFAOYSA-N 0 0 220.312 3.522 10 0 BHAERN CC(C)(C)Oc1ccc(CC2CC2)c(O)c1 ZINC000095710223 166686661 /nfs/dbraw/zinc/68/66/61/166686661.db2.gz XEZDACBFLRUZMS-UHFFFAOYSA-N 0 0 220.312 3.522 10 0 BHAERN CC(C)(C)Oc1ccc(O)c(CC2CC2)c1 ZINC000095710230 166686109 /nfs/dbraw/zinc/68/61/09/166686109.db2.gz GXADKRINCCZRNS-UHFFFAOYSA-N 0 0 220.312 3.522 10 0 BHAERN CC(C)(C)Oc1cccc(CC2CC2)c1O ZINC000095710251 187287472 /nfs/dbraw/zinc/28/74/72/187287472.db2.gz JNYDEAAEJGJCHY-UHFFFAOYSA-N 0 0 220.312 3.522 10 0 BHAERN CC(C)(C)Oc1cccc(O)c1CC1CC1 ZINC000095710254 187974245 /nfs/dbraw/zinc/97/42/45/187974245.db2.gz RQRPHIFMIQQFOF-UHFFFAOYSA-N 0 0 220.312 3.522 10 0 BHAERN CC(C)c1c(O)cccc1C(F)(F)F ZINC000095710273 167554930 /nfs/dbraw/zinc/55/49/30/167554930.db2.gz MGTMPWWKTOCSIB-UHFFFAOYSA-N 0 0 204.191 3.534 10 0 BHAERN CC(C)c1cc(O)ccc1C(F)(F)F ZINC000095710347 167577585 /nfs/dbraw/zinc/57/75/85/167577585.db2.gz GXBPFHVMKLYJLC-UHFFFAOYSA-N 0 0 204.191 3.534 10 0 BHAERN CC(C)c1ccc(C(F)(F)F)cc1O ZINC000095710368 167592439 /nfs/dbraw/zinc/59/24/39/167592439.db2.gz YSOVGTQMWGABRP-UHFFFAOYSA-N 0 0 204.191 3.534 10 0 BHAERN CC(C)c1ccc(OC(C)(C)C)c(O)c1 ZINC000095710427 167607261 /nfs/dbraw/zinc/60/72/61/167607261.db2.gz BOBMHKJIROCHAR-UHFFFAOYSA-N 0 0 208.301 3.693 10 0 BHAERN Cc1cc(O)cc(CC2CCCCC2)c1 ZINC000095710936 178200030 /nfs/dbraw/zinc/20/00/30/178200030.db2.gz ZOPHWSKUSYSYNH-UHFFFAOYSA-N 0 0 204.313 3.823 10 0 BHAERN Cc1cccc(O)c1CC1CCCCC1 ZINC000095710986 179161073 /nfs/dbraw/zinc/16/10/73/179161073.db2.gz BXBMDGIROYEXPN-UHFFFAOYSA-N 0 0 204.313 3.823 10 0 BHAERN Cc1c(O)cccc1CC1CCCCC1 ZINC000095710999 177622245 /nfs/dbraw/zinc/62/22/45/177622245.db2.gz QAJJOTDHVHMDJD-UHFFFAOYSA-N 0 0 204.313 3.823 10 0 BHAERN Cc1cccc(CC2CCCCC2)c1O ZINC000095711018 179052742 /nfs/dbraw/zinc/05/27/42/179052742.db2.gz CAFDXCQYGGHFAB-UHFFFAOYSA-N 0 0 204.313 3.823 10 0 BHAERN CCc1ccc(OC2CCCCC2)cc1O ZINC000095711173 171827041 /nfs/dbraw/zinc/82/70/41/171827041.db2.gz PAEVNCVAVFUTEM-UHFFFAOYSA-N 0 0 220.312 3.666 10 0 BHAERN CCc1ccc(Br)cc1OC1CC1 ZINC000095712460 187974349 /nfs/dbraw/zinc/97/43/49/187974349.db2.gz XCJBGZKTFFMANF-UHFFFAOYSA-N 0 0 241.128 3.553 10 0 BHAERN CC(C)(C)c1cc(O)cc(CC2CC2)c1 ZINC000095712643 188320501 /nfs/dbraw/zinc/32/05/01/188320501.db2.gz JZJUSRSDKQTHDK-UHFFFAOYSA-N 0 0 204.313 3.642 10 0 BHAERN CC(C)Oc1ccc(OC2CC2)c(Cl)c1 ZINC000095713479 167297928 /nfs/dbraw/zinc/29/79/28/167297928.db2.gz BSPHKEPYBBNFMV-UHFFFAOYSA-N 0 0 226.703 3.668 10 0 BHAERN CC(C)Oc1cc(OC2CC2)ccc1Cl ZINC000095713920 167288224 /nfs/dbraw/zinc/28/82/24/167288224.db2.gz OAQCFYRYMMNQLF-UHFFFAOYSA-N 0 0 226.703 3.668 10 0 BHAERN CSc1ccc(OC2CCCCC2)c(O)c1 ZINC000095713937 188499857 /nfs/dbraw/zinc/49/98/57/188499857.db2.gz SYIQUPUQKNGHSR-UHFFFAOYSA-N 0 0 238.352 3.826 10 0 BHAERN CCc1ccc(OC2CC2)c(SC)c1 ZINC000095713997 171826427 /nfs/dbraw/zinc/82/64/27/171826427.db2.gz XGUANFQMLAWBQM-UHFFFAOYSA-N 0 0 208.326 3.512 10 0 BHAERN CC(C)(C)c1ccc(CC2CC2)cc1O ZINC000095714006 188146313 /nfs/dbraw/zinc/14/63/13/188146313.db2.gz UVOIIQBARHAJEJ-UHFFFAOYSA-N 0 0 204.313 3.642 10 0 BHAERN CCc1ccc(OC(C)C)c(OC2CC2)c1 ZINC000095714080 171824367 /nfs/dbraw/zinc/82/43/67/171824367.db2.gz TWIYZXLZAZRYHS-UHFFFAOYSA-N 0 0 220.312 3.577 10 0 BHAERN CC(C)Oc1cccc(Cl)c1OC1CC1 ZINC000095719562 167307144 /nfs/dbraw/zinc/30/71/44/167307144.db2.gz YLUPMQDLSMSYHX-UHFFFAOYSA-N 0 0 226.703 3.668 10 0 BHAERN Oc1cc(F)cc(CC2CCCCC2)c1 ZINC000095719572 183258594 /nfs/dbraw/zinc/25/85/94/183258594.db2.gz LPYNYQJLUANQFM-UHFFFAOYSA-N 0 0 208.276 3.654 10 0 BHAERN CCc1cc(C(C)C)ccc1OC1CC1 ZINC000095719620 171756764 /nfs/dbraw/zinc/75/67/64/171756764.db2.gz AIKXPAAMCYNKTA-UHFFFAOYSA-N 0 0 204.313 3.914 10 0 BHAERN Oc1cc(F)ccc1CC1CCCCC1 ZINC000095719771 188319910 /nfs/dbraw/zinc/31/99/10/188319910.db2.gz KWNWJBIAGXSOCV-UHFFFAOYSA-N 0 0 208.276 3.654 10 0 BHAERN CSc1ccc(O)c(OC2CCCCC2)c1 ZINC000095719790 187974203 /nfs/dbraw/zinc/97/42/03/187974203.db2.gz XDIRCKUGVSBUMS-UHFFFAOYSA-N 0 0 238.352 3.826 10 0 BHAERN CC(C)(C)Oc1ccc(F)c(OC2CC2)c1 ZINC000095719795 166686334 /nfs/dbraw/zinc/68/63/34/166686334.db2.gz NGVHWQKEYYDMCX-UHFFFAOYSA-N 0 0 224.275 3.544 10 0 BHAERN CCc1c(OC(C)C)cccc1OC1CC1 ZINC000095719802 171745195 /nfs/dbraw/zinc/74/51/95/171745195.db2.gz CJSWBJJDTBEHOY-UHFFFAOYSA-N 0 0 220.312 3.577 10 0 BHAERN CC(C)(C)c1ccc(OC2CC2)c(Cl)n1 ZINC000095719810 187287427 /nfs/dbraw/zinc/28/74/27/187287427.db2.gz WFARNGMWUNRUKC-UHFFFAOYSA-N 0 0 225.719 3.574 10 0 BHAERN Cc1cccc(C(F)(F)F)c1OC1CC1 ZINC000095719865 179029365 /nfs/dbraw/zinc/02/93/65/179029365.db2.gz XODWGEGBXHXVHZ-UHFFFAOYSA-N 0 0 216.202 3.555 10 0 BHAERN COc1cc(O)cc(CC2CCCCC2)c1 ZINC000095719889 175005891 /nfs/dbraw/zinc/00/58/91/175005891.db2.gz ASWLCXZMMSESSG-UHFFFAOYSA-N 0 0 220.312 3.524 10 0 BHAERN CCc1ccc(OC2CC2)cc1Br ZINC000095719897 171826793 /nfs/dbraw/zinc/82/67/93/171826793.db2.gz GTEGZLUKZHNRQQ-UHFFFAOYSA-N 0 0 241.128 3.553 10 0 BHAERN CC(C)c1cnc(C(C)C)c(OC2CC2)c1 ZINC000095720105 187287410 /nfs/dbraw/zinc/28/74/10/187287410.db2.gz BSNSEWCSLYXUTA-UHFFFAOYSA-N 0 0 219.328 3.870 10 0 BHAERN CC(C)Oc1cc(Cl)ccc1OC1CC1 ZINC000095721140 167286589 /nfs/dbraw/zinc/28/65/89/167286589.db2.gz UEDZACBDMGUUSK-UHFFFAOYSA-N 0 0 226.703 3.668 10 0 BHAERN Cc1cc(OC2CC2)cc(OC(C)(C)C)c1 ZINC000095721172 178208553 /nfs/dbraw/zinc/20/85/53/178208553.db2.gz GZKYEVQTJBUJGE-UHFFFAOYSA-N 0 0 220.312 3.714 10 0 BHAERN CCc1c(OC2CC2)cccc1C(F)(F)F ZINC000095721196 171745534 /nfs/dbraw/zinc/74/55/34/171745534.db2.gz CDLKHIPMJQBFFU-UHFFFAOYSA-N 0 0 230.229 3.809 10 0 BHAERN CCc1ccc(OC2CC2)c(OC(C)C)c1 ZINC000095721234 171826499 /nfs/dbraw/zinc/82/64/99/171826499.db2.gz LERKQYQXDAKGCP-UHFFFAOYSA-N 0 0 220.312 3.577 10 0 BHAERN CC(C)(C)c1nc(Cl)ccc1OC1CC1 ZINC000095721375 187974555 /nfs/dbraw/zinc/97/45/55/187974555.db2.gz TVNGRGPMVHTTIB-UHFFFAOYSA-N 0 0 225.719 3.574 10 0 BHAERN Cc1c(OC2CC2)cccc1OC(C)(C)C ZINC000095721667 177624452 /nfs/dbraw/zinc/62/44/52/177624452.db2.gz DWHBZKKAOGCGDX-UHFFFAOYSA-N 0 0 220.312 3.714 10 0 BHAERN Cc1c(OC2CC2)cccc1C(F)(F)F ZINC000095721798 177624322 /nfs/dbraw/zinc/62/43/22/177624322.db2.gz UMPKFBAYXNNRIL-UHFFFAOYSA-N 0 0 216.202 3.555 10 0 BHAERN CC(C)c1cncc(C(C)C)c1OC1CC1 ZINC000095721963 188146805 /nfs/dbraw/zinc/14/68/05/188146805.db2.gz ZWKPRLMQOYZWMP-UHFFFAOYSA-N 0 0 219.328 3.870 10 0 BHAERN Oc1cccc(CC2CCCCC2)c1F ZINC000095722015 183287775 /nfs/dbraw/zinc/28/77/75/183287775.db2.gz UWPNBDGLKATGFX-UHFFFAOYSA-N 0 0 208.276 3.654 10 0 BHAERN Cc1cc(OC2CC2)ccc1C(F)(F)F ZINC000095722071 178207687 /nfs/dbraw/zinc/20/76/87/178207687.db2.gz YYDRGDBYZAIGJL-UHFFFAOYSA-N 0 0 216.202 3.555 10 0 BHAERN Oc1ccc(F)c(CC2CCCCC2)c1 ZINC000095722089 183273965 /nfs/dbraw/zinc/27/39/65/183273965.db2.gz UBBHKOVNUXPGPX-UHFFFAOYSA-N 0 0 208.276 3.654 10 0 BHAERN CC(C)Oc1ccc(Cl)c(OC2CC2)c1 ZINC000095722147 167293382 /nfs/dbraw/zinc/29/33/82/167293382.db2.gz FMRGOZKHBFZWKB-UHFFFAOYSA-N 0 0 226.703 3.668 10 0 BHAERN Oc1ccc(F)cc1CC1CCCCC1 ZINC000095722175 183275826 /nfs/dbraw/zinc/27/58/26/183275826.db2.gz SMGLZRMOLBTYFR-UHFFFAOYSA-N 0 0 208.276 3.654 10 0 BHAERN CC(C)Oc1ccc(Cl)cc1OC1CC1 ZINC000095722214 167293888 /nfs/dbraw/zinc/29/38/88/167293888.db2.gz FDMHJYIYFBUVKO-UHFFFAOYSA-N 0 0 226.703 3.668 10 0 BHAERN CC(C)(C)c1cc(OC2CC2)c(Cl)cn1 ZINC000095722217 188320602 /nfs/dbraw/zinc/32/06/02/188320602.db2.gz XYLXEINMAHQHNW-UHFFFAOYSA-N 0 0 225.719 3.574 10 0 BHAERN COc1ccc(O)c(CC2CCCCC2)c1 ZINC000095722295 175157676 /nfs/dbraw/zinc/15/76/76/175157676.db2.gz RXRQEUDOFDJZHF-UHFFFAOYSA-N 0 0 220.312 3.524 10 0 BHAERN CNc1ccc(CC2CCCCC2)c(O)c1 ZINC000095722419 188146439 /nfs/dbraw/zinc/14/64/39/188146439.db2.gz LLZPRXQSJYCXHZ-UHFFFAOYSA-N 0 0 219.328 3.557 10 0 BHAERN CCc1cc(Br)ccc1OC1CC1 ZINC000095722631 187800586 /nfs/dbraw/zinc/80/05/86/187800586.db2.gz JDEQLYUKPPBHOL-UHFFFAOYSA-N 0 0 241.128 3.553 10 0 BHAERN CC(C)(C)Oc1ccc(OC2CC2)c(F)c1 ZINC000095722841 187627454 /nfs/dbraw/zinc/62/74/54/187627454.db2.gz VINAIJAKXRADLG-UHFFFAOYSA-N 0 0 224.275 3.544 10 0 BHAERN Cc1cccc(C(C)(C)C)c1OC1CC1 ZINC000095722893 179027006 /nfs/dbraw/zinc/02/70/06/179027006.db2.gz PEUCNTMGEVEBHT-UHFFFAOYSA-N 0 0 204.313 3.834 10 0 BHAERN CC(C)(C)c1nccc(Cl)c1OC1CC1 ZINC000095722915 188319833 /nfs/dbraw/zinc/31/98/33/188319833.db2.gz DTOOLLCTHHFQNK-UHFFFAOYSA-N 0 0 225.719 3.574 10 0 BHAERN CCc1ccc(SC)cc1OC1CC1 ZINC000095722959 171828176 /nfs/dbraw/zinc/82/81/76/171828176.db2.gz APPWAUHJFPLJFN-UHFFFAOYSA-N 0 0 208.326 3.512 10 0 BHAERN CC(C)(C)c1cc(OC2CC2)ccc1F ZINC000095723045 188147325 /nfs/dbraw/zinc/14/73/25/188147325.db2.gz YIIQRWQBDUSEJK-UHFFFAOYSA-N 0 0 208.276 3.664 10 0 BHAERN Cc1cccc(OC2CC2)c1C(F)(F)F ZINC000095723109 179163857 /nfs/dbraw/zinc/16/38/57/179163857.db2.gz UAWHMULUGUMICS-UHFFFAOYSA-N 0 0 216.202 3.555 10 0 BHAERN CCc1ccc(C(F)(F)F)cc1OC1CC1 ZINC000095723173 171789376 /nfs/dbraw/zinc/78/93/76/171789376.db2.gz OPMFOTCRKUTVQT-UHFFFAOYSA-N 0 0 230.229 3.809 10 0 BHAERN Oc1cccc(F)c1CC1CCCCC1 ZINC000095723197 183292570 /nfs/dbraw/zinc/29/25/70/183292570.db2.gz KXKLYKBZEGNFFZ-UHFFFAOYSA-N 0 0 208.276 3.654 10 0 BHAERN Cc1ccc(O)cc1CC1CCCCC1 ZINC000095723242 178806410 /nfs/dbraw/zinc/80/64/10/178806410.db2.gz VNXTWYXUNBBFRM-UHFFFAOYSA-N 0 0 204.313 3.823 10 0 BHAERN Cc1cc(OC(C)(C)C)ccc1OC1CC1 ZINC000095723272 178206349 /nfs/dbraw/zinc/20/63/49/178206349.db2.gz BMCITCYPVBENEE-UHFFFAOYSA-N 0 0 220.312 3.714 10 0 BHAERN Oc1ccc(CC2CCCCC2)c(F)c1 ZINC000095723367 183269396 /nfs/dbraw/zinc/26/93/96/183269396.db2.gz RAGVPZQUCBXSNG-UHFFFAOYSA-N 0 0 208.276 3.654 10 0 BHAERN CC(C)Oc1c(Cl)cccc1OC1CC1 ZINC000095723383 167284506 /nfs/dbraw/zinc/28/45/06/167284506.db2.gz PKTCEULRXKDYDU-UHFFFAOYSA-N 0 0 226.703 3.668 10 0 BHAERN Oc1ccc(CC2CCCCC2)cc1F ZINC000095723561 183269013 /nfs/dbraw/zinc/26/90/13/183269013.db2.gz SLRJUMFOOUCQDY-UHFFFAOYSA-N 0 0 208.276 3.654 10 0 BHAERN Oc1cccc(OC2CCCCC2)c1Cl ZINC000095723619 183293349 /nfs/dbraw/zinc/29/33/49/183293349.db2.gz BMIYPFALWDEBPL-UHFFFAOYSA-N 0 0 226.703 3.757 10 0 BHAERN COc1cccc(CC2CCCCC2)c1O ZINC000095723624 175250504 /nfs/dbraw/zinc/25/05/04/175250504.db2.gz DGJDCFBLDZSSJV-UHFFFAOYSA-N 0 0 220.312 3.524 10 0 BHAERN CNc1ccc(CC2CCCCC2)cc1O ZINC000095723713 187287390 /nfs/dbraw/zinc/28/73/90/187287390.db2.gz DMBKJVDSFOBDEQ-UHFFFAOYSA-N 0 0 219.328 3.557 10 0 BHAERN CC(C)(C)c1cncc(Cl)c1OC1CC1 ZINC000095723729 188319804 /nfs/dbraw/zinc/31/98/04/188319804.db2.gz FQFCHWAPCWZKRZ-UHFFFAOYSA-N 0 0 225.719 3.574 10 0 BHAERN CC(C)(C)c1cnc(Cl)cc1OC1CC1 ZINC000095723806 188500215 /nfs/dbraw/zinc/50/02/15/188500215.db2.gz GQOURHWGFPYYDH-UHFFFAOYSA-N 0 0 225.719 3.574 10 0 BHAERN COc1ccc(CC2CCCCC2)c(O)c1 ZINC000095723923 188146617 /nfs/dbraw/zinc/14/66/17/188146617.db2.gz YXJQEXDYBYKQRZ-UHFFFAOYSA-N 0 0 220.312 3.524 10 0 BHAERN CC(C)(C)c1ccc(O)cc1CC1CC1 ZINC000095723942 188320419 /nfs/dbraw/zinc/32/04/19/188320419.db2.gz GTGSWRKASJAGCL-UHFFFAOYSA-N 0 0 204.313 3.642 10 0 BHAERN CC(C)(C)c1ccc(OC2CC2)cc1F ZINC000095723943 188319718 /nfs/dbraw/zinc/31/97/18/188319718.db2.gz MZDQFBRZCCJUAW-UHFFFAOYSA-N 0 0 208.276 3.664 10 0 BHAERN COc1cc(O)ccc1CC1CCCCC1 ZINC000095723958 175006133 /nfs/dbraw/zinc/00/61/33/175006133.db2.gz OTAPWTGCNPMJAM-UHFFFAOYSA-N 0 0 220.312 3.524 10 0 BHAERN CSc1ccc(O)cc1OC1CCCCC1 ZINC000095724042 188146846 /nfs/dbraw/zinc/14/68/46/188146846.db2.gz SUQGNKQYXHOZLQ-UHFFFAOYSA-N 0 0 238.352 3.826 10 0 BHAERN CCc1cc(OC2CC2)ccc1OC(C)C ZINC000095724173 171773053 /nfs/dbraw/zinc/77/30/53/171773053.db2.gz VVJPPXKLRBJAFI-UHFFFAOYSA-N 0 0 220.312 3.577 10 0 BHAERN CC(C)Oc1ccc(OC2CC2)cc1Cl ZINC000095724293 167296685 /nfs/dbraw/zinc/29/66/85/167296685.db2.gz LYKBOOOYIJNNNF-UHFFFAOYSA-N 0 0 226.703 3.668 10 0 BHAERN Oc1ccc(OC2CCCCC2)c(Cl)c1 ZINC000095724299 183277332 /nfs/dbraw/zinc/27/73/32/183277332.db2.gz YZDOFPIYYFCILQ-UHFFFAOYSA-N 0 0 226.703 3.757 10 0 BHAERN CCc1cc(Br)cc(OC2CC2)c1 ZINC000095724322 188320293 /nfs/dbraw/zinc/32/02/93/188320293.db2.gz HCIYJKBWIUFUBH-UHFFFAOYSA-N 0 0 241.128 3.553 10 0 BHAERN Oc1cc(Cl)ccc1OC1CCCCC1 ZINC000095724394 183257978 /nfs/dbraw/zinc/25/79/78/183257978.db2.gz JEICUPJGZVBZCV-UHFFFAOYSA-N 0 0 226.703 3.757 10 0 BHAERN CC(C)(C)c1ccnc(Cl)c1OC1CC1 ZINC000095724473 187800658 /nfs/dbraw/zinc/80/06/58/187800658.db2.gz QOWYXMVFHSIUTR-UHFFFAOYSA-N 0 0 225.719 3.574 10 0 BHAERN Oc1cccc(Cl)c1OC1CCCCC1 ZINC000095724482 183292491 /nfs/dbraw/zinc/29/24/91/183292491.db2.gz CHUUHAIANWXTQY-UHFFFAOYSA-N 0 0 226.703 3.757 10 0 BHAERN CSc1cc(O)cc(OC2CCCCC2)c1 ZINC000095724531 175573324 /nfs/dbraw/zinc/57/33/24/175573324.db2.gz KTGUCQOMJKHDHZ-UHFFFAOYSA-N 0 0 238.352 3.826 10 0 BHAERN Cc1ccc(C(C)(C)C)c(OC2CC2)c1 ZINC000095724655 178448774 /nfs/dbraw/zinc/44/87/74/178448774.db2.gz OFORDMUDUDQAKK-UHFFFAOYSA-N 0 0 204.313 3.834 10 0 BHAERN CC(C)(C)Oc1cc(F)cc(OC2CC2)c1 ZINC000095724694 187800712 /nfs/dbraw/zinc/80/07/12/187800712.db2.gz WQZQDQVRZAXVRR-UHFFFAOYSA-N 0 0 224.275 3.544 10 0 BHAERN Oc1cc(CC2CCCCC2)ccc1F ZINC000095724804 183256155 /nfs/dbraw/zinc/25/61/55/183256155.db2.gz FAFFTPDKRVKRDG-UHFFFAOYSA-N 0 0 208.276 3.654 10 0 BHAERN Cc1cc(OC2CC2)cc(C(F)(F)F)c1 ZINC000095724809 178208881 /nfs/dbraw/zinc/20/88/81/178208881.db2.gz DRHKAJVCVQTHDW-UHFFFAOYSA-N 0 0 216.202 3.555 10 0 BHAERN Oc1ccc(Cl)cc1OC1CCCCC1 ZINC000095724849 183273340 /nfs/dbraw/zinc/27/33/40/183273340.db2.gz RGSJNEAYKKZYKJ-UHFFFAOYSA-N 0 0 226.703 3.757 10 0 BHAERN Cc1cc(OC2CC2)ccc1OC(C)(C)C ZINC000095724852 178208433 /nfs/dbraw/zinc/20/84/33/178208433.db2.gz YCEGQAUPKPWSJR-UHFFFAOYSA-N 0 0 220.312 3.714 10 0 BHAERN Oc1ccc(OC2CCCCC2)cc1Cl ZINC000095724990 183277416 /nfs/dbraw/zinc/27/74/16/183277416.db2.gz IKQGBZJSODJVND-UHFFFAOYSA-N 0 0 226.703 3.757 10 0 BHAERN CC(C)Oc1cc(Cl)cc(OC2CC2)c1 ZINC000095725021 167285812 /nfs/dbraw/zinc/28/58/12/167285812.db2.gz RYWSYTCGKAFSEW-UHFFFAOYSA-N 0 0 226.703 3.668 10 0 BHAERN Cc1ccc(OC2CC2)cc1C(C)(C)C ZINC000095725126 178808573 /nfs/dbraw/zinc/80/85/73/178808573.db2.gz CHNLQAAIFKGMQD-UHFFFAOYSA-N 0 0 204.313 3.834 10 0 BHAERN Oc1ccc(Cl)c(OC2CCCCC2)c1 ZINC000095725181 183272255 /nfs/dbraw/zinc/27/22/55/183272255.db2.gz FGSUYXMFJPUULB-UHFFFAOYSA-N 0 0 226.703 3.757 10 0 BHAERN Cc1cc(OC2CC2)cc(C(C)(C)C)c1 ZINC000095725280 178208764 /nfs/dbraw/zinc/20/87/64/178208764.db2.gz SQLRKURPNUJIRZ-UHFFFAOYSA-N 0 0 204.313 3.834 10 0 BHAERN CC(C)(C)c1ccc(OC2CC2)c(F)c1 ZINC000095725299 187287494 /nfs/dbraw/zinc/28/74/94/187287494.db2.gz LVMONKRNLRVOHL-UHFFFAOYSA-N 0 0 208.276 3.664 10 0 BHAERN CC(C)(C)c1cccc(F)c1OC1CC1 ZINC000095725311 187455470 /nfs/dbraw/zinc/45/54/70/187455470.db2.gz BCRCVOSNHOWIIV-UHFFFAOYSA-N 0 0 208.276 3.664 10 0 BHAERN CCc1c(OC2CC2)cccc1C(C)C ZINC000095725401 171745440 /nfs/dbraw/zinc/74/54/40/171745440.db2.gz CIDXSHQULBKDGO-UHFFFAOYSA-N 0 0 204.313 3.914 10 0 BHAERN CC(C)(C)c1c(Cl)cncc1OC1CC1 ZINC000095725417 188146216 /nfs/dbraw/zinc/14/62/16/188146216.db2.gz HQIIOTDUYXEZKF-UHFFFAOYSA-N 0 0 225.719 3.574 10 0 BHAERN Cc1ccc(OC2CC2)cc1C(F)(F)F ZINC000095726564 178809239 /nfs/dbraw/zinc/80/92/39/178809239.db2.gz AGIUGLBOIYNCMO-UHFFFAOYSA-N 0 0 216.202 3.555 10 0 BHAERN Cc1cc(OC2CC2)ccc1C(C)(C)C ZINC000095726779 178208921 /nfs/dbraw/zinc/20/89/21/178208921.db2.gz TUOVFFPSWOHWLV-UHFFFAOYSA-N 0 0 204.313 3.834 10 0 BHAERN Cc1cccc(OC2CC2)c1C(C)(C)C ZINC000095727084 179162999 /nfs/dbraw/zinc/16/29/99/179162999.db2.gz IEYMNBSRYFCWFV-UHFFFAOYSA-N 0 0 204.313 3.834 10 0 BHAERN CC(C)(C)c1ccc(F)c(OC2CC2)c1 ZINC000095727112 188320234 /nfs/dbraw/zinc/32/02/34/188320234.db2.gz XOESSBDTDXKJCN-UHFFFAOYSA-N 0 0 208.276 3.664 10 0 BHAERN Cc1ccc(OC2CC2)cc1OC(C)(C)C ZINC000095727214 178808485 /nfs/dbraw/zinc/80/84/85/178808485.db2.gz STCNKDKKQBDOAM-UHFFFAOYSA-N 0 0 220.312 3.714 10 0 BHAERN CCc1cccc(SC)c1OC1CC1 ZINC000095727227 171866704 /nfs/dbraw/zinc/86/67/04/171866704.db2.gz YMLZKEIAIWSFMP-UHFFFAOYSA-N 0 0 208.326 3.512 10 0 BHAERN Oc1c(Cl)cccc1OC1CCCCC1 ZINC000095727387 187288309 /nfs/dbraw/zinc/28/83/09/187288309.db2.gz HGTVWHUNBPGYGN-UHFFFAOYSA-N 0 0 226.703 3.757 10 0 BHAERN CC(C)Oc1cccc(OC2CC2)c1Cl ZINC000095727642 167307304 /nfs/dbraw/zinc/30/73/04/167307304.db2.gz DBQANMVEYPPXTO-UHFFFAOYSA-N 0 0 226.703 3.668 10 0 BHAERN CC(C)C1=N[C@H](C(C)C)CC(OC2CC2)=C1 ZINC000095727858 187800618 /nfs/dbraw/zinc/80/06/18/187800618.db2.gz UUWTWVVZRNTCAJ-AWEZNQCLSA-N 0 0 221.344 3.575 10 0 BHAERN CC(C)(C)c1cc(Cl)c(OC2CC2)cn1 ZINC000095727890 188147231 /nfs/dbraw/zinc/14/72/31/188147231.db2.gz BDNLIRLFYUKOPB-UHFFFAOYSA-N 0 0 225.719 3.574 10 0 BHAERN COc1ccc(C(C)(C)C)c(OC2CC2)c1 ZINC000095728033 175066793 /nfs/dbraw/zinc/06/67/93/175066793.db2.gz YRXFVUSWAPYTPO-UHFFFAOYSA-N 0 0 220.312 3.534 10 0 BHAERN CNc1cc(OC2CC2)cc(C(C)(C)C)c1 ZINC000095728673 173474776 /nfs/dbraw/zinc/47/47/76/173474776.db2.gz ROOHNOKXZIFIAJ-UHFFFAOYSA-N 0 0 219.328 3.567 10 0 BHAERN CNc1cc(C(C)(C)C)ccc1OC1CC1 ZINC000095728676 173472521 /nfs/dbraw/zinc/47/25/21/173472521.db2.gz PMNKEPUUEXBTTN-UHFFFAOYSA-N 0 0 219.328 3.567 10 0 BHAERN COc1ccc(OC2CC2)cc1C(C)(C)C ZINC000095729484 175171036 /nfs/dbraw/zinc/17/10/36/175171036.db2.gz QUTZBPVTBHBTSS-UHFFFAOYSA-N 0 0 220.312 3.534 10 0 BHAERN COc1ccc(C(C)(C)C)cc1OC1CC1 ZINC000095729623 175066746 /nfs/dbraw/zinc/06/67/46/175066746.db2.gz MQODGGJXHGOYIB-UHFFFAOYSA-N 0 0 220.312 3.534 10 0 BHAERN COc1cc(OC2CC2)ccc1C(C)(C)C ZINC000095729659 175012125 /nfs/dbraw/zinc/01/21/25/175012125.db2.gz FSPBNIYFPLCBLO-UHFFFAOYSA-N 0 0 220.312 3.534 10 0 BHAERN COc1c(OC2CC2)cccc1C(C)(C)C ZINC000095730077 174935553 /nfs/dbraw/zinc/93/55/53/174935553.db2.gz KAMXJURAJNKLMH-UHFFFAOYSA-N 0 0 220.312 3.534 10 0 BHAERN COc1cccc(OC2CC2)c1C(C)(C)C ZINC000095730474 175282433 /nfs/dbraw/zinc/28/24/33/175282433.db2.gz KPXHVPBVINCLTN-UHFFFAOYSA-N 0 0 220.312 3.534 10 0 BHAERN CNc1ccc(OC2CC2)cc1C(C)(C)C ZINC000095730558 173480079 /nfs/dbraw/zinc/48/00/79/173480079.db2.gz HMKRAMFLYJVIHE-UHFFFAOYSA-N 0 0 219.328 3.567 10 0 BHAERN CNc1cccc(C(C)(C)C)c1OC1CC1 ZINC000095730624 173482179 /nfs/dbraw/zinc/48/21/79/173482179.db2.gz ORIMLMCNKSRYCC-UHFFFAOYSA-N 0 0 219.328 3.567 10 0 BHAERN COc1cccc(C(C)(C)C)c1OC1CC1 ZINC000095730633 175247297 /nfs/dbraw/zinc/24/72/97/175247297.db2.gz OIWLHFWNESPVAU-UHFFFAOYSA-N 0 0 220.312 3.534 10 0 BHAERN COc1cc(OC2CC2)cc(C(C)(C)C)c1 ZINC000095730685 175012185 /nfs/dbraw/zinc/01/21/85/175012185.db2.gz GPQWLMOARLDRPN-UHFFFAOYSA-N 0 0 220.312 3.534 10 0 BHAERN COc1ccc(OC2CC2)c(C(C)(C)C)c1 ZINC000095730799 175171381 /nfs/dbraw/zinc/17/13/81/175171381.db2.gz ORFFIHISILEFPE-UHFFFAOYSA-N 0 0 220.312 3.534 10 0 BHAERN CSc1cc(OC2CC2)ccc1C(F)(F)F ZINC000095732168 175573578 /nfs/dbraw/zinc/57/35/78/175573578.db2.gz XPPTYDKYSHACKX-UHFFFAOYSA-N 0 0 248.269 3.969 10 0 BHAERN CSc1ccc(C(F)(F)F)c(OC2CC2)c1 ZINC000095732303 188146165 /nfs/dbraw/zinc/14/61/65/188146165.db2.gz HMVNLQCOMHHQMI-UHFFFAOYSA-N 0 0 248.269 3.969 10 0 BHAERN CSc1ccc(OC(C)C)c(OC2CC2)c1 ZINC000095732332 188499570 /nfs/dbraw/zinc/49/95/70/188499570.db2.gz HJYIHMHJVRQYQQ-UHFFFAOYSA-N 0 0 238.352 3.737 10 0 BHAERN CSc1ccc(SC)c(OC2CC2)c1 ZINC000095732336 188146117 /nfs/dbraw/zinc/14/61/17/188146117.db2.gz UIHFNLFOWKFXHN-UHFFFAOYSA-N 0 0 226.366 3.672 10 0 BHAERN CSc1c(Cl)cccc1OC1CC1 ZINC000095732601 175571966 /nfs/dbraw/zinc/57/19/66/175571966.db2.gz MLPLWIJCFJJOOQ-UHFFFAOYSA-N 0 0 214.717 3.603 10 0 BHAERN CSc1cc(C(F)(F)F)ccc1OC1CC1 ZINC000095732649 175572461 /nfs/dbraw/zinc/57/24/61/175572461.db2.gz MFIFHXNIAMYLLC-UHFFFAOYSA-N 0 0 248.269 3.969 10 0 BHAERN CSc1cc(C(C)(C)C)ncc1OC1CC1 ZINC000095732693 175572813 /nfs/dbraw/zinc/57/28/13/175572813.db2.gz PHQHOLZDBJFGGE-UHFFFAOYSA-N 0 0 237.368 3.642 10 0 BHAERN CSc1cc(OC(C)C)ccc1OC1CC1 ZINC000095732713 175573575 /nfs/dbraw/zinc/57/35/75/175573575.db2.gz BJJMPLNYACMLHB-UHFFFAOYSA-N 0 0 238.352 3.737 10 0 BHAERN CSc1cc(Cl)ccc1OC1CC1 ZINC000095732789 175573556 /nfs/dbraw/zinc/57/35/56/175573556.db2.gz DBNJVBHJGYHRCY-UHFFFAOYSA-N 0 0 214.717 3.603 10 0 BHAERN CSc1ccc(C(F)(F)F)cc1OC1CC1 ZINC000095732825 188319796 /nfs/dbraw/zinc/31/97/96/188319796.db2.gz JHEMWCNCPAZDMA-UHFFFAOYSA-N 0 0 248.269 3.969 10 0 BHAERN CSc1ccc(OC2CC2)c(C(F)(F)F)c1 ZINC000095732896 188146247 /nfs/dbraw/zinc/14/62/47/188146247.db2.gz RBGNWPOSZHWHLS-UHFFFAOYSA-N 0 0 248.269 3.969 10 0 BHAERN CSc1ccc(OC2CC2)c(C(C)(C)C)n1 ZINC000095732941 188146483 /nfs/dbraw/zinc/14/64/83/188146483.db2.gz SVMLJCOBVCMGHP-UHFFFAOYSA-N 0 0 237.368 3.642 10 0 BHAERN CSc1ccc(OC2CC2)c(SC)c1 ZINC000095732964 187288089 /nfs/dbraw/zinc/28/80/89/187288089.db2.gz SQWLKZBBZNRWPA-UHFFFAOYSA-N 0 0 226.366 3.672 10 0 BHAERN CSc1ccc(OC2CC2)cc1C(F)(F)F ZINC000095732997 322971856 /nfs/dbraw/zinc/97/18/56/322971856.db2.gz CLOAIQWICQHTBN-UHFFFAOYSA-N 0 0 248.269 3.969 10 0 BHAERN CSc1ccc(OC2CC2)cc1SC ZINC000095733035 188320508 /nfs/dbraw/zinc/32/05/08/188320508.db2.gz NBQUHPKHFJYPEI-UHFFFAOYSA-N 0 0 226.366 3.672 10 0 BHAERN CSc1nc(C(C)(C)C)ccc1OC1CC1 ZINC000095733419 175587242 /nfs/dbraw/zinc/58/72/42/175587242.db2.gz YHVMVQOTKHYDNT-UHFFFAOYSA-N 0 0 237.368 3.642 10 0 BHAERN CSc1cc(C(C)(C)C)c(OC2CC2)cn1 ZINC000095733559 175572892 /nfs/dbraw/zinc/57/28/92/175572892.db2.gz OWQCLCZUZUZXCX-UHFFFAOYSA-N 0 0 237.368 3.642 10 0 BHAERN CSc1nccc(C(C)(C)C)c1OC1CC1 ZINC000095733677 187287563 /nfs/dbraw/zinc/28/75/63/187287563.db2.gz BABIHWUJKZWOFM-UHFFFAOYSA-N 0 0 237.368 3.642 10 0 BHAERN FC(F)(F)c1c(Cl)cccc1OC1CC1 ZINC000095733840 180891673 /nfs/dbraw/zinc/89/16/73/180891673.db2.gz FGQMLKBVGGPWDX-UHFFFAOYSA-N 0 0 236.620 3.900 10 0 BHAERN FC(F)(F)c1ccc(OC2CC2)c(Cl)c1 ZINC000095733908 180893876 /nfs/dbraw/zinc/89/38/76/180893876.db2.gz DTWSDEXEJQNGAO-UHFFFAOYSA-N 0 0 236.620 3.900 10 0 BHAERN FC(F)(F)c1cccc(OC2CC2)c1Cl ZINC000095733949 180894628 /nfs/dbraw/zinc/89/46/28/180894628.db2.gz COARGXFPGMFDQC-UHFFFAOYSA-N 0 0 236.620 3.900 10 0 BHAERN FC(F)(F)c1cccc(Cl)c1OC1CC1 ZINC000095733966 180894772 /nfs/dbraw/zinc/89/47/72/180894772.db2.gz BELVYKXEPNFLOD-UHFFFAOYSA-N 0 0 236.620 3.900 10 0 BHAERN CC(C)(C)c1ccc(F)cc1OC1CC1 ZINC000095734218 188146316 /nfs/dbraw/zinc/14/63/16/188146316.db2.gz FRFKHBYJPYWISO-UHFFFAOYSA-N 0 0 208.276 3.664 10 0 BHAERN Clc1cc(OC2CC2)ccc1Br ZINC000095741940 180576311 /nfs/dbraw/zinc/57/63/11/180576311.db2.gz CKMRKVVQZDUFQV-UHFFFAOYSA-N 0 0 247.519 3.644 10 0 BHAERN Clc1cc(Br)ccc1OC1CC1 ZINC000095742031 180575002 /nfs/dbraw/zinc/57/50/02/180575002.db2.gz VOSGLDZLIGHGOD-UHFFFAOYSA-N 0 0 247.519 3.644 10 0 BHAERN Clc1ccc(OC2CC2)cc1Br ZINC000095742131 180583389 /nfs/dbraw/zinc/58/33/89/180583389.db2.gz DCBFHVZMVQFFFT-UHFFFAOYSA-N 0 0 247.519 3.644 10 0 BHAERN Clc1ccc(Br)c(OC2CC2)c1 ZINC000095742147 322971824 /nfs/dbraw/zinc/97/18/24/322971824.db2.gz KJQGPZGQXUTSAR-UHFFFAOYSA-N 0 0 247.519 3.644 10 0 BHAERN Cc1cc2nc(Cl)cc(Cl)c2s1 ZINC000095756203 178301848 /nfs/dbraw/zinc/30/18/48/178301848.db2.gz YQBGOJOMXKSSMV-UHFFFAOYSA-N 0 0 218.108 3.912 10 0 BHAERN COc1cc(Cl)nc2ccc(Cl)cc21 ZINC000095756331 384393646 /nfs/dbraw/zinc/39/36/46/384393646.db2.gz BTRIRBCYWHOGRL-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN Clc1cc(Cl)c2cscc2n1 ZINC000095756374 180574492 /nfs/dbraw/zinc/57/44/92/180574492.db2.gz FQUFDTRWWODFNI-UHFFFAOYSA-N 0 0 204.081 3.603 10 0 BHAERN Fc1cc2nc(Cl)sc2cc1Cl ZINC000095761747 180956679 /nfs/dbraw/zinc/95/66/79/180956679.db2.gz LQCXTIPPRSHJII-UHFFFAOYSA-N 0 0 222.071 3.742 10 0 BHAERN FC1(F)C[C@@H]1Cc1ccc(Br)cc1 ZINC000095774524 180919095 /nfs/dbraw/zinc/91/90/95/180919095.db2.gz MQHGLZHFQLOJSS-QMMMGPOBSA-N 0 0 247.082 3.647 10 0 BHAERN FC1(F)C[C@H]1Cc1cccc(Br)c1 ZINC000095774526 180919872 /nfs/dbraw/zinc/91/98/72/180919872.db2.gz OAZZOFUJDQRBGQ-MRVPVSSYSA-N 0 0 247.082 3.647 10 0 BHAERN Brc1ccnc(Nc2ccccc2)c1 ZINC000095775858 166102998 /nfs/dbraw/zinc/10/29/98/166102998.db2.gz ZBONZYXQUKFTFM-UHFFFAOYSA-N 0 0 249.111 3.588 10 0 BHAERN Clc1nn2ccccc2c1-c1ccccc1 ZINC000095803133 384912982 /nfs/dbraw/zinc/91/29/82/384912982.db2.gz LWASNTXCDHTWBT-UHFFFAOYSA-N 0 0 228.682 3.655 10 0 BHAERN Clc1nc(-c2ccccc2)nc2c1CSC2 ZINC000095803698 384554016 /nfs/dbraw/zinc/55/40/16/384554016.db2.gz LZOIRRDENLRZOT-UHFFFAOYSA-N 0 0 248.738 3.544 10 0 BHAERN COc1cccc(C2SCCCS2)c1 ZINC000095810893 175249205 /nfs/dbraw/zinc/24/92/05/175249205.db2.gz QZBJJXMITFWMSS-UHFFFAOYSA-N 0 0 226.366 3.564 10 0 BHAERN CC(C)(C)c1ccc2c(c1)CCCCN2 ZINC000095829171 384400026 /nfs/dbraw/zinc/40/00/26/384400026.db2.gz VPLUIMWSWPAKPJ-UHFFFAOYSA-N 0 0 203.329 3.732 10 0 BHAERN FC(F)(F)Oc1cccc2nccc(Cl)c21 ZINC000095830144 384399791 /nfs/dbraw/zinc/39/97/91/384399791.db2.gz LHTVBFMLLJOIPK-UHFFFAOYSA-N 0 0 247.603 3.787 10 0 BHAERN FC(F)(F)c1ccc2cccc(Cl)c2n1 ZINC000095830346 384399522 /nfs/dbraw/zinc/39/95/22/384399522.db2.gz MPVJVSMLSRFKBE-UHFFFAOYSA-N 0 0 231.604 3.907 10 0 BHAERN Cc1cc(F)c(NC(=O)OC(C)(C)C)c(F)c1 ZINC000095830367 178075764 /nfs/dbraw/zinc/07/57/64/178075764.db2.gz WWWKECTXCLNHSF-UHFFFAOYSA-N 0 0 243.253 3.620 10 0 BHAERN Clc1c2sccc2ncc1Br ZINC000095830908 384402566 /nfs/dbraw/zinc/40/25/66/384402566.db2.gz YDZTYKULGQNWFY-UHFFFAOYSA-N 0 0 248.532 3.712 10 0 BHAERN COc1ccc(-c2cc3c(cccc3O)o2)cc1 ZINC000095831275 175032266 /nfs/dbraw/zinc/03/22/66/175032266.db2.gz WPEBROZOBGCFFK-UHFFFAOYSA-N 0 0 240.258 3.814 10 0 BHAERN Cc1cccc(-c2cc3ccccc3[nH]2)n1 ZINC000095831280 178993689 /nfs/dbraw/zinc/99/36/89/178993689.db2.gz FGLCDLRJMLOJFW-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN COc1ccc(C)c2nc(Cl)cc(Cl)c12 ZINC000095831292 175071263 /nfs/dbraw/zinc/07/12/63/175071263.db2.gz YQAMZHYNNYZGTL-UHFFFAOYSA-N 0 0 242.105 3.859 10 0 BHAERN COc1ccc2cc(C(F)(F)F)ccc2c1 ZINC000095831340 175223841 /nfs/dbraw/zinc/22/38/41/175223841.db2.gz KVJCGRHDDQHZIH-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN FC(F)(F)Cc1cc(-c2ccccc2)ccn1 ZINC000095835496 180886128 /nfs/dbraw/zinc/88/61/28/180886128.db2.gz NKCZVVUVKGJHAL-UHFFFAOYSA-N 0 0 237.224 3.853 10 0 BHAERN Fc1cccc(-c2nc3ccc(Cl)nc3o2)c1 ZINC000095835590 384915721 /nfs/dbraw/zinc/91/57/21/384915721.db2.gz DEJOUWAWAYCTLI-UHFFFAOYSA-N 0 0 248.644 3.682 10 0 BHAERN Fc1ccc(-c2nc3ccc(Cl)nc3o2)cc1 ZINC000095835594 180958813 /nfs/dbraw/zinc/95/88/13/180958813.db2.gz QVFAZUBMUANZME-UHFFFAOYSA-N 0 0 248.644 3.682 10 0 BHAERN FC(F)(F)c1cc2ncccc2cc1Cl ZINC000095835721 180892093 /nfs/dbraw/zinc/89/20/93/180892093.db2.gz HHHNELTWYXLTRV-UHFFFAOYSA-N 0 0 231.604 3.907 10 0 BHAERN FC(F)(F)c1cc2cccnc2cc1Cl ZINC000095835791 180892369 /nfs/dbraw/zinc/89/23/69/180892369.db2.gz CPWWELSIRJLTDH-UHFFFAOYSA-N 0 0 231.604 3.907 10 0 BHAERN COC(=O)c1sc2ccc(Cl)cc2c1C ZINC000095836048 173923217 /nfs/dbraw/zinc/92/32/17/173923217.db2.gz YOUOXMKMFLLDNN-UHFFFAOYSA-N 0 0 240.711 3.650 10 0 BHAERN Cc1cc(C(C)(C)C)cc2c1NCCC2 ZINC000095883683 188321016 /nfs/dbraw/zinc/32/10/16/188321016.db2.gz AYFWRZLIXGFCCF-UHFFFAOYSA-N 0 0 203.329 3.651 10 0 BHAERN CC(C)(C)OC(=O)Nc1ccsc1Cl ZINC000095884077 166670832 /nfs/dbraw/zinc/67/08/32/166670832.db2.gz JFQYVXVFXLHMNC-UHFFFAOYSA-N 0 0 233.720 3.749 10 0 BHAERN CC[C@@H](O)/C=C/[C@@H]1C(C)=CCCC1(C)C ZINC000095884186 344357744 /nfs/dbraw/zinc/35/77/44/344357744.db2.gz WALHLZRJZMVZCZ-RYYBZQDPSA-N 0 0 208.345 3.696 10 0 BHAERN O=c1cc(C2CCCCC2)[nH]c2ccccc12 ZINC000095912920 384408020 /nfs/dbraw/zinc/40/80/20/384408020.db2.gz YXHVKMDHNXFOQN-UHFFFAOYSA-N 0 0 227.307 3.576 10 0 BHAERN Cc1cscc1-c1cc(=O)c2ccccc2[nH]1 ZINC000095912932 384406788 /nfs/dbraw/zinc/40/67/88/384406788.db2.gz MTJHGCNVUJABKR-UHFFFAOYSA-N 0 0 241.315 3.565 10 0 BHAERN CC1(COc2ccc(C=O)cc2)CCCCC1 ZINC000095917650 168050853 /nfs/dbraw/zinc/05/08/53/168050853.db2.gz MWIMNSUJFQPEFZ-UHFFFAOYSA-N 0 0 232.323 3.848 10 0 BHAERN Cc1cnc2[nH]cc(-c3ccccc3)c2c1 ZINC000095919941 346077370 /nfs/dbraw/zinc/07/73/70/346077370.db2.gz JDWVDIQEWLJFFC-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN Cc1ccc2c(-c3ccccc3)c[nH]c2n1 ZINC000095919942 346077591 /nfs/dbraw/zinc/07/75/91/346077591.db2.gz HYPKMMFBKUTINA-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN Cc1ccnc2[nH]cc(-c3ccccc3)c21 ZINC000095919945 346077607 /nfs/dbraw/zinc/07/76/07/346077607.db2.gz BMCVJWMXYVDGEY-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN CSc1ccnc(-c2cc(SC)ccn2)c1 ZINC000095921472 384407486 /nfs/dbraw/zinc/40/74/86/384407486.db2.gz HIXBLLPECIUVCR-UHFFFAOYSA-N 0 0 248.376 3.587 10 0 BHAERN FCCc1ccc(-c2ccccc2)cc1 ZINC000095922982 384410817 /nfs/dbraw/zinc/41/08/17/384410817.db2.gz MZAGNYKRYHQRTH-UHFFFAOYSA-N 0 0 200.256 3.866 10 0 BHAERN Cc1cc2c(nc(Cl)cc2Cl)s1 ZINC000095930470 178277965 /nfs/dbraw/zinc/27/79/65/178277965.db2.gz VAZPQNCVJQNJNY-UHFFFAOYSA-N 0 0 218.108 3.912 10 0 BHAERN Cc1ccc(N2CCC[C@@H]2C(F)(F)F)cc1 ZINC000095930862 178714435 /nfs/dbraw/zinc/71/44/35/178714435.db2.gz ZEOXSPWBGRUKQZ-LLVKDONJSA-N 0 0 229.245 3.526 10 0 BHAERN COc1cccc2[nH]c(C(F)(F)F)c(C)c21 ZINC000095930903 175297674 /nfs/dbraw/zinc/29/76/74/175297674.db2.gz VUMCZQLQMTVLEA-UHFFFAOYSA-N 0 0 229.201 3.504 10 0 BHAERN Cc1ccc(-c2cccc(F)c2F)cc1 ZINC000095931414 178326337 /nfs/dbraw/zinc/32/63/37/178326337.db2.gz JKKQXZVLZKWDLB-UHFFFAOYSA-N 0 0 204.219 3.940 10 0 BHAERN CC(C)(C)c1ccc(Br)c(C=O)c1 ZINC000095931686 187456105 /nfs/dbraw/zinc/45/61/05/187456105.db2.gz DWEWHEDCZHKXHK-UHFFFAOYSA-N 0 0 241.128 3.559 10 0 BHAERN CC[C@@H]1CC/C(=C2/C=Nc3ccccc32)N1C ZINC000095932255 384410979 /nfs/dbraw/zinc/41/09/79/384410979.db2.gz OCWYVGOJQRRICJ-QORHXFOUSA-N 0 0 226.323 3.618 10 0 BHAERN CC[C@H]1CC/C(=C2/C=Nc3ccccc32)N1C ZINC000095932256 187288882 /nfs/dbraw/zinc/28/88/82/187288882.db2.gz OCWYVGOJQRRICJ-VJSMGTLGSA-N 0 0 226.323 3.618 10 0 BHAERN CC(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000095932369 166433729 /nfs/dbraw/zinc/43/37/29/166433729.db2.gz AUSAFZNIOAOSTQ-UHFFFAOYSA-N 0 0 223.486 3.849 10 0 BHAERN COc1ccccc1/C=C/c1ccncc1C ZINC000095932483 175314984 /nfs/dbraw/zinc/31/49/84/175314984.db2.gz UFRRPMRIBKPYES-BQYQJAHWSA-N 0 0 225.291 3.569 10 0 BHAERN CCC1(O)CCC(C2CCCCC2)CC1 ZINC000095932744 384409956 /nfs/dbraw/zinc/40/99/56/384409956.db2.gz CFHTYVXMDXPWJF-UHFFFAOYSA-N 0 0 210.361 3.898 10 0 BHAERN c1cc2c([nH]1)c1ccccc1c1ncsc21 ZINC000095932756 384410430 /nfs/dbraw/zinc/41/04/30/384410430.db2.gz XIUYRMMTSHJJFD-UHFFFAOYSA-N 0 0 224.288 3.708 10 0 BHAERN C1=CC2=CCc3c4scnc4ccc3C2=C1 ZINC000095932765 187455991 /nfs/dbraw/zinc/45/59/91/187455991.db2.gz JEQDBTAOXDRCDR-UHFFFAOYSA-N 0 0 223.300 3.732 10 0 BHAERN c1cnc2c(c1)C=CC=CC=CC=CC=C2 ZINC000095933074 187455860 /nfs/dbraw/zinc/45/58/60/187455860.db2.gz RFVCKUHJWBNJHS-UHFFFAOYSA-N 0 0 207.276 3.790 10 0 BHAERN C=CC(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3 ZINC000095933547 188500499 /nfs/dbraw/zinc/50/04/99/188500499.db2.gz VULULCJGEQPEOV-UHFFFAOYSA-N 0 0 248.366 3.567 10 0 BHAERN CCc1ccccc1C(=O)C1CCCC1 ZINC000095933931 384413452 /nfs/dbraw/zinc/41/34/52/384413452.db2.gz WITXUMKVXQOKOG-UHFFFAOYSA-N 0 0 202.297 3.622 10 0 BHAERN CCCCN(C=O)C1(c2ccccc2)CCCC1 ZINC000095934261 384412156 /nfs/dbraw/zinc/41/21/56/384412156.db2.gz WTNVEXZUCFCJDO-UHFFFAOYSA-N 0 0 245.366 3.714 10 0 BHAERN C=Cc1ccc(OC(=O)[O-])c(C(C)(C)C)c1 ZINC000095934288 384413125 /nfs/dbraw/zinc/41/31/25/384413125.db2.gz PUDCRNWNYZEDPE-UHFFFAOYSA-N 0 0 220.268 3.684 10 0 BHAERN C[C@@H](Cc1ccc(Cl)cc1Cl)OC(=O)[O-] ZINC000095934328 384413196 /nfs/dbraw/zinc/41/31/96/384413196.db2.gz LFWCXICWGUPZFR-LURJTMIESA-N 0 0 249.093 3.619 10 0 BHAERN C[C@H](Cc1ccc(Cl)cc1Cl)OC(=O)[O-] ZINC000095934329 384413342 /nfs/dbraw/zinc/41/33/42/384413342.db2.gz LFWCXICWGUPZFR-ZCFIWIBFSA-N 0 0 249.093 3.619 10 0 BHAERN Fc1ccc(-c2cc3cccccc-3n2)cc1 ZINC000095934453 384412058 /nfs/dbraw/zinc/41/20/58/384412058.db2.gz CHLUYXOLJWZITH-UHFFFAOYSA-N 0 0 223.250 3.993 10 0 BHAERN CC(C)c1cccc(C(=O)Cc2ccncc2)c1 ZINC000095934655 187974698 /nfs/dbraw/zinc/97/46/98/187974698.db2.gz KAQWJAPGOYPQMR-UHFFFAOYSA-N 0 0 239.318 3.630 10 0 BHAERN O=C(CC1=CCCC=C1)[C@H]1C=CCCC1 ZINC000095934956 181883802 /nfs/dbraw/zinc/88/38/02/181883802.db2.gz VLWJJTWZDBVOTC-ZDUSSCGKSA-N 0 0 202.297 3.578 10 0 BHAERN O=C(CC1=CCCC=C1)[C@@H]1C=CCCC1 ZINC000095934957 181884193 /nfs/dbraw/zinc/88/41/93/181884193.db2.gz VLWJJTWZDBVOTC-CYBMUJFWSA-N 0 0 202.297 3.578 10 0 BHAERN CC[C@@H]([C@@H](O)OC1CCCCC1)C(C)(C)C ZINC000095935234 344358113 /nfs/dbraw/zinc/35/81/13/344358113.db2.gz HRZAPRPOXOJRII-STQMWFEESA-N 0 0 228.376 3.726 10 0 BHAERN CC[C@H]([C@@H](O)OC1CCCCC1)C(C)(C)C ZINC000095935235 384414390 /nfs/dbraw/zinc/41/43/90/384414390.db2.gz HRZAPRPOXOJRII-OLZOCXBDSA-N 0 0 228.376 3.726 10 0 BHAERN CC[C@@H]([C@H](O)OC1CCCCC1)C(C)(C)C ZINC000095935236 344358106 /nfs/dbraw/zinc/35/81/06/344358106.db2.gz HRZAPRPOXOJRII-QWHCGFSZSA-N 0 0 228.376 3.726 10 0 BHAERN CC[C@H]([C@H](O)OC1CCCCC1)C(C)(C)C ZINC000095935237 384415155 /nfs/dbraw/zinc/41/51/55/384415155.db2.gz HRZAPRPOXOJRII-CHWSQXEVSA-N 0 0 228.376 3.726 10 0 BHAERN CCc1csc(-c2cccc(C=O)c2)c1 ZINC000095935258 171929234 /nfs/dbraw/zinc/92/92/34/171929234.db2.gz SYHKWHRJIUTGMC-UHFFFAOYSA-N 0 0 216.305 3.790 10 0 BHAERN CCc1csc(-c2cccc(CCO)c2)c1 ZINC000095935260 171929166 /nfs/dbraw/zinc/92/91/66/171929166.db2.gz KHCFQXFXZRYCGK-UHFFFAOYSA-N 0 0 232.348 3.512 10 0 BHAERN Clc1cccc2nccc(Br)c12 ZINC000095935546 180594468 /nfs/dbraw/zinc/59/44/68/180594468.db2.gz LAXKIDIMBHOQHG-UHFFFAOYSA-N 0 0 242.503 3.651 10 0 BHAERN Fc1ccc2[nH]cc(/C=C\c3ccncc3)c2c1 ZINC000095935703 180984632 /nfs/dbraw/zinc/98/46/32/180984632.db2.gz RXOULJUHAPQWKF-UPHRSURJSA-N 0 0 238.265 3.872 10 0 BHAERN c1ccc(-c2ccc(-c3cccnc3)nc2)cc1 ZINC000095935735 183379879 /nfs/dbraw/zinc/37/98/79/183379879.db2.gz YDLRCXFTSQZNGT-UHFFFAOYSA-N 0 0 232.286 3.811 10 0 BHAERN c1ccc(-c2ccc(-c3ccncc3)nc2)cc1 ZINC000095935736 183379850 /nfs/dbraw/zinc/37/98/50/183379850.db2.gz YUIOVZCVPYFEFX-UHFFFAOYSA-N 0 0 232.286 3.811 10 0 BHAERN Cc1cc2c(ccc(OC(C)(C)C)c2F)[nH]1 ZINC000095935737 178278006 /nfs/dbraw/zinc/27/80/06/178278006.db2.gz HEGJNKKOVRFXDJ-UHFFFAOYSA-N 0 0 221.275 3.793 10 0 BHAERN FC(F)(F)c1nc2ccc(Cl)cc2s1 ZINC000095935952 187288653 /nfs/dbraw/zinc/28/86/53/187288653.db2.gz IBWORONSSDCZSK-UHFFFAOYSA-N 0 0 237.633 3.969 10 0 BHAERN Cc1ccc2c(c1)[C@H](c1ccccc1)CCO2 ZINC000095935991 178957132 /nfs/dbraw/zinc/95/71/32/178957132.db2.gz XCGALJBBORODQH-AWEZNQCLSA-N 0 0 224.303 3.909 10 0 BHAERN Cc1ccc2c(c1)[C@@H](c1ccccc1)CCO2 ZINC000095935992 384414398 /nfs/dbraw/zinc/41/43/98/384414398.db2.gz XCGALJBBORODQH-CQSZACIVSA-N 0 0 224.303 3.909 10 0 BHAERN CCc1sc(Nc2ccccc2)nc1C ZINC000095936126 172129763 /nfs/dbraw/zinc/12/97/63/172129763.db2.gz NQHHSVQXTATWDI-UHFFFAOYSA-N 0 0 218.325 3.758 10 0 BHAERN Cc1cc(Br)cc2ccsc21 ZINC000095936158 384415618 /nfs/dbraw/zinc/41/56/18/384415618.db2.gz NWIWVKHDCCPTOV-UHFFFAOYSA-N 0 0 227.126 3.972 10 0 BHAERN C/C=C\C(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000095936626 219840147 /nfs/dbraw/zinc/84/01/47/219840147.db2.gz GREJHILDEQGOIC-SZZPACECSA-N 0 0 245.366 3.638 10 0 BHAERN C/C=C\C(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000095936627 187801546 /nfs/dbraw/zinc/80/15/46/187801546.db2.gz GREJHILDEQGOIC-CFHLNLSMSA-N 0 0 245.366 3.638 10 0 BHAERN CC(C)(C)c1cc2c(nccc2Cl)[nH]1 ZINC000095936955 188147927 /nfs/dbraw/zinc/14/79/27/188147927.db2.gz LQJSVCUJIDLDRA-UHFFFAOYSA-N 0 0 208.692 3.514 10 0 BHAERN Cc1cnc2[nH]c(C(C)(C)C)cc2c1Cl ZINC000095936956 384414991 /nfs/dbraw/zinc/41/49/91/384414991.db2.gz ZJSUDKFFOVTXKR-UHFFFAOYSA-N 0 0 222.719 3.822 10 0 BHAERN COc1ccc2sccc2c1Br ZINC000095938124 175232642 /nfs/dbraw/zinc/23/26/42/175232642.db2.gz URDZUVSOZSEYHQ-UHFFFAOYSA-N 0 0 243.125 3.672 10 0 BHAERN FC(F)(F)/C=C\Sc1ccccc1 ZINC000095938359 384416506 /nfs/dbraw/zinc/41/65/06/384416506.db2.gz IDLBFALETWPANA-SREVYHEPSA-N 0 0 204.216 3.855 10 0 BHAERN Cc1cccc(/C=C\C(=O)Nc2ccccc2)c1 ZINC000095938866 188501091 /nfs/dbraw/zinc/50/10/91/188501091.db2.gz YUMGTOVQQQXXLP-KHPPLWFESA-N 0 0 237.302 3.647 10 0 BHAERN Cc1ccccc1/C=C\C(=O)Nc1ccccc1 ZINC000095938868 179244265 /nfs/dbraw/zinc/24/42/65/179244265.db2.gz CVBHAHLMYKDBRD-QXMHVHEDSA-N 0 0 237.302 3.647 10 0 BHAERN CC1(C)C[C@@H]2[C@H]1CC[C@]1(C)CCC[C@@]2(O)C1 ZINC000096023517 574417175 /nfs/dbraw/zinc/41/71/75/574417175.db2.gz FUQAYSQLAOJBBC-RJZRQDKASA-N 0 0 222.372 3.754 10 0 endogenous,in-man BHAERN Clc1ccccc1-c1ncc2ccccc2n1 ZINC000096028899 180594025 /nfs/dbraw/zinc/59/40/25/180594025.db2.gz KROXYHVGFUWTKP-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN Cc1ccc(-c2ncc3ccccc3n2)cc1 ZINC000096028909 178338740 /nfs/dbraw/zinc/33/87/40/178338740.db2.gz BYHOMJKKAFHBRI-UHFFFAOYSA-N 0 0 220.275 3.605 10 0 BHAERN Cc1ccccc1-c1ncc2ccccc2n1 ZINC000096028911 179240302 /nfs/dbraw/zinc/24/03/02/179240302.db2.gz CJHDYWJGXDJSNN-UHFFFAOYSA-N 0 0 220.275 3.605 10 0 BHAERN Clc1ccc2nc(-c3ccccc3)ncc2c1 ZINC000096028925 180588166 /nfs/dbraw/zinc/58/81/66/180588166.db2.gz JUTFZKNCJAWFSF-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN CC[C@H](Nc1ccnc(Cl)c1)C(C)C ZINC000096033188 384423901 /nfs/dbraw/zinc/42/39/01/384423901.db2.gz MJDLIYYZAILSRJ-JTQLQIEISA-N 0 0 212.724 3.582 10 0 BHAERN CC[C@@H](Nc1ccnc(Cl)c1)C(C)C ZINC000096033189 344365773 /nfs/dbraw/zinc/36/57/73/344365773.db2.gz MJDLIYYZAILSRJ-SNVBAGLBSA-N 0 0 212.724 3.582 10 0 BHAERN Cc1ccc(Br)c(NC2CCC2)c1 ZINC000096034136 188147824 /nfs/dbraw/zinc/14/78/24/188147824.db2.gz YJCBLHUXHGCTPA-UHFFFAOYSA-N 0 0 240.144 3.722 10 0 BHAERN CC[C@@H](C)Nc1ccc(F)c(Br)c1 ZINC000096034205 170760039 /nfs/dbraw/zinc/76/00/39/170760039.db2.gz XCHFESFAXSMQFY-SSDOTTSWSA-N 0 0 246.123 3.799 10 0 BHAERN CC[C@H](C)Nc1ccc(F)c(Br)c1 ZINC000096034206 171349411 /nfs/dbraw/zinc/34/94/11/171349411.db2.gz XCHFESFAXSMQFY-ZETCQYMHSA-N 0 0 246.123 3.799 10 0 BHAERN Fc1ccc(NC2CCC2)cc1Br ZINC000096034230 384427169 /nfs/dbraw/zinc/42/71/69/384427169.db2.gz OBDLAHXBNRXWBE-UHFFFAOYSA-N 0 0 244.107 3.553 10 0 BHAERN CCC(=O)c1ccc(Br)cc1Cl ZINC000096034493 168255305 /nfs/dbraw/zinc/25/53/05/168255305.db2.gz HTAIAXBXKUEXHB-UHFFFAOYSA-N 0 0 247.519 3.695 10 0 BHAERN FC(F)(F)Cc1cccc(CC(F)(F)F)c1 ZINC000096102481 180886590 /nfs/dbraw/zinc/88/65/90/180886590.db2.gz FUHPHXRJBURJLU-UHFFFAOYSA-N 0 0 242.162 3.896 10 0 BHAERN Fc1ccc(Cl)c(CC(F)(F)F)c1 ZINC000096102484 388808879 /nfs/dbraw/zinc/80/88/79/388808879.db2.gz SKKFTQOPEOMROP-UHFFFAOYSA-N 0 0 212.573 3.584 10 0 BHAERN Fc1ccc(CC(F)(F)F)c(Cl)c1 ZINC000096102487 388808251 /nfs/dbraw/zinc/80/82/51/388808251.db2.gz VBYCTYJZLFHCLR-UHFFFAOYSA-N 0 0 212.573 3.584 10 0 BHAERN FC1(F)c2ccccc2Cc2ccccc21 ZINC000096102530 384206842 /nfs/dbraw/zinc/20/68/42/384206842.db2.gz JJGXOBPMDZKBKT-UHFFFAOYSA-N 0 0 216.230 3.731 10 0 BHAERN Clc1cc(Cl)c(-c2ncon2)c(Cl)c1 ZINC000096102543 180574473 /nfs/dbraw/zinc/57/44/73/180574473.db2.gz QCGGSKPEPYCTGR-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN Fc1cc(Cl)cc(CC(F)(F)F)c1 ZINC000096102646 180948939 /nfs/dbraw/zinc/94/89/39/180948939.db2.gz WHZKJLLLIOHXOP-UHFFFAOYSA-N 0 0 212.573 3.584 10 0 BHAERN FC(F)(F)[C@@]1(c2ccccc2)CC1(F)F ZINC000096102744 388808055 /nfs/dbraw/zinc/80/80/55/388808055.db2.gz KXLVIZTVWYHCMC-MRVPVSSYSA-N 0 0 222.156 3.526 10 0 BHAERN FC(F)(F)[C@]1(c2ccccc2)CC1(F)F ZINC000096102745 388807928 /nfs/dbraw/zinc/80/79/28/388807928.db2.gz KXLVIZTVWYHCMC-QMMMGPOBSA-N 0 0 222.156 3.526 10 0 BHAERN CCO[C@@H](C)c1ccc(-c2ccc(F)cn2)cc1 ZINC000096150104 632727409 /nfs/dbraw/zinc/72/74/09/632727409.db2.gz YVGABWIXFLPCOA-NSHDSACASA-N 0 0 245.297 3.985 10 0 BHAERN CCO[C@H](C)c1ccc(-c2ccc(F)cn2)cc1 ZINC000096150105 632728665 /nfs/dbraw/zinc/72/86/65/632728665.db2.gz YVGABWIXFLPCOA-LLVKDONJSA-N 0 0 245.297 3.985 10 0 BHAERN CCc1nc2sc(C)c(C)c2c(NC(C)C)n1 ZINC000096195608 632729192 /nfs/dbraw/zinc/72/91/92/632729192.db2.gz YRJXZUSOVQKVSD-UHFFFAOYSA-N 0 0 249.383 3.691 10 0 BHAERN O=C1CCc2cc(Sc3ccccc3)ccc21 ZINC000096235232 384928470 /nfs/dbraw/zinc/92/84/70/384928470.db2.gz OVSDZQOMGKFABY-UHFFFAOYSA-N 0 0 240.327 3.967 10 0 BHAERN c1ccc(-c2ccc(Cc3ccncc3)cn2)cc1 ZINC000096282876 183379718 /nfs/dbraw/zinc/37/97/18/183379718.db2.gz HYJMFEOCSVZZMH-UHFFFAOYSA-N 0 0 246.313 3.734 10 0 BHAERN CC(C)(C)Oc1cccc(C(F)F)c1 ZINC000096308479 191916503 /nfs/dbraw/zinc/91/65/03/191916503.db2.gz SSABDRPZIHORNF-UHFFFAOYSA-N 0 0 200.228 3.802 10 0 BHAERN CC(C)(C)Oc1ccccc1C(F)F ZINC000096308480 187362386 /nfs/dbraw/zinc/36/23/86/187362386.db2.gz ICLWUEYGTFBFMF-UHFFFAOYSA-N 0 0 200.228 3.802 10 0 BHAERN Cc1cc(Cl)ncc1SC(F)(F)F ZINC000096308591 178073339 /nfs/dbraw/zinc/07/33/39/178073339.db2.gz PBEPYJBNWVYUSB-UHFFFAOYSA-N 0 0 227.638 3.655 10 0 BHAERN Fc1ccc(Cl)c2sc(Cl)nc21 ZINC000096321302 346112999 /nfs/dbraw/zinc/11/29/99/346112999.db2.gz RRZDDMYJOHXTQJ-UHFFFAOYSA-N 0 0 222.071 3.742 10 0 BHAERN Clc1cc2ccncc2cc1Br ZINC000096321466 387852279 /nfs/dbraw/zinc/85/22/79/387852279.db2.gz KZOSCZXUHGBLMP-UHFFFAOYSA-N 0 0 242.503 3.651 10 0 BHAERN C=COC(c1ccccc1)c1ccccc1 ZINC000096328297 346113793 /nfs/dbraw/zinc/11/37/93/346113793.db2.gz ONQFAVVHGHEUCH-UHFFFAOYSA-N 0 0 210.276 3.936 10 0 BHAERN S=C(Nc1ccc(Cl)cc1)c1ccccn1 ZINC000096328783 183311021 /nfs/dbraw/zinc/31/10/21/183311021.db2.gz VXTYEGVJUVFYFH-UHFFFAOYSA-N 0 0 248.738 3.523 10 0 BHAERN CCc1cccc(-c2ccc(O)c(CC)c2)c1O ZINC000096347142 171746792 /nfs/dbraw/zinc/74/67/92/171746792.db2.gz PKVPFWOHUILZSS-UHFFFAOYSA-N 0 0 242.318 3.890 10 0 BHAERN Nc1nc(-c2cc3ccccc3s2)cs1 ZINC000096378683 343155308 /nfs/dbraw/zinc/15/53/08/343155308.db2.gz NAJSWFJNDHBOLG-UHFFFAOYSA-N 0 0 232.333 3.607 10 0 BHAERN COC(=O)c1sc2c(cccc2Cl)c1C ZINC000096379148 384935449 /nfs/dbraw/zinc/93/54/49/384935449.db2.gz QHZQZFPRIMRBII-UHFFFAOYSA-N 0 0 240.711 3.650 10 0 BHAERN CC(C)Cc1cccc(NC(=O)C(C)(C)C)c1 ZINC000096697238 353109216 /nfs/dbraw/zinc/10/92/16/353109216.db2.gz PUFCBLZWFRZZRG-UHFFFAOYSA-N 0 0 233.355 3.870 10 0 BHAERN FC(F)=C(F)C(F)(F)c1ccccc1 ZINC000096794555 353684584 /nfs/dbraw/zinc/68/45/84/353684584.db2.gz DCFLXZJTFHSORH-UHFFFAOYSA-N 0 0 208.129 3.856 10 0 BHAERN CCC/C=C\c1cccc(-c2nnc(C)o2)c1 ZINC000096797974 644836964 /nfs/dbraw/zinc/83/69/64/644836964.db2.gz YTZNNAYZYJBGGM-ALCCZGGFSA-N 0 0 228.295 3.858 10 0 BHAERN CC=C(C)c1nc2cc(Cl)ccc2[nH]1 ZINC000096809695 644837094 /nfs/dbraw/zinc/83/70/94/644837094.db2.gz HGKYFMCOYSUDKO-CLTKARDFSA-N 0 0 206.676 3.640 10 0 BHAERN C(=C\c1ccc2ocnc2c1)\c1ccccc1 ZINC000096809776 644838301 /nfs/dbraw/zinc/83/83/01/644838301.db2.gz CBMJDMDBJWFUAF-SREVYHEPSA-N 0 0 221.259 3.998 10 0 BHAERN CCc1cnc(C)nc1/C=C\c1ccccc1 ZINC000096812253 644840965 /nfs/dbraw/zinc/84/09/65/644840965.db2.gz MDAUYWUXKFGNDT-KTKRTIGZSA-N 0 0 224.307 3.518 10 0 BHAERN CCC/C=C\c1ccc([C@@H](C)NC(C)=O)cc1 ZINC000096831399 644841050 /nfs/dbraw/zinc/84/10/50/644841050.db2.gz LGKHQWBDYWMAIK-ZHRWSRJISA-N 0 0 231.339 3.697 10 0 BHAERN CCC/C=C\c1ccc([C@H](C)NC(C)=O)cc1 ZINC000096831402 644840586 /nfs/dbraw/zinc/84/05/86/644840586.db2.gz LGKHQWBDYWMAIK-DGMVEKRQSA-N 0 0 231.339 3.697 10 0 BHAERN CCC/C=C\c1c(C)c2ccccc2[nH]c1=O ZINC000096833575 644840575 /nfs/dbraw/zinc/84/05/75/644840575.db2.gz FGZQFTUUMGPYMW-UITAMQMPSA-N 0 0 227.307 3.650 10 0 BHAERN S=c1[nH]ccc2c(Cl)ccc(Cl)c12 ZINC000096839057 343905329 /nfs/dbraw/zinc/90/53/29/343905329.db2.gz FLOYZSFVKSQCCX-UHFFFAOYSA-N 0 0 230.119 3.830 10 0 BHAERN S=c1[nH]ccc2ccc(Br)cc21 ZINC000096839058 343905512 /nfs/dbraw/zinc/90/55/12/343905512.db2.gz NJJXHXXTOJZLNM-UHFFFAOYSA-N 0 0 240.125 3.660 10 0 BHAERN OCc1cc2cc(/C=C\c3ccccc3)ccc2[nH]1 ZINC000096851137 631252483 /nfs/dbraw/zinc/25/24/83/631252483.db2.gz LTWVUYAQYJLMLD-SREVYHEPSA-N 0 0 249.313 3.831 10 0 BHAERN Cc1cccc2[nH]c(C=Cc3ccco3)nc21 ZINC000096851544 644843177 /nfs/dbraw/zinc/84/31/77/644843177.db2.gz FZNCFIJBLPWICH-FPLPWBNLSA-N 0 0 224.263 3.635 10 0 BHAERN S=c1[nH]ccc2cc(Br)ccc21 ZINC000096854344 343908451 /nfs/dbraw/zinc/90/84/51/343908451.db2.gz DYFPFRQOTBQWIC-UHFFFAOYSA-N 0 0 240.125 3.660 10 0 BHAERN CCC/C=C\c1ccc(Cl)c(C(=O)NC)c1 ZINC000096861690 631654203 /nfs/dbraw/zinc/65/42/03/631654203.db2.gz XFWRCTPYBUTVCT-WAYWQWQTSA-N 0 0 237.730 3.513 10 0 BHAERN CC(C)Sc1ccc(Cl)cc1C=O ZINC000096888283 167336947 /nfs/dbraw/zinc/33/69/47/167336947.db2.gz ZIAQPCHWBBJMGZ-UHFFFAOYSA-N 0 0 214.717 3.653 10 0 BHAERN c1sc(-c2ccccc2)nc1[C@H]1CCCC[NH2+]1 ZINC000096895188 183383235 /nfs/dbraw/zinc/38/32/35/183383235.db2.gz VGNMCGMJWMCWNB-GFCCVEGCSA-N 0 0 244.363 3.625 10 0 BHAERN CCCCSc1nc2ccc(O)cc2s1 ZINC000096907061 344050498 /nfs/dbraw/zinc/05/04/98/344050498.db2.gz BKMMLBUZOLDKTH-UHFFFAOYSA-N 0 0 239.365 3.894 10 0 BHAERN Nc1ccccc1Cc1csc(Cl)c1 ZINC000096912236 181754913 /nfs/dbraw/zinc/75/49/13/181754913.db2.gz CZTMROCJOWGSOQ-UHFFFAOYSA-N 0 0 223.728 3.575 10 0 BHAERN Brc1csc(-c2ccco2)c1 ZINC000096918667 166106737 /nfs/dbraw/zinc/10/67/37/166106737.db2.gz PAMCHWXAVCSQJA-UHFFFAOYSA-N 0 0 229.098 3.771 10 0 BHAERN CCC(CC)c1cc(N)c(Br)s1 ZINC000096963327 168410864 /nfs/dbraw/zinc/41/08/64/168410864.db2.gz FZFVUAWULHYZIQ-UHFFFAOYSA-N 0 0 248.189 3.996 10 0 BHAERN CC(C)(C)c1cc(Br)sc1C=O ZINC000096964238 187362348 /nfs/dbraw/zinc/36/23/48/187362348.db2.gz QBMCHCNKOJBSSR-UHFFFAOYSA-N 0 0 247.157 3.621 10 0 BHAERN Brc1ccoc1C1CCSCC1 ZINC000096964241 166102811 /nfs/dbraw/zinc/10/28/11/166102811.db2.gz WVDGODXLJZXWSZ-UHFFFAOYSA-N 0 0 247.157 3.653 10 0 BHAERN Brc1ccc(C2CCSCC2)o1 ZINC000096964242 166097714 /nfs/dbraw/zinc/09/77/14/166097714.db2.gz NTWAHPAEZORFBM-UHFFFAOYSA-N 0 0 247.157 3.653 10 0 BHAERN Brc1occc1[C@@H]1CCCSC1 ZINC000096964243 166108965 /nfs/dbraw/zinc/10/89/65/166108965.db2.gz WYAVNYJBMCSXAM-SSDOTTSWSA-N 0 0 247.157 3.653 10 0 BHAERN Brc1occc1[C@H]1CCCSC1 ZINC000096964244 166108312 /nfs/dbraw/zinc/10/83/12/166108312.db2.gz WYAVNYJBMCSXAM-ZETCQYMHSA-N 0 0 247.157 3.653 10 0 BHAERN Brc1cc([C@@H]2CCCSC2)co1 ZINC000096964245 166095970 /nfs/dbraw/zinc/09/59/70/166095970.db2.gz OINVWSNGDMWJRR-SSDOTTSWSA-N 0 0 247.157 3.653 10 0 BHAERN Brc1cc([C@H]2CCCSC2)co1 ZINC000096964246 166096155 /nfs/dbraw/zinc/09/61/55/166096155.db2.gz OINVWSNGDMWJRR-ZETCQYMHSA-N 0 0 247.157 3.653 10 0 BHAERN Brc1cc(C2CCSCC2)co1 ZINC000096964247 166096404 /nfs/dbraw/zinc/09/64/04/166096404.db2.gz FPRNDXRNCIFEKS-UHFFFAOYSA-N 0 0 247.157 3.653 10 0 BHAERN CC(C)(C)c1cc(C=O)sc1Br ZINC000096964257 188050559 /nfs/dbraw/zinc/05/05/59/188050559.db2.gz KHSTVNSKAMMVJB-UHFFFAOYSA-N 0 0 247.157 3.621 10 0 BHAERN O=Cc1cc2sc(Br)cc2s1 ZINC000096964267 384249289 /nfs/dbraw/zinc/24/92/89/384249289.db2.gz MRXWVFFGLOUKTH-UHFFFAOYSA-N 0 0 247.138 3.538 10 0 BHAERN Nc1c(Br)scc1C1CCCC1 ZINC000096983903 181666891 /nfs/dbraw/zinc/66/68/91/181666891.db2.gz JTDYUZQDRNJXGP-UHFFFAOYSA-N 0 0 246.173 3.750 10 0 BHAERN Nc1cc(C2CCCC2)sc1Br ZINC000096983913 384274631 /nfs/dbraw/zinc/27/46/31/384274631.db2.gz CQPPSBXKLPHADC-UHFFFAOYSA-N 0 0 246.173 3.750 10 0 BHAERN Brc1c2ccccc2n2ccccc12 ZINC000096983944 166096742 /nfs/dbraw/zinc/09/67/42/166096742.db2.gz RLRRYXLYGPGGGE-UHFFFAOYSA-N 0 0 246.107 3.855 10 0 BHAERN Brc1cccc2c1cc1ccccn12 ZINC000096983945 166101495 /nfs/dbraw/zinc/10/14/95/166101495.db2.gz LOQGROVUXIUARK-UHFFFAOYSA-N 0 0 246.107 3.855 10 0 BHAERN Brc1cccc2c1SCCCC2 ZINC000096986752 166101553 /nfs/dbraw/zinc/10/15/53/166101553.db2.gz VPWDHWNWRXIYQH-UHFFFAOYSA-N 0 0 243.169 3.878 10 0 BHAERN Brc1ccnn1C1CCCCCC1 ZINC000096986757 166103167 /nfs/dbraw/zinc/10/31/67/166103167.db2.gz CEVVUZCJYGYWKX-UHFFFAOYSA-N 0 0 243.148 3.541 10 0 BHAERN Brc1cnn(C2CCCCCC2)c1 ZINC000096986759 166106929 /nfs/dbraw/zinc/10/69/29/166106929.db2.gz NXOPNDQWMHWFOE-UHFFFAOYSA-N 0 0 243.148 3.541 10 0 BHAERN COc1cccc2scc(Br)c21 ZINC000096986781 175308103 /nfs/dbraw/zinc/30/81/03/175308103.db2.gz SKWHXTVGZQTEHM-UHFFFAOYSA-N 0 0 243.125 3.672 10 0 BHAERN O=Cc1oc(C2CCCC2)cc1Br ZINC000096986816 182877369 /nfs/dbraw/zinc/87/73/69/182877369.db2.gz DVPSUYVWBHNMMD-UHFFFAOYSA-N 0 0 243.100 3.512 10 0 BHAERN CCc1nsc2cccc(Br)c21 ZINC000096987582 172107917 /nfs/dbraw/zinc/10/79/17/172107917.db2.gz OHFCZTMAHIFOGP-UHFFFAOYSA-N 0 0 242.141 3.621 10 0 BHAERN CCc1nc2cccc(Br)c2s1 ZINC000096987583 172014530 /nfs/dbraw/zinc/01/45/30/172014530.db2.gz ACARDGDWICPTSG-UHFFFAOYSA-N 0 0 242.141 3.621 10 0 BHAERN CCc1nc2c(cccc2Br)s1 ZINC000096987584 172008498 /nfs/dbraw/zinc/00/84/98/172008498.db2.gz NEKHWGPIKCBRCR-UHFFFAOYSA-N 0 0 242.141 3.621 10 0 BHAERN COc1cccc2oc(Br)c(C)c21 ZINC000096988547 175308591 /nfs/dbraw/zinc/30/85/91/175308591.db2.gz QTFAQORMENYIGB-UHFFFAOYSA-N 0 0 241.084 3.512 10 0 BHAERN COc1cccc2c(C)c(Br)oc21 ZINC000096988548 175298078 /nfs/dbraw/zinc/29/80/78/175298078.db2.gz NPDWIWBXHISULF-UHFFFAOYSA-N 0 0 241.084 3.512 10 0 BHAERN Cc1ccc(-n2ccc(-c3ccccc3)n2)cc1 ZINC000097100774 178346493 /nfs/dbraw/zinc/34/64/93/178346493.db2.gz FDGNKRWRCMPTDS-UHFFFAOYSA-N 0 0 234.302 3.848 10 0 BHAERN Nc1cc(C(F)(F)F)c(Cl)cc1Cl ZINC000097442032 181679521 /nfs/dbraw/zinc/67/95/21/181679521.db2.gz YECYUHRFXUFJRV-UHFFFAOYSA-N 0 0 230.016 3.594 10 0 BHAERN CC(C)(C)Sc1cccc(F)c1C=O ZINC000097694409 384546864 /nfs/dbraw/zinc/54/68/64/384546864.db2.gz VHBALRRYPPCWHD-UHFFFAOYSA-N 0 0 212.289 3.529 10 0 BHAERN C/C=C/[C@](C)(O)C1(Sc2ccccc2)CC1 ZINC000097757663 384275493 /nfs/dbraw/zinc/27/54/93/384275493.db2.gz BXETYGKIAUMUHX-FOWFJEMPSA-N 0 0 234.364 3.638 10 0 BHAERN O[C@]1(C2(Sc3ccccc3)CC2)C=CCCC1 ZINC000097757668 183250440 /nfs/dbraw/zinc/25/04/40/183250440.db2.gz UMAMSFOOJFQCRV-CQSZACIVSA-N 0 0 246.375 3.783 10 0 BHAERN O[C@@]1(C2(Sc3ccccc3)CC2)C=CCCC1 ZINC000097757669 183216673 /nfs/dbraw/zinc/21/66/73/183216673.db2.gz UMAMSFOOJFQCRV-AWEZNQCLSA-N 0 0 246.375 3.783 10 0 BHAERN OC1(C2(Sc3ccccc3)CC2)CCCC1 ZINC000097757671 183015624 /nfs/dbraw/zinc/01/56/24/183015624.db2.gz POEDFEMRDTWYNN-UHFFFAOYSA-N 0 0 234.364 3.616 10 0 BHAERN O[C@H](C1CCCC1)C1(Sc2ccccc2)CC1 ZINC000097758552 183217687 /nfs/dbraw/zinc/21/76/87/183217687.db2.gz PFYINVIDDVFILV-CQSZACIVSA-N 0 0 248.391 3.862 10 0 BHAERN O[C@@H](C1CCCC1)C1(Sc2ccccc2)CC1 ZINC000097758553 183172277 /nfs/dbraw/zinc/17/22/77/183172277.db2.gz PFYINVIDDVFILV-AWEZNQCLSA-N 0 0 248.391 3.862 10 0 BHAERN Cc1cc([N+](=O)[O-])c(Cl)c(C(F)(F)F)c1 ZINC000097758912 342838363 /nfs/dbraw/zinc/83/83/63/342838363.db2.gz RNDJITRWECJMLS-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1ncncc1Cl ZINC000097847713 179340797 /nfs/dbraw/zinc/34/07/97/179340797.db2.gz XYPIYJRMQVFALN-JTQLQIEISA-N 0 0 247.729 3.612 10 0 BHAERN CC[C@H](Nc1ncncc1Cl)c1ccccc1 ZINC000097847760 135632371 /nfs/dbraw/zinc/63/23/71/135632371.db2.gz JZUWLERQPACGJD-LBPRGKRZSA-N 0 0 247.729 3.693 10 0 BHAERN CC[C@@H](Nc1ncncc1Cl)c1ccccc1 ZINC000097847761 135632591 /nfs/dbraw/zinc/63/25/91/135632591.db2.gz JZUWLERQPACGJD-GFCCVEGCSA-N 0 0 247.729 3.693 10 0 BHAERN O=C(Cc1ccccc1)c1cc(F)ccc1Cl ZINC000097885067 343228798 /nfs/dbraw/zinc/22/87/98/343228798.db2.gz IYSBJDQHUIDUFF-UHFFFAOYSA-N 0 0 248.684 3.905 10 0 BHAERN Cc1ccc(-c2cc3ccccc3c(=O)o2)cc1 ZINC000098081850 178321060 /nfs/dbraw/zinc/32/10/60/178321060.db2.gz FDFPICMLMJIYNM-UHFFFAOYSA-N 0 0 236.270 3.768 10 0 BHAERN c1csc(-c2nc3ccccc3o2)c1 ZINC000098085019 183514173 /nfs/dbraw/zinc/51/41/73/183514173.db2.gz LLJKRUUAVWXDEI-UHFFFAOYSA-N 0 0 201.250 3.556 10 0 BHAERN CCC1CCC(C(=O)Oc2ccccc2)CC1 ZINC000098089989 384589782 /nfs/dbraw/zinc/58/97/82/384589782.db2.gz LBJOYZZZPHPIGP-UHFFFAOYSA-N 0 0 232.323 3.808 10 0 BHAERN CC(C)(C)OC1CC(OCc2ccccc2)C1 ZINC000098095730 188148652 /nfs/dbraw/zinc/14/86/52/188148652.db2.gz ZBAQJFMLNWPWHW-UHFFFAOYSA-N 0 0 234.339 3.549 10 0 BHAERN Clc1ccc2c(Cl)ncnc2c1Cl ZINC000098096543 384592297 /nfs/dbraw/zinc/59/22/97/384592297.db2.gz HVUDQSHQMHCEQV-UHFFFAOYSA-N 0 0 233.485 3.590 10 0 BHAERN CCCCc1ccc(CCC(C)=O)cc1 ZINC000098123860 169020375 /nfs/dbraw/zinc/02/03/75/169020375.db2.gz DQAKHAOOTKZKMX-UHFFFAOYSA-N 0 0 204.313 3.551 10 0 BHAERN CCCCc1ccc(C[C@@H](C)C(C)=O)cc1 ZINC000098124457 169020543 /nfs/dbraw/zinc/02/05/43/169020543.db2.gz VRCIGKVWDMUAFL-GFCCVEGCSA-N 0 0 218.340 3.797 10 0 BHAERN CCCCc1ccc(C[C@H](C)C(C)=O)cc1 ZINC000098124458 169020252 /nfs/dbraw/zinc/02/02/52/169020252.db2.gz VRCIGKVWDMUAFL-LBPRGKRZSA-N 0 0 218.340 3.797 10 0 BHAERN CCC(=O)CCc1ccc(CC(C)C)cc1 ZINC000098124462 168204565 /nfs/dbraw/zinc/20/45/65/168204565.db2.gz NCACIXBBSNHMBR-UHFFFAOYSA-N 0 0 218.340 3.797 10 0 BHAERN CSc1ccc(CCCCC(C)=O)cc1 ZINC000098124788 187290626 /nfs/dbraw/zinc/29/06/26/187290626.db2.gz YQNKWGHMTSUFOH-UHFFFAOYSA-N 0 0 222.353 3.710 10 0 BHAERN CC(=O)CC/C=C/c1ccc(OC(C)C)cc1 ZINC000098125260 187290444 /nfs/dbraw/zinc/29/04/44/187290444.db2.gz PJMVPLZAIXZTKE-FNORWQNLSA-N 0 0 232.323 3.856 10 0 BHAERN COc1cc(C)c(C)cc1CCCCC(C)=O ZINC000098125903 174955183 /nfs/dbraw/zinc/95/51/83/174955183.db2.gz PUEKTORVOHXZKM-UHFFFAOYSA-N 0 0 234.339 3.614 10 0 BHAERN CCOc1cc(C)c(CCC(=O)CC)cc1C ZINC000098125905 170518817 /nfs/dbraw/zinc/51/88/17/170518817.db2.gz WWKAFFNEWWVQON-UHFFFAOYSA-N 0 0 234.339 3.614 10 0 BHAERN CCC(=O)CCc1ccc(OC(C)(C)C)cc1 ZINC000098125918 168205101 /nfs/dbraw/zinc/20/51/01/168205101.db2.gz MSXSJRMVJAXWJZ-UHFFFAOYSA-N 0 0 234.339 3.776 10 0 BHAERN CCC(=O)CCc1ccc(OC(C)C)c(C)c1 ZINC000098125924 168205143 /nfs/dbraw/zinc/20/51/43/168205143.db2.gz PYOKSMZSXYKYNM-UHFFFAOYSA-N 0 0 234.339 3.694 10 0 BHAERN CCC(=O)CCc1ccc(C(C)C)cc1OC ZINC000098125929 168204388 /nfs/dbraw/zinc/20/43/88/168204388.db2.gz KBDRFXJUJULHNE-UHFFFAOYSA-N 0 0 234.339 3.730 10 0 BHAERN COc1ccc(CCCCC(C)=O)c(C)c1C ZINC000098125931 187290324 /nfs/dbraw/zinc/29/03/24/187290324.db2.gz LLMQLHREKWCGHX-UHFFFAOYSA-N 0 0 234.339 3.614 10 0 BHAERN CCOc1ccc(/C=C/CCC(C)=O)cc1F ZINC000098126114 170535141 /nfs/dbraw/zinc/53/51/41/170535141.db2.gz GSVBSFFVPBZBAK-FNORWQNLSA-N 0 0 236.286 3.607 10 0 BHAERN CCC(=O)CCc1ccc(OC(C)C)c(F)c1 ZINC000098126414 168204781 /nfs/dbraw/zinc/20/47/81/168204781.db2.gz WAXZBQHVUMQFJV-UHFFFAOYSA-N 0 0 238.302 3.525 10 0 BHAERN COc1ccc(Cl)cc1CCCCC(C)=O ZINC000098126617 175120611 /nfs/dbraw/zinc/12/06/11/175120611.db2.gz BQMXEAZJZBJYCD-UHFFFAOYSA-N 0 0 240.730 3.650 10 0 BHAERN COc1ccc(CCCCC(C)=O)c(Cl)c1 ZINC000098126627 187290350 /nfs/dbraw/zinc/29/03/50/187290350.db2.gz MIQOJIQBEBGOIC-UHFFFAOYSA-N 0 0 240.730 3.650 10 0 BHAERN CCC(=O)CCc1ccc(OC)c(C(C)(C)C)c1 ZINC000098128415 168204930 /nfs/dbraw/zinc/20/49/30/168204930.db2.gz OIHSBIHXZAXISL-UHFFFAOYSA-N 0 0 248.366 3.904 10 0 BHAERN CCC(=O)CCc1cc(C(C)(C)C)ccc1OC ZINC000098128417 168205348 /nfs/dbraw/zinc/20/53/48/168205348.db2.gz MDRYIWHCCOYPLS-UHFFFAOYSA-N 0 0 248.366 3.904 10 0 BHAERN CC(C)(C)OC(=O)C(C)(C)Cc1ccccc1 ZINC000098177498 384599647 /nfs/dbraw/zinc/59/96/47/384599647.db2.gz MCYROJBNDZRHLS-UHFFFAOYSA-N 0 0 234.339 3.597 10 0 BHAERN Oc1cc2c(cc1-c1ccccc1)CCC2 ZINC000098177659 183261750 /nfs/dbraw/zinc/26/17/50/183261750.db2.gz WIHHOFDDXJNSAA-UHFFFAOYSA-N 0 0 210.276 3.548 10 0 BHAERN COc1cccc(Oc2ccccc2C)c1 ZINC000098177844 175285012 /nfs/dbraw/zinc/28/50/12/175285012.db2.gz GTFZCDVIRUQDED-UHFFFAOYSA-N 0 0 214.264 3.796 10 0 BHAERN CCCc1ccc2oc(-c3ccncc3)nc2c1 ZINC000098177985 384599492 /nfs/dbraw/zinc/59/94/92/384599492.db2.gz BFSHISSBOVTHEE-UHFFFAOYSA-N 0 0 238.290 3.842 10 0 BHAERN Nc1cc(-c2ccccc2)cc(-c2cccnc2)c1 ZINC000098178228 191061843 /nfs/dbraw/zinc/06/18/43/191061843.db2.gz FIFJVOQZYRUYDX-UHFFFAOYSA-N 0 0 246.313 3.998 10 0 BHAERN C=Cc1ccccc1-c1ccccc1C=O ZINC000098178254 187457547 /nfs/dbraw/zinc/45/75/47/187457547.db2.gz XBHHMTWEVYUGQA-UHFFFAOYSA-N 0 0 208.260 3.809 10 0 BHAERN COc1nc(Cl)c(C)cc1-c1ccccc1 ZINC000098178305 175392112 /nfs/dbraw/zinc/39/21/12/175392112.db2.gz TYKTXNGMUANNKR-UHFFFAOYSA-N 0 0 233.698 3.719 10 0 BHAERN Cc1c(Cl)c(Cl)ncc1C(F)(F)F ZINC000098178526 177574519 /nfs/dbraw/zinc/57/45/19/177574519.db2.gz KTDTWUMERLGAOH-UHFFFAOYSA-N 0 0 230.016 3.716 10 0 BHAERN FC(F)(F)c1cc(C(F)(F)F)c(Cl)cn1 ZINC000098178528 384598647 /nfs/dbraw/zinc/59/86/47/384598647.db2.gz SZOOHWYGFQZMJQ-UHFFFAOYSA-N 0 0 249.541 3.773 10 0 BHAERN FC(F)(F)c1ccc(Cl)c(C(F)(F)F)n1 ZINC000098178529 384599656 /nfs/dbraw/zinc/59/96/56/384599656.db2.gz NSDPRQRSANCYMS-UHFFFAOYSA-N 0 0 249.541 3.773 10 0 BHAERN Fc1cc(Cl)ccc1-c1nc2ncccc2o1 ZINC000098178854 384598709 /nfs/dbraw/zinc/59/87/09/384598709.db2.gz VMCNPMRJEDEVKS-UHFFFAOYSA-N 0 0 248.644 3.682 10 0 BHAERN C[C@@H]1CC(=O)c2c1c(Cl)ccc2Cl ZINC000098178968 176050765 /nfs/dbraw/zinc/05/07/65/176050765.db2.gz WBMDBBGROHZXAF-RXMQYKEDSA-N 0 0 215.079 3.683 10 0 BHAERN C[C@H]1CC(=O)c2c1c(Cl)ccc2Cl ZINC000098178969 177063263 /nfs/dbraw/zinc/06/32/63/177063263.db2.gz WBMDBBGROHZXAF-YFKPBYRVSA-N 0 0 215.079 3.683 10 0 BHAERN c1nc(-c2ccccc2)oc1Cc1ccccc1 ZINC000098178991 384599680 /nfs/dbraw/zinc/59/96/80/384599680.db2.gz CHDCGBXCNXYNOW-UHFFFAOYSA-N 0 0 235.286 3.932 10 0 BHAERN CCC(=O)c1ccc(COc2ccccc2)cc1 ZINC000098179287 168255756 /nfs/dbraw/zinc/25/57/56/168255756.db2.gz BDMWCXIJCULFPZ-UHFFFAOYSA-N 0 0 240.302 3.858 10 0 BHAERN Cc1ccccc1-c1ccccc1N(C)C ZINC000098179449 179236192 /nfs/dbraw/zinc/23/61/92/179236192.db2.gz ZSCWCLTZLQLJOH-UHFFFAOYSA-N 0 0 211.308 3.728 10 0 BHAERN Cc1cc(OCc2ccccc2)cnc1Cl ZINC000098179599 178211832 /nfs/dbraw/zinc/21/18/32/178211832.db2.gz JXCSDUWQGWXVBR-UHFFFAOYSA-N 0 0 233.698 3.622 10 0 BHAERN Cc1cc(Br)c(C)c(C)c1F ZINC000098179934 191061670 /nfs/dbraw/zinc/06/16/70/191061670.db2.gz WQMMVTJGCWVJLJ-UHFFFAOYSA-N 0 0 217.081 3.513 10 0 BHAERN C(=C/c1cc2ccccc2nn1)\c1ccccc1 ZINC000098180003 166226735 /nfs/dbraw/zinc/22/67/35/166226735.db2.gz AWBTVSLTEQNTFY-ZHACJKMWSA-N 0 0 232.286 3.800 10 0 BHAERN O=Cc1cc(-c2ccccc2)sc1Cl ZINC000098180091 384601863 /nfs/dbraw/zinc/60/18/63/384601863.db2.gz XGKUJJAWMFUBTK-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN O=Cc1cscc1Cc1ccc(Cl)cc1 ZINC000098180095 182875155 /nfs/dbraw/zinc/87/51/55/182875155.db2.gz HHZQGWSGBIVHSL-UHFFFAOYSA-N 0 0 236.723 3.805 10 0 BHAERN CC(=O)c1ccc(C)cc1Oc1ccccc1 ZINC000098180289 187457963 /nfs/dbraw/zinc/45/79/63/187457963.db2.gz DVSCGLZUVAVIGJ-UHFFFAOYSA-N 0 0 226.275 3.990 10 0 BHAERN Oc1ccc([C@H]2C[C@H]2c2ccccc2)cc1 ZINC000098180311 183278357 /nfs/dbraw/zinc/27/83/57/183278357.db2.gz OTQVRKTVOPCEQY-LSDHHAIUSA-N 0 0 210.276 3.663 10 0 BHAERN Oc1ccc([C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000098180312 183278646 /nfs/dbraw/zinc/27/86/46/183278646.db2.gz OTQVRKTVOPCEQY-HUUCEWRRSA-N 0 0 210.276 3.663 10 0 BHAERN Oc1ccc([C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000098180313 183278277 /nfs/dbraw/zinc/27/82/77/183278277.db2.gz OTQVRKTVOPCEQY-CABCVRRESA-N 0 0 210.276 3.663 10 0 BHAERN Oc1cccc([C@H]2C[C@H]2c2ccccc2)c1 ZINC000098180314 183294375 /nfs/dbraw/zinc/29/43/75/183294375.db2.gz JNOCWDUBVFEJBL-LSDHHAIUSA-N 0 0 210.276 3.663 10 0 BHAERN Oc1cccc([C@H]2C[C@@H]2c2ccccc2)c1 ZINC000098180315 183293859 /nfs/dbraw/zinc/29/38/59/183293859.db2.gz JNOCWDUBVFEJBL-HUUCEWRRSA-N 0 0 210.276 3.663 10 0 BHAERN Oc1cccc([C@@H]2C[C@H]2c2ccccc2)c1 ZINC000098180316 183294473 /nfs/dbraw/zinc/29/44/73/183294473.db2.gz JNOCWDUBVFEJBL-GJZGRUSLSA-N 0 0 210.276 3.663 10 0 BHAERN Oc1cccc([C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000098180317 183293934 /nfs/dbraw/zinc/29/39/34/183293934.db2.gz JNOCWDUBVFEJBL-CABCVRRESA-N 0 0 210.276 3.663 10 0 BHAERN Oc1ccccc1Cc1ccc(C2CC2)cc1 ZINC000098180320 183303438 /nfs/dbraw/zinc/30/34/38/183303438.db2.gz PAZGNNWQBJJOHK-UHFFFAOYSA-N 0 0 224.303 3.860 10 0 BHAERN Clc1cnnc2cc(Cl)c(Cl)cc12 ZINC000098180510 384601221 /nfs/dbraw/zinc/60/12/21/384601221.db2.gz BMILUDXMBATIBA-UHFFFAOYSA-N 0 0 233.485 3.590 10 0 BHAERN Clc1ccc2c(Cl)cnnc2c1Cl ZINC000098180511 384601734 /nfs/dbraw/zinc/60/17/34/384601734.db2.gz TYWPGJBIETYHDZ-UHFFFAOYSA-N 0 0 233.485 3.590 10 0 BHAERN O=c1cc(CC2CCCCC2)c2ccccc2[nH]1 ZINC000098180558 384602626 /nfs/dbraw/zinc/60/26/26/384602626.db2.gz XGUJHLLSNHDRGV-UHFFFAOYSA-N 0 0 241.334 3.651 10 0 BHAERN Cc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 ZINC000098180621 384600951 /nfs/dbraw/zinc/60/09/51/384600951.db2.gz NSAKNKQAKRDIIR-UHFFFAOYSA-N 0 0 226.254 3.677 10 0 BHAERN Cc1cc2cnc(Cl)nc2n1C1CCCC1 ZINC000098180793 187290741 /nfs/dbraw/zinc/29/07/41/187290741.db2.gz CKJCCNNUHXLCJL-UHFFFAOYSA-N 0 0 235.718 3.508 10 0 BHAERN Cc1cc2c(ncnc2Cl)n1C1CCCCC1 ZINC000098180833 178278514 /nfs/dbraw/zinc/27/85/14/178278514.db2.gz ONPJOIRDJAPBQW-UHFFFAOYSA-N 0 0 249.745 3.898 10 0 BHAERN Clc1nc(C2CCC2)nc2ccccc12 ZINC000098181233 384602741 /nfs/dbraw/zinc/60/27/41/384602741.db2.gz POVAKRZMXQTBMC-UHFFFAOYSA-N 0 0 218.687 3.551 10 0 BHAERN Clc1ncnc2cc(-c3ccccc3)ccc12 ZINC000098181234 180603586 /nfs/dbraw/zinc/60/35/86/180603586.db2.gz ZBGDLLYHQVSMOY-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN Cc1cc(Nc2ccccc2)c(N)cc1Cl ZINC000098181295 178193565 /nfs/dbraw/zinc/19/35/65/178193565.db2.gz SFZKLGASTAQEPB-UHFFFAOYSA-N 0 0 232.714 3.974 10 0 BHAERN Cc1cc(N)c(Nc2ccccc2)cc1Cl ZINC000098181307 178103787 /nfs/dbraw/zinc/10/37/87/178103787.db2.gz DMFJAIJYTPZVAJ-UHFFFAOYSA-N 0 0 232.714 3.974 10 0 BHAERN C(=C/c1ccccc1)\Cc1c[nH]c2cnccc12 ZINC000098181330 384602504 /nfs/dbraw/zinc/60/25/04/384602504.db2.gz AHLKWTGULMWUCW-QPJJXVBHSA-N 0 0 234.302 3.819 10 0 BHAERN Cc1nc2ccc(OC(F)(F)F)cc2s1 ZINC000098181515 180096636 /nfs/dbraw/zinc/09/66/36/180096636.db2.gz PQEOUPSBRXCIJX-UHFFFAOYSA-N 0 0 233.214 3.503 10 0 BHAERN COc1ccc2sc(Br)cc2c1 ZINC000098181535 175232139 /nfs/dbraw/zinc/23/21/39/175232139.db2.gz MRHYAPQJCMSGCE-UHFFFAOYSA-N 0 0 243.125 3.672 10 0 BHAERN Cc1cn(-c2ccccc2N)c2ccccc12 ZINC000098202257 346796387 /nfs/dbraw/zinc/79/63/87/346796387.db2.gz QJUUPKRWPDGHDZ-UHFFFAOYSA-N 0 0 222.291 3.521 10 0 BHAERN CC[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@@]21C ZINC000098203252 346797507 /nfs/dbraw/zinc/79/75/07/346797507.db2.gz BHSFAGUCNBKOPP-NRWUCQMLSA-N 0 0 208.345 3.818 10 0 BHAERN Cc1c(F)ccc(Cl)c1NC(=O)C(C)(C)C ZINC000098209744 384603607 /nfs/dbraw/zinc/60/36/07/384603607.db2.gz SBELRKLONRPUGE-UHFFFAOYSA-N 0 0 243.709 3.772 10 0 BHAERN CCCC/C=C/C(F)(F)C(F)(F)F ZINC000098210406 344544065 /nfs/dbraw/zinc/54/40/65/344544065.db2.gz KYGQVLWOZCCROB-AATRIKPKSA-N 0 0 202.166 3.930 10 0 BHAERN FC(F)(F)C(Oc1ccccc1)C(F)(F)F ZINC000098210650 384603557 /nfs/dbraw/zinc/60/35/57/384603557.db2.gz MPBIGVCLMHLVFL-UHFFFAOYSA-N 0 0 244.134 3.559 10 0 BHAERN CCO[C@H]1CC[C@H](c2ccccc2)CC1 ZINC000100047507 356174494 /nfs/dbraw/zinc/17/44/94/356174494.db2.gz KSXIJKKDOYBAKP-OKILXGFUSA-N 0 0 204.313 3.749 10 0 BHAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([C@H]1CCC[C@@H](O)C1)C2 ZINC000100049443 168003557 /nfs/dbraw/zinc/00/35/57/168003557.db2.gz IGEVVMFDMLDFFU-YTBGYOSVSA-N 0 0 236.399 4.000 10 0 BHAERN CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([C@H]1CCC[C@@H](O)C1)C2 ZINC000100049445 168003429 /nfs/dbraw/zinc/00/34/29/168003429.db2.gz IGEVVMFDMLDFFU-ADVQIIOHSA-N 0 0 236.399 4.000 10 0 BHAERN Fc1ccc2c(c1)CC/C2=C/c1ccncc1 ZINC000100056302 387350181 /nfs/dbraw/zinc/35/01/81/387350181.db2.gz KVRYTKBSTLSXKC-XFXZXTDPSA-N 0 0 225.266 3.708 10 0 in-vivo BHAERN Cc1ccc(Cl)c(C(=O)CCl)c1 ZINC000100196435 188149549 /nfs/dbraw/zinc/14/95/49/188149549.db2.gz XZEGRUBZPYTGQW-UITAMQMPSA-N 0 0 203.068 3.744 10 0 BHAERN CC[C@H](C)c1cccc2c1OC(=O)[C@H]2CC ZINC000100261960 384628642 /nfs/dbraw/zinc/62/86/42/384628642.db2.gz AINJZGLXKNHVCF-UWVGGRQHSA-N 0 0 218.296 3.613 10 0 BHAERN CC[C@@H](C)c1cccc2c1OC(=O)[C@H]2CC ZINC000100261966 344410805 /nfs/dbraw/zinc/41/08/05/344410805.db2.gz AINJZGLXKNHVCF-ZJUUUORDSA-N 0 0 218.296 3.613 10 0 BHAERN CC(C)[C@@H]1CC[C@@](C)(CC=S)S1 ZINC000100269272 191062645 /nfs/dbraw/zinc/06/26/45/191062645.db2.gz PIZZPGWXGGJZBV-QTPDZXDFSA-N 0 0 202.388 3.740 10 0 BHAERN CC(C)[C@H]1CC[C@@](C)(CC=S)S1 ZINC000100269275 191062562 /nfs/dbraw/zinc/06/25/62/191062562.db2.gz PIZZPGWXGGJZBV-FACRAVRUSA-N 0 0 202.388 3.740 10 0 BHAERN CC(C)[C@@H]1CC[C@](C)(CC=S)S1 ZINC000100269277 187290254 /nfs/dbraw/zinc/29/02/54/187290254.db2.gz PIZZPGWXGGJZBV-SMWNKPDJSA-N 0 0 202.388 3.740 10 0 BHAERN CC(C)[C@H]1CC[C@](C)(CC=S)S1 ZINC000100269279 191062713 /nfs/dbraw/zinc/06/27/13/191062713.db2.gz PIZZPGWXGGJZBV-ITMFEAPISA-N 0 0 202.388 3.740 10 0 BHAERN CCOC(=O)C[C@H]1CC[C@H](c2ccccc2)CC1 ZINC000100468726 170232174 /nfs/dbraw/zinc/23/21/74/170232174.db2.gz NQKKTEIOHKETAT-OTVXOJSOSA-N 0 0 246.350 3.914 10 0 BHAERN Cc1cccc2c(Cl)c(C=O)c(CC=O)nc12 ZINC000100515055 179210292 /nfs/dbraw/zinc/21/02/92/179210292.db2.gz UHKQNZYXSYFJHW-AATRIKPKSA-N 0 0 247.681 3.538 10 0 BHAERN O=C1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000100515511 183024730 /nfs/dbraw/zinc/02/47/30/183024730.db2.gz INLKLFJWEGTXFA-HNNXBMFYSA-N 0 0 224.259 3.719 10 0 BHAERN O=C1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000100515513 183024407 /nfs/dbraw/zinc/02/44/07/183024407.db2.gz INLKLFJWEGTXFA-OAHLLOKOSA-N 0 0 224.259 3.719 10 0 BHAERN Cc1cc(N)sc1-c1nc2ccccc2s1 ZINC000100664620 178110982 /nfs/dbraw/zinc/11/09/82/178110982.db2.gz ULKUJLUUHZEIGI-UHFFFAOYSA-N 0 0 246.360 3.915 10 0 BHAERN CC[C@@H]1c2ccc(-c3ccccc3)cc2OC1=O ZINC000100711310 171603815 /nfs/dbraw/zinc/60/38/15/171603815.db2.gz YWJCIGFTHQCRKY-CYBMUJFWSA-N 0 0 238.286 3.766 10 0 BHAERN O=C(c1n[nH]c2ccccc21)c1ccccc1 ZINC000100720250 182678155 /nfs/dbraw/zinc/67/81/55/182678155.db2.gz VNRJXFCYHKNPEA-ZDUSSCGKSA-N 0 0 222.247 3.708 10 0 BHAERN CC[C@@H](C)C(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000100776280 571821707 /nfs/dbraw/zinc/82/17/07/571821707.db2.gz CEVCMCWHMHJEQS-NWJSVONSSA-N 0 0 238.371 3.791 10 0 endogenous,in-man BHAERN CC[C@H](C)C(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000100776283 171256154 /nfs/dbraw/zinc/25/61/54/171256154.db2.gz CEVCMCWHMHJEQS-UUIJZJDISA-N 0 0 238.371 3.791 10 0 endogenous,in-man BHAERN CC[C@@H](C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000100776285 571821739 /nfs/dbraw/zinc/82/17/39/571821739.db2.gz CEVCMCWHMHJEQS-OXJKWZBOSA-N 0 0 238.371 3.791 10 0 endogenous,in-man BHAERN CC[C@H](C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000100776288 171256612 /nfs/dbraw/zinc/25/66/12/171256612.db2.gz CEVCMCWHMHJEQS-JUFZMCDQSA-N 0 0 238.371 3.791 10 0 endogenous,in-man BHAERN C/C1=C/CC[C@H](C)C(=O)C[C@@H](C(C)C)C(=O)C1 ZINC000100778048 571826561 /nfs/dbraw/zinc/82/65/61/571826561.db2.gz KDPFMRXIVDLQKX-ISGXEFFDSA-N 0 0 236.355 3.553 10 0 endogenous,in-man BHAERN C[C@@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)C=C12 ZINC000100779312 571830583 /nfs/dbraw/zinc/83/05/83/571830583.db2.gz SRHDLIDOZXPROB-TYNCELHUSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN CC1=C[C@]2(C=C[C@H](C)O2)[C@H](C(C)C)CC1 ZINC000100779600 168131603 /nfs/dbraw/zinc/13/16/03/168131603.db2.gz QQLMXACDDRGTPU-MELADBBJSA-N 0 0 206.329 3.712 10 0 endogenous,in-man BHAERN Nc1c(C(=O)c2ccccc2)ccc2ccccc12 ZINC000101249256 359803971 /nfs/dbraw/zinc/80/39/71/359803971.db2.gz NFIWFONNKNJAOX-UHFFFAOYSA-N 0 0 247.297 3.653 10 0 BHAERN CCCc1ncc(-c2ccccc2)s1 ZINC000101434714 363446329 /nfs/dbraw/zinc/44/63/29/363446329.db2.gz UKFNUMLHLDLGMX-UHFFFAOYSA-N 0 0 203.310 3.763 10 0 BHAERN CC(=O)c1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000101751753 356481405 /nfs/dbraw/zinc/48/14/05/356481405.db2.gz XKIWLMDMULZBTO-UHFFFAOYSA-N 0 0 220.312 3.842 10 0 BHAERN Cc1ccc([C@@H](C)NC(=O)C2CCCCCC2)o1 ZINC000101856063 356650388 /nfs/dbraw/zinc/65/03/88/356650388.db2.gz SVJXDIVRBWSEID-GFCCVEGCSA-N 0 0 249.354 3.736 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)C2CCCCCC2)o1 ZINC000101856069 356650236 /nfs/dbraw/zinc/65/02/36/356650236.db2.gz SVJXDIVRBWSEID-LBPRGKRZSA-N 0 0 249.354 3.736 10 0 BHAERN Fc1cccc(F)c1-c1nc2ccccc2o1 ZINC000102159043 368340597 /nfs/dbraw/zinc/34/05/97/368340597.db2.gz LWMQZXRWYWLCJM-UHFFFAOYSA-N 0 0 231.201 3.773 10 0 BHAERN CC(C)Oc1ccc(-c2ccc(C=O)o2)cc1 ZINC000102300716 582767799 /nfs/dbraw/zinc/76/77/99/582767799.db2.gz OVXQVSDUWUFSEG-UHFFFAOYSA-N 0 0 230.263 3.546 10 0 BHAERN CCC1CCC(NC(=O)C(C)(C)CC)CC1 ZINC000102603575 357552056 /nfs/dbraw/zinc/55/20/56/357552056.db2.gz YAHULKYPGSADJB-UHFFFAOYSA-N 0 0 225.376 3.508 10 0 BHAERN C/C(=C\CO)c1ccc(-c2ccccc2)cc1 ZINC000102996868 187291506 /nfs/dbraw/zinc/29/15/06/187291506.db2.gz KYMXDAWWKCMFNP-ACCUITESSA-N 0 0 224.303 3.749 10 0 BHAERN C[C@@H]1CCc2c(sc(N)c2-c2ccccn2)C1 ZINC000103067810 176239003 /nfs/dbraw/zinc/23/90/03/176239003.db2.gz ZHKIERRZCCIDRF-SECBINFHSA-N 0 0 244.363 3.517 10 0 BHAERN C[C@H]1CCc2c(sc(N)c2-c2ccccn2)C1 ZINC000103067812 177209498 /nfs/dbraw/zinc/20/94/98/177209498.db2.gz ZHKIERRZCCIDRF-VIFPVBQESA-N 0 0 244.363 3.517 10 0 BHAERN Cc1cc(N)sc1-c1nc2c(cccc2C)o1 ZINC000103115334 178111507 /nfs/dbraw/zinc/11/15/07/178111507.db2.gz WRPIGAJRXGVVKZ-UHFFFAOYSA-N 0 0 244.319 3.755 10 0 BHAERN O=C1C[C@@H](c2ccccc2F)Oc2ccccc21 ZINC000103175936 384752391 /nfs/dbraw/zinc/75/23/91/384752391.db2.gz BTEUTCCTSCKMNI-HNNXBMFYSA-N 0 0 242.249 3.532 10 0 BHAERN O=C1C[C@H](c2ccccc2F)Oc2ccccc21 ZINC000103175940 384751552 /nfs/dbraw/zinc/75/15/52/384751552.db2.gz BTEUTCCTSCKMNI-OAHLLOKOSA-N 0 0 242.249 3.532 10 0 BHAERN CCCOC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000103178970 169298171 /nfs/dbraw/zinc/29/81/71/169298171.db2.gz BUQJESJWQMDWFS-JXMROGBWSA-N 0 0 232.323 3.776 10 0 BHAERN CC(C)=CCC[C@H](C)CCn1ccnc1 ZINC000103194671 187291834 /nfs/dbraw/zinc/29/18/34/187291834.db2.gz KFJOCXYLQAGIBJ-ZDUSSCGKSA-N 0 0 206.333 3.656 10 0 BHAERN CC(C)c1csc(N)c1-c1ccccn1 ZINC000103282776 167652611 /nfs/dbraw/zinc/65/26/11/167652611.db2.gz AZEFJJYSGSELIH-UHFFFAOYSA-N 0 0 218.325 3.516 10 0 BHAERN COc1ccc2c(c1)[nH]c1ccc(C)cc12 ZINC000103286702 175217907 /nfs/dbraw/zinc/21/79/07/175217907.db2.gz LSJKTACHQLSTIE-UHFFFAOYSA-N 0 0 211.264 3.638 10 0 BHAERN Cc1cc(O)c2c(c1C)C[C@H](C(C)C)CC2 ZINC000103291591 178198510 /nfs/dbraw/zinc/19/85/10/178198510.db2.gz QSJUMAYYXBHHJD-GFCCVEGCSA-N 0 0 218.340 3.770 10 0 BHAERN CCn1c(N)c(-c2ccccc2C)nc1C(C)C ZINC000103501703 172134883 /nfs/dbraw/zinc/13/48/83/172134883.db2.gz WORSSJYSQQJWGG-UHFFFAOYSA-N 0 0 243.354 3.584 10 0 BHAERN CC(=O)[C@@]12C[C@H]3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000103525602 188082140 /nfs/dbraw/zinc/08/21/40/188082140.db2.gz MYLDWXYQFICXKK-YXSUXZIUSA-N 0 0 206.329 3.572 10 0 in-vitro BHAERN C[C@@]12C[C@H]3C[C@@H](C1)C[C@](Br)(C3)C2 ZINC000103540020 384778442 /nfs/dbraw/zinc/77/84/42/384778442.db2.gz MXAYGTASSPYUJB-BIBSGERRSA-N 0 0 229.161 3.740 10 0 in-vitro BHAERN CCCCC(=O)O[C@H]1CC/C=C/CCC1 ZINC000103823444 168630476 /nfs/dbraw/zinc/63/04/76/168630476.db2.gz WIJXCQOLWPIWPZ-ITKZLYELSA-N 0 0 210.317 3.609 10 0 BHAERN CCCCC(=O)O[C@@H]1CC/C=C/CCC1 ZINC000103823448 168630960 /nfs/dbraw/zinc/63/09/60/168630960.db2.gz WIJXCQOLWPIWPZ-ZYOFXKKJSA-N 0 0 210.317 3.609 10 0 BHAERN C=C(Nc1cc(O)cc(Cl)c1)C(C)=CC ZINC000103829427 187291123 /nfs/dbraw/zinc/29/11/23/187291123.db2.gz NUNRHBMSLREXIO-YWEYNIOJSA-N 0 0 223.703 3.937 10 0 BHAERN CC(C)[C@H]1CNc2c(cccc2C(F)(F)F)C1 ZINC000103915766 167495717 /nfs/dbraw/zinc/49/57/17/167495717.db2.gz ZXOKMBVQRNODQO-SNVBAGLBSA-N 0 0 243.272 3.946 10 0 BHAERN C[C@H]1CNc2ccc(-c3ccccc3)cc2C1 ZINC000103926137 177287078 /nfs/dbraw/zinc/28/70/78/177287078.db2.gz DIAUSXOIJVYWGB-GFCCVEGCSA-N 0 0 223.319 3.958 10 0 BHAERN CCc1nnc(Cl)n1-c1ccc(C(C)C)cc1 ZINC000103926155 172055574 /nfs/dbraw/zinc/05/55/74/172055574.db2.gz NPFMKXVVIJXAFL-UHFFFAOYSA-N 0 0 249.745 3.607 10 0 BHAERN CCC(C)(C)n1c(Cl)nnc1-c1ccccc1 ZINC000103926171 168307230 /nfs/dbraw/zinc/30/72/30/168307230.db2.gz LGAHWJSJTIQMQN-UHFFFAOYSA-N 0 0 249.745 3.744 10 0 BHAERN CC[C@@H]1CCCCN1c1ccccc1[C@H](C)O ZINC000103926516 132433671 /nfs/dbraw/zinc/43/36/71/132433671.db2.gz UCMGKYUHAOAPPP-QWHCGFSZSA-N 0 0 233.355 3.509 10 0 BHAERN CC[C@H]1CCCCN1c1ccccc1[C@H](C)O ZINC000103926519 132434023 /nfs/dbraw/zinc/43/40/23/132434023.db2.gz UCMGKYUHAOAPPP-STQMWFEESA-N 0 0 233.355 3.509 10 0 BHAERN CC[C@H](C)Cn1c(Cl)nnc1-c1ccccc1 ZINC000103928784 171301331 /nfs/dbraw/zinc/30/13/31/171301331.db2.gz PLNGPICJXJNJJF-JTQLQIEISA-N 0 0 249.745 3.645 10 0 BHAERN CC(C)(C)c1ccc(CC[C@H](O)C2CC2)cc1 ZINC000103953448 188323940 /nfs/dbraw/zinc/32/39/40/188323940.db2.gz KWFMVBODIKVXOZ-HNNXBMFYSA-N 0 0 232.367 3.688 10 0 BHAERN CC(C)(C)c1ccc(CC[C@@H](O)C2CC2)cc1 ZINC000103953455 187631922 /nfs/dbraw/zinc/63/19/22/187631922.db2.gz KWFMVBODIKVXOZ-OAHLLOKOSA-N 0 0 232.367 3.688 10 0 BHAERN CCNc1cc(C2CC2)nc2c(F)cc(F)cc12 ZINC000103954603 170172126 /nfs/dbraw/zinc/17/21/26/170172126.db2.gz QBUBRISAVQXNBV-UHFFFAOYSA-N 0 0 248.276 3.822 10 0 BHAERN CC(C)(C)c1ccc2[nH]c(C3CC3)cc(=O)c2c1 ZINC000103957247 187804683 /nfs/dbraw/zinc/80/46/83/187804683.db2.gz XFRJSCMTEASZAO-UHFFFAOYSA-N 0 0 241.334 3.703 10 0 BHAERN CCNc1cc(C2CC2)nc2c(F)cccc12 ZINC000103965110 170172235 /nfs/dbraw/zinc/17/22/35/170172235.db2.gz LXPJATGQFCMMRL-UHFFFAOYSA-N 0 0 230.286 3.683 10 0 BHAERN CCNc1cc(C2CC2)nc2cc(F)c(F)cc21 ZINC000103966893 170171790 /nfs/dbraw/zinc/17/17/90/170171790.db2.gz YBIKBHPQRKTVLR-UHFFFAOYSA-N 0 0 248.276 3.822 10 0 BHAERN CC(C)Oc1ncccc1N[C@H]1CCC[C@@H](C)C1 ZINC000103971523 167314300 /nfs/dbraw/zinc/31/43/00/167314300.db2.gz QHOJLUGWSSLXTC-OLZOCXBDSA-N 0 0 248.370 3.859 10 0 BHAERN CC(C)Oc1ncccc1N[C@H]1CCC[C@H](C)C1 ZINC000103971526 167316344 /nfs/dbraw/zinc/31/63/44/167316344.db2.gz QHOJLUGWSSLXTC-STQMWFEESA-N 0 0 248.370 3.859 10 0 BHAERN CC(C)Oc1ncccc1N[C@@H]1CCC[C@@H](C)C1 ZINC000103971529 167314613 /nfs/dbraw/zinc/31/46/13/167314613.db2.gz QHOJLUGWSSLXTC-CHWSQXEVSA-N 0 0 248.370 3.859 10 0 BHAERN CC(C)Oc1ncccc1N[C@@H]1CCC[C@H](C)C1 ZINC000103971532 167314250 /nfs/dbraw/zinc/31/42/50/167314250.db2.gz QHOJLUGWSSLXTC-QWHCGFSZSA-N 0 0 248.370 3.859 10 0 BHAERN CCCc1cc(NC)nc([C@@H]2CCC[C@@H](C)C2)n1 ZINC000103986774 169567004 /nfs/dbraw/zinc/56/70/04/169567004.db2.gz YQWJCIGKNAKMHJ-VXGBXAGGSA-N 0 0 247.386 3.765 10 0 BHAERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1Oc1cc(N)ccn1 ZINC000103987770 187291359 /nfs/dbraw/zinc/29/13/59/187291359.db2.gz QWAISEJWPGRXLD-MRVWCRGKSA-N 0 0 248.370 3.503 10 0 BHAERN CCNc1nc(CCC(C)C)nc(C)c1C(C)C ZINC000103988582 170176425 /nfs/dbraw/zinc/17/64/25/170176425.db2.gz AIHDRGGGQFQUFL-UHFFFAOYSA-N 0 0 249.402 3.929 10 0 BHAERN Cc1cc(N)cnc1O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000103991126 178108482 /nfs/dbraw/zinc/10/84/82/178108482.db2.gz AYNSWMBDKPYLMB-GXFFZTMASA-N 0 0 248.370 3.566 10 0 BHAERN Cc1cc(N)cnc1O[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000103991134 178108327 /nfs/dbraw/zinc/10/83/27/178108327.db2.gz AYNSWMBDKPYLMB-GWCFXTLKSA-N 0 0 248.370 3.566 10 0 BHAERN Cc1cc(N)cnc1O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000103991144 178108509 /nfs/dbraw/zinc/10/85/09/178108509.db2.gz AYNSWMBDKPYLMB-MFKMUULPSA-N 0 0 248.370 3.566 10 0 BHAERN CCCNc1nc(C(CC)CC)nc2c1CCC2 ZINC000103991917 169295768 /nfs/dbraw/zinc/29/57/68/169295768.db2.gz CGXWQHGZNMVWDO-UHFFFAOYSA-N 0 0 247.386 3.691 10 0 BHAERN CCNc1c2cc(C)cc(F)c2nc(C)c1CC ZINC000104006952 170170269 /nfs/dbraw/zinc/17/02/69/170170269.db2.gz ZLCJWOYTNRMIDF-UHFFFAOYSA-N 0 0 246.329 3.985 10 0 BHAERN C[C@H]1C[C@H](Oc2cccc(F)n2)CC(C)(C)C1 ZINC000104011162 177374598 /nfs/dbraw/zinc/37/45/98/177374598.db2.gz PLDAQLBGGCJAKZ-QWRGUYRKSA-N 0 0 237.318 3.814 10 0 BHAERN C[C@@H]1C[C@@H](Oc2cccc(F)n2)CC(C)(C)C1 ZINC000104011166 176383637 /nfs/dbraw/zinc/38/36/37/176383637.db2.gz PLDAQLBGGCJAKZ-GHMZBOCLSA-N 0 0 237.318 3.814 10 0 BHAERN C[C@H]1C[C@@H](Oc2cccc(F)n2)CC(C)(C)C1 ZINC000104011168 177338737 /nfs/dbraw/zinc/33/87/37/177338737.db2.gz PLDAQLBGGCJAKZ-WDEREUQCSA-N 0 0 237.318 3.814 10 0 BHAERN Cc1ccc(-n2[nH]c(C(C)C)cc2=S)c(C)c1 ZINC000104011970 178348159 /nfs/dbraw/zinc/34/81/59/178348159.db2.gz GLIRVXNKRUUCSQ-UHFFFAOYSA-N 0 0 246.379 3.901 10 0 BHAERN CCCOC(=O)c1ccc(NCC(C)(C)C)cc1 ZINC000104048024 169301042 /nfs/dbraw/zinc/30/10/42/169301042.db2.gz UTCSWQMLESJFBL-UHFFFAOYSA-N 0 0 249.354 3.711 10 0 BHAERN C[C@@H]1CCC[C@H](OCc2c(N)cccc2F)C1 ZINC000104051946 176145876 /nfs/dbraw/zinc/14/58/76/176145876.db2.gz OAZRVZQQZFRASC-MNOVXSKESA-N 0 0 237.318 3.503 10 0 BHAERN C[C@H]1CCC[C@H](OCc2c(N)cccc2F)C1 ZINC000104051950 177138114 /nfs/dbraw/zinc/13/81/14/177138114.db2.gz OAZRVZQQZFRASC-QWRGUYRKSA-N 0 0 237.318 3.503 10 0 BHAERN C[C@@H]1CCC[C@@H](OCc2c(N)cccc2F)C1 ZINC000104051956 176125437 /nfs/dbraw/zinc/12/54/37/176125437.db2.gz OAZRVZQQZFRASC-GHMZBOCLSA-N 0 0 237.318 3.503 10 0 BHAERN C[C@H]1CCC[C@@H](OCc2c(N)cccc2F)C1 ZINC000104051960 187291530 /nfs/dbraw/zinc/29/15/30/187291530.db2.gz OAZRVZQQZFRASC-WDEREUQCSA-N 0 0 237.318 3.503 10 0 BHAERN CCc1ccccc1OCc1c(N)cccc1F ZINC000104051971 171891727 /nfs/dbraw/zinc/89/17/27/171891727.db2.gz GZPLMRUMLDJZEU-UHFFFAOYSA-N 0 0 245.297 3.549 10 0 BHAERN CC(C)(C)CCn1cc(-c2cccc(N)c2)cn1 ZINC000104055165 166576142 /nfs/dbraw/zinc/57/61/42/166576142.db2.gz CYSBOLRYZQFKOK-UHFFFAOYSA-N 0 0 243.354 3.569 10 0 BHAERN CC(C)(C)c1cnc([C@H](O)c2ccccc2)s1 ZINC000104061400 188505593 /nfs/dbraw/zinc/50/55/93/188505593.db2.gz PQQKCROVXRTHPS-GFCCVEGCSA-N 0 0 247.363 3.522 10 0 BHAERN CC(C)(C)c1cnc([C@@H](O)c2ccccc2)s1 ZINC000104061402 188151010 /nfs/dbraw/zinc/15/10/10/188151010.db2.gz PQQKCROVXRTHPS-LBPRGKRZSA-N 0 0 247.363 3.522 10 0 BHAERN c1ccc(-c2ccccc2N[C@@H]2CCOC2)cc1 ZINC000104062197 183380699 /nfs/dbraw/zinc/38/06/99/183380699.db2.gz PONBQJMOOFFQCH-CQSZACIVSA-N 0 0 239.318 3.554 10 0 BHAERN c1ccc(-c2ccccc2N[C@H]2CCOC2)cc1 ZINC000104062200 183380510 /nfs/dbraw/zinc/38/05/10/183380510.db2.gz PONBQJMOOFFQCH-AWEZNQCLSA-N 0 0 239.318 3.554 10 0 BHAERN CCC[C@@H](C)Cn1cc(-c2ccccc2N)cn1 ZINC000104062347 169362499 /nfs/dbraw/zinc/36/24/99/169362499.db2.gz RAMLPDPFZJFCCS-GFCCVEGCSA-N 0 0 243.354 3.569 10 0 BHAERN Cc1cc(F)c2nc3c(c(N)c2c1)CCCCC3 ZINC000104064483 178075899 /nfs/dbraw/zinc/07/58/99/178075899.db2.gz ZOCQPXSFCCSLRM-UHFFFAOYSA-N 0 0 244.313 3.533 10 0 BHAERN COc1ccc(-c2cc(N)ccc2C)cc1C ZINC000104064990 175031772 /nfs/dbraw/zinc/03/17/72/175031772.db2.gz RZRMQWRUTMJQNQ-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN Fc1ccc(-c2nc(Cl)cc(C3CC3)n2)cc1 ZINC000104070498 180958988 /nfs/dbraw/zinc/95/89/88/180958988.db2.gz ZDKRKUJBHCTCKT-UHFFFAOYSA-N 0 0 248.688 3.814 10 0 BHAERN Cc1ccc(-c2csc(N)c2)cc1C ZINC000104076055 178330404 /nfs/dbraw/zinc/33/04/04/178330404.db2.gz XVJMTYLVZYCQEO-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccc(-c2csc(N)c2)c(C)c1 ZINC000104076086 178329876 /nfs/dbraw/zinc/32/98/76/178329876.db2.gz KRSMRUBJDVWPGV-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN COCc1cccc(Nc2cccc(Cl)n2)c1 ZINC000104101868 174633085 /nfs/dbraw/zinc/63/30/85/174633085.db2.gz JZIRRDQFTJKDNA-UHFFFAOYSA-N 0 0 248.713 3.625 10 0 BHAERN COc1ccc(Nc2cccc(Cl)n2)cc1C ZINC000104101882 188323582 /nfs/dbraw/zinc/32/35/82/188323582.db2.gz VVLXMBIQCVEKLM-UHFFFAOYSA-N 0 0 248.713 3.796 10 0 BHAERN CCOc1cccc(N[C@H](C)C2CCCCC2)n1 ZINC000104103037 170582237 /nfs/dbraw/zinc/58/22/37/170582237.db2.gz PQQGONIDYXYIFL-GFCCVEGCSA-N 0 0 248.370 3.861 10 0 BHAERN Clc1cccc(OC/C=C/c2ccccc2)n1 ZINC000104104316 180591716 /nfs/dbraw/zinc/59/17/16/180591716.db2.gz AHOAGDKAMDLOOQ-VMPITWQZSA-N 0 0 245.709 3.827 10 0 BHAERN CCOc1cccc(N[C@@H](C)c2ccsc2)n1 ZINC000104105601 170583019 /nfs/dbraw/zinc/58/30/19/170583019.db2.gz UQRQVUWAGXYCLB-JTQLQIEISA-N 0 0 248.351 3.715 10 0 BHAERN CCOc1cccc(N[C@H](C)c2ccsc2)n1 ZINC000104105607 170582471 /nfs/dbraw/zinc/58/24/71/170582471.db2.gz UQRQVUWAGXYCLB-SNVBAGLBSA-N 0 0 248.351 3.715 10 0 BHAERN COc1ccc(N(C)c2cccc(Cl)n2)cc1 ZINC000104106916 175136431 /nfs/dbraw/zinc/13/64/31/175136431.db2.gz MYISOXAAAMMSJC-UHFFFAOYSA-N 0 0 248.713 3.512 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Nc1cnnc2ccccc21 ZINC000104108208 176081426 /nfs/dbraw/zinc/08/14/26/176081426.db2.gz BEMVPGQPHMMBTA-YPMHNXCESA-N 0 0 241.338 3.620 10 0 BHAERN C[C@@H]1CCCC[C@H]1Nc1cnnc2ccccc21 ZINC000104108214 176089344 /nfs/dbraw/zinc/08/93/44/176089344.db2.gz BEMVPGQPHMMBTA-DGCLKSJQSA-N 0 0 241.338 3.620 10 0 BHAERN COc1cccc(NC2CCCCCCC2)n1 ZINC000104111014 175277775 /nfs/dbraw/zinc/27/77/75/175277775.db2.gz HFPCOCGYYDDHOL-UHFFFAOYSA-N 0 0 234.343 3.615 10 0 BHAERN C[C@H](Cc1ccccc1)Nc1cccc(Cl)n1 ZINC000104114665 176724575 /nfs/dbraw/zinc/72/45/75/176724575.db2.gz WPUWMUXSDNXLLB-LLVKDONJSA-N 0 0 246.741 3.778 10 0 BHAERN CCOc1cccc(NC[C@@H]2CCCC[C@@H]2C)n1 ZINC000104119324 170581734 /nfs/dbraw/zinc/58/17/34/170581734.db2.gz ISMJZCOLJRMCFH-STQMWFEESA-N 0 0 248.370 3.719 10 0 BHAERN CCOc1cccc(NC[C@H]2CCCC[C@@H]2C)n1 ZINC000104119327 170581415 /nfs/dbraw/zinc/58/14/15/170581415.db2.gz ISMJZCOLJRMCFH-QWHCGFSZSA-N 0 0 248.370 3.719 10 0 BHAERN CN(C)c1ccc(Nc2cccc(Cl)n2)cc1 ZINC000104120859 188150833 /nfs/dbraw/zinc/15/08/33/188150833.db2.gz ULGJDSJYDLIMNK-UHFFFAOYSA-N 0 0 247.729 3.545 10 0 BHAERN COc1cc(Oc2ccccc2C)c(N)cc1F ZINC000104126536 175012909 /nfs/dbraw/zinc/01/29/09/175012909.db2.gz WKXDLSHPPHNVDE-UHFFFAOYSA-N 0 0 247.269 3.517 10 0 BHAERN COc1cc(Oc2ccc(C)cc2)c(N)cc1F ZINC000104127693 175013438 /nfs/dbraw/zinc/01/34/38/175013438.db2.gz UDJZQXSZELPLRM-UHFFFAOYSA-N 0 0 247.269 3.517 10 0 BHAERN CCNc1nc(C2CCCCC2)nc(CC)c1C ZINC000104146181 170175983 /nfs/dbraw/zinc/17/59/83/170175983.db2.gz KSUSDWFOWKNGTK-UHFFFAOYSA-N 0 0 247.386 3.827 10 0 BHAERN Cc1ccc2[nH]cc(C(=O)c3ccsc3)c2c1 ZINC000104153498 178936715 /nfs/dbraw/zinc/93/67/15/178936715.db2.gz FTAKUEFGHYSWBP-UHFFFAOYSA-N 0 0 241.315 3.769 10 0 BHAERN Cc1ccc2c(ccn2CC(=O)C(C)(C)C)c1 ZINC000104153532 178967568 /nfs/dbraw/zinc/96/75/68/178967568.db2.gz QSALLZSYQDDWQP-UHFFFAOYSA-N 0 0 229.323 3.565 10 0 BHAERN CCCCCCn1cc(-c2ccccc2N)cn1 ZINC000104161275 168681226 /nfs/dbraw/zinc/68/12/26/168681226.db2.gz QZPKQHJFFUFPDI-UHFFFAOYSA-N 0 0 243.354 3.713 10 0 BHAERN CCCCc1ccc2[nH]c(CC)c(C)c(=O)c2c1 ZINC000104162299 169024807 /nfs/dbraw/zinc/02/48/07/169024807.db2.gz UETQFSIVTINXKE-UHFFFAOYSA-N 0 0 243.350 3.742 10 0 BHAERN CCc1nc2ccc(N(C)C)cc2c(Cl)c1C ZINC000104163571 172012855 /nfs/dbraw/zinc/01/28/55/172012855.db2.gz DXHPNNZEKNKXEB-UHFFFAOYSA-N 0 0 248.757 3.825 10 0 BHAERN Cc1cccc(C(=O)c2ccc3ccccc3c2)n1 ZINC000104163630 179027253 /nfs/dbraw/zinc/02/72/53/179027253.db2.gz HJBDDFDBBCWQLM-UHFFFAOYSA-N 0 0 247.297 3.774 10 0 BHAERN CCc1nc2c(COC)cccc2c(Cl)c1C ZINC000104165297 172008297 /nfs/dbraw/zinc/00/82/97/172008297.db2.gz XDYXBPZVWDNYLU-UHFFFAOYSA-N 0 0 249.741 3.905 10 0 BHAERN CCc1[nH+]c2c(C)c(F)ccc2c(NC)c1C ZINC000104166299 172008847 /nfs/dbraw/zinc/00/88/47/172008847.db2.gz PRQZFELMYPHMAG-UHFFFAOYSA-N 0 0 232.302 3.595 10 0 BHAERN CC[C@H](O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000104167146 187292233 /nfs/dbraw/zinc/29/22/33/187292233.db2.gz PKIJBVBESJVKTP-CABZTGNLSA-N 0 0 246.272 3.655 10 0 BHAERN CC[C@@H](O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000104167149 188323427 /nfs/dbraw/zinc/32/34/27/188323427.db2.gz PKIJBVBESJVKTP-JOYOIKCWSA-N 0 0 246.272 3.655 10 0 BHAERN CC[C@H](O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000104167152 187292286 /nfs/dbraw/zinc/29/22/86/187292286.db2.gz PKIJBVBESJVKTP-SKDRFNHKSA-N 0 0 246.272 3.655 10 0 BHAERN CC[C@@H](O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000104167155 187460479 /nfs/dbraw/zinc/46/04/79/187460479.db2.gz PKIJBVBESJVKTP-BXKDBHETSA-N 0 0 246.272 3.655 10 0 BHAERN Cc1cccc([C@H](O)c2ccc3ccccc3c2)n1 ZINC000104167249 179203677 /nfs/dbraw/zinc/20/36/77/179203677.db2.gz KQGFWPXJJPXWCR-QGZVFWFLSA-N 0 0 249.313 3.625 10 0 BHAERN Cc1cccc([C@@H](O)c2ccc3ccccc3c2)n1 ZINC000104167256 179188204 /nfs/dbraw/zinc/18/82/04/179188204.db2.gz KQGFWPXJJPXWCR-KRWDZBQOSA-N 0 0 249.313 3.625 10 0 BHAERN CCCNc1n[nH]c2c1C[C@@H](C(C)(C)CC)CC2 ZINC000104169146 169293411 /nfs/dbraw/zinc/29/34/11/169293411.db2.gz DYGWJJWBFCOXOG-NSHDSACASA-N 0 0 249.402 3.773 10 0 BHAERN CCCNc1n[nH]c2c1C[C@H](C(C)(C)CC)CC2 ZINC000104169149 169294090 /nfs/dbraw/zinc/29/40/90/169294090.db2.gz DYGWJJWBFCOXOG-LLVKDONJSA-N 0 0 249.402 3.773 10 0 BHAERN Cc1ccc(-c2cc(NCC(C)C)n[nH]2)cc1C ZINC000104173190 178322252 /nfs/dbraw/zinc/32/22/52/178322252.db2.gz WRXJEJXLTJOFJY-UHFFFAOYSA-N 0 0 243.354 3.761 10 0 BHAERN CC(C)CNc1n[nH]c2c1CCC[C@H]2C(C)(C)C ZINC000104173196 167015344 /nfs/dbraw/zinc/01/53/44/167015344.db2.gz WWRXTFIBXMDTRY-GFCCVEGCSA-N 0 0 249.402 3.944 10 0 BHAERN CC(C)CNc1n[nH]c2c1CCC[C@@H]2C(C)(C)C ZINC000104173201 167014948 /nfs/dbraw/zinc/01/49/48/167014948.db2.gz WWRXTFIBXMDTRY-LBPRGKRZSA-N 0 0 249.402 3.944 10 0 BHAERN CCCNc1nc2c(cccc2CC)cc1C ZINC000104174444 169295411 /nfs/dbraw/zinc/29/54/11/169295411.db2.gz KBZZEDLPWQYPSB-UHFFFAOYSA-N 0 0 228.339 3.928 10 0 BHAERN CC(C)c1cc(NCCC2CCCCC2)ncn1 ZINC000104174977 167574937 /nfs/dbraw/zinc/57/49/37/167574937.db2.gz UYVHXOHMBAOOAZ-UHFFFAOYSA-N 0 0 247.386 3.982 10 0 BHAERN CCC1CCC(CNc2ccc(F)cn2)CC1 ZINC000104176178 168515953 /nfs/dbraw/zinc/51/59/53/168515953.db2.gz QRYPBELCFQKXBA-UHFFFAOYSA-N 0 0 236.334 3.849 10 0 BHAERN CCCNc1nc2c(C)cc(C)cc2cc1C ZINC000104178241 169295632 /nfs/dbraw/zinc/29/56/32/169295632.db2.gz WXHMISRNSKDUOW-UHFFFAOYSA-N 0 0 228.339 3.982 10 0 BHAERN CCCNc1nc2cc(C)cc(C)c2cc1C ZINC000104179534 169297204 /nfs/dbraw/zinc/29/72/04/169297204.db2.gz QXBJLLAKWNPMQU-UHFFFAOYSA-N 0 0 228.339 3.982 10 0 BHAERN CCN(c1ccc(C=O)cc1C)C1CCCCC1 ZINC000104179973 169942094 /nfs/dbraw/zinc/94/20/94/169942094.db2.gz SQHGQYOEOZPPHF-UHFFFAOYSA-N 0 0 245.366 3.967 10 0 BHAERN Cc1cc(N(C)C2CCCCCC2)ccc1C=O ZINC000104181015 178096819 /nfs/dbraw/zinc/09/68/19/178096819.db2.gz CJXHBMPWQCIKIJ-UHFFFAOYSA-N 0 0 245.366 3.967 10 0 BHAERN CCCC1CCC(Nc2nc(C)cc(C)n2)CC1 ZINC000104181064 168606548 /nfs/dbraw/zinc/60/65/48/168606548.db2.gz XDZFNPHQLYUJEB-UHFFFAOYSA-N 0 0 247.386 3.864 10 0 BHAERN CCNc1nc2c(C)ccc(C)c2cc1CC ZINC000104181573 170176928 /nfs/dbraw/zinc/17/69/28/170176928.db2.gz HTKJWTLYDPGNSZ-UHFFFAOYSA-N 0 0 228.339 3.846 10 0 BHAERN CCCCc1ccc2nc(NC)c(C)cc2c1 ZINC000104181578 169024952 /nfs/dbraw/zinc/02/49/52/169024952.db2.gz OPPIHXPCKQZYSL-UHFFFAOYSA-N 0 0 228.339 3.928 10 0 BHAERN CCC[C@@H](CC)Nc1nc2ccccc2nc1C ZINC000104181929 169380215 /nfs/dbraw/zinc/38/02/15/169380215.db2.gz AETKOCAIGZZZJN-GFCCVEGCSA-N 0 0 243.354 3.929 10 0 BHAERN CC(C)c1cc(NCC2CCC(C)CC2)ncn1 ZINC000104182863 168156312 /nfs/dbraw/zinc/15/63/12/168156312.db2.gz ZKMCDKBGRLCEBT-UHFFFAOYSA-N 0 0 247.386 3.838 10 0 BHAERN Cc1cc(N(C)C2CCC(C)CC2)ccc1C=O ZINC000104183734 178097607 /nfs/dbraw/zinc/09/76/07/178097607.db2.gz KMXJDPAAQOOLKI-UHFFFAOYSA-N 0 0 245.366 3.822 10 0 BHAERN CCC(CC)CN(CC)c1ccc(C=O)cc1 ZINC000104183736 168351080 /nfs/dbraw/zinc/35/10/80/168351080.db2.gz TWVCVITXHKALID-UHFFFAOYSA-N 0 0 233.355 3.762 10 0 BHAERN Cc1cc(N(C)CC2CCCCC2)ccc1C=O ZINC000104184652 178097642 /nfs/dbraw/zinc/09/76/42/178097642.db2.gz FIZVFLVKPPITTA-UHFFFAOYSA-N 0 0 245.366 3.824 10 0 BHAERN CCCc1cc2cccc(C)c2nc1NCC ZINC000104185348 169568956 /nfs/dbraw/zinc/56/89/56/169568956.db2.gz SHMLPJIMBLXFIK-UHFFFAOYSA-N 0 0 228.339 3.928 10 0 BHAERN Cc1cc(N)cc(C)c1OCc1ccccc1F ZINC000104190953 187292338 /nfs/dbraw/zinc/29/23/38/187292338.db2.gz YMFYTQYAXYQNOZ-UHFFFAOYSA-N 0 0 245.297 3.604 10 0 BHAERN CCC[C@@H](C)C(=O)[C@@H]1CCOc2ccccc21 ZINC000104196338 169353774 /nfs/dbraw/zinc/35/37/74/169353774.db2.gz PEAMCGTYOFRGSZ-DGCLKSJQSA-N 0 0 232.323 3.558 10 0 BHAERN CCC[C@@H](C)C(=O)[C@H]1CCOc2ccccc21 ZINC000104196344 169354481 /nfs/dbraw/zinc/35/44/81/169354481.db2.gz PEAMCGTYOFRGSZ-YPMHNXCESA-N 0 0 232.323 3.558 10 0 BHAERN CCC(C)(C)C(=O)[C@@H]1CCOc2ccccc21 ZINC000104197579 168269889 /nfs/dbraw/zinc/26/98/89/168269889.db2.gz IUHUMPPGSYNRQJ-GFCCVEGCSA-N 0 0 232.323 3.558 10 0 BHAERN CCC(C)(C)C(=O)[C@H]1CCOc2ccccc21 ZINC000104197583 168270510 /nfs/dbraw/zinc/27/05/10/168270510.db2.gz IUHUMPPGSYNRQJ-LBPRGKRZSA-N 0 0 232.323 3.558 10 0 BHAERN CCCC[C@H](CC)c1nc2c(cccc2N)[nH]1 ZINC000104198056 169000715 /nfs/dbraw/zinc/00/07/15/169000715.db2.gz FSPVYQMCJBETNU-JTQLQIEISA-N 0 0 231.343 3.829 10 0 BHAERN CC[C@H](C)[C@@H](c1ccccc1)[C@H](O)c1cc[nH]c1 ZINC000104208413 171380854 /nfs/dbraw/zinc/38/08/54/171380854.db2.gz XSVWESZMALSAHK-VBNZEHGJSA-N 0 0 243.350 3.878 10 0 BHAERN CC[C@@H](C)CN(C)c1ccc(N)cc1C(F)F ZINC000104208504 170699973 /nfs/dbraw/zinc/69/99/73/170699973.db2.gz CIURCLNQZSTLPJ-SECBINFHSA-N 0 0 242.313 3.689 10 0 BHAERN CC[C@H](C)CN(C)c1ccc(N)cc1C(F)F ZINC000104208508 171276293 /nfs/dbraw/zinc/27/62/93/171276293.db2.gz CIURCLNQZSTLPJ-VIFPVBQESA-N 0 0 242.313 3.689 10 0 BHAERN CCc1cccc(Nc2ncnc(Cl)c2C)c1 ZINC000104210489 171864092 /nfs/dbraw/zinc/86/40/92/171864092.db2.gz AGEICNPVHVCLJU-UHFFFAOYSA-N 0 0 247.729 3.744 10 0 BHAERN Cc1ccccc1N(C)c1ncnc(Cl)c1C ZINC000104212472 179295243 /nfs/dbraw/zinc/29/52/43/179295243.db2.gz JXVLMGHYQAKEEP-UHFFFAOYSA-N 0 0 247.729 3.515 10 0 BHAERN O[C@@H](Cc1csc2ccccc12)c1ccco1 ZINC000104212810 183184655 /nfs/dbraw/zinc/18/46/55/183184655.db2.gz LXKJDMKOOMLVIM-LBPRGKRZSA-N 0 0 244.315 3.770 10 0 BHAERN O[C@H](Cc1csc2ccccc12)c1ccco1 ZINC000104212814 183228811 /nfs/dbraw/zinc/22/88/11/183228811.db2.gz LXKJDMKOOMLVIM-GFCCVEGCSA-N 0 0 244.315 3.770 10 0 BHAERN CCC(CC)N(C)c1ccc(N)cc1C(F)F ZINC000104215328 168368533 /nfs/dbraw/zinc/36/85/33/168368533.db2.gz BYPPYCIJGUXCIP-UHFFFAOYSA-N 0 0 242.313 3.831 10 0 BHAERN Cc1cc(C)cc(-c2nc3c(nccc3C)[nH]2)c1 ZINC000104219501 177889856 /nfs/dbraw/zinc/88/98/56/177889856.db2.gz BEJPOJZRYSUZDX-UHFFFAOYSA-N 0 0 237.306 3.550 10 0 BHAERN CC1(Nc2ccc(N)cc2C(F)F)CCCC1 ZINC000104222672 168064300 /nfs/dbraw/zinc/06/43/00/168064300.db2.gz KCMQLPVMWCPRCK-UHFFFAOYSA-N 0 0 240.297 3.951 10 0 BHAERN Cc1ccc(Oc2ncnc(Cl)c2C)cc1C ZINC000104222755 178822553 /nfs/dbraw/zinc/82/25/53/178822553.db2.gz AQTGWGQGVBWGGP-UHFFFAOYSA-N 0 0 248.713 3.848 10 0 BHAERN CCc1cccc(Oc2ncnc(Cl)c2C)c1 ZINC000104224705 171866766 /nfs/dbraw/zinc/86/67/66/171866766.db2.gz UNTXVRIADLEBND-UHFFFAOYSA-N 0 0 248.713 3.793 10 0 BHAERN CC[C@H](C)[C@@H](c1ccccc1)[C@H](O)c1ccc[nH]1 ZINC000104229192 171380845 /nfs/dbraw/zinc/38/08/45/171380845.db2.gz YIBGQGLKIXBILZ-VBNZEHGJSA-N 0 0 243.350 3.878 10 0 BHAERN CCOc1cc(N[C@@H]2CCCC[C@H]2C)ccc1N ZINC000104235534 517725250 /nfs/dbraw/zinc/72/52/50/517725250.db2.gz DFZSJQWSFKTBNS-BXUZGUMPSA-N 0 0 248.370 3.658 10 0 BHAERN CNc1ccccc1-c1nc2ccc(F)cc2o1 ZINC000104238699 173481695 /nfs/dbraw/zinc/48/16/95/173481695.db2.gz GXVYOHNRNUVLOF-UHFFFAOYSA-N 0 0 242.253 3.676 10 0 BHAERN CCCOc1cc(Nc2ccccc2)ccc1N ZINC000104243092 169315522 /nfs/dbraw/zinc/31/55/22/169315522.db2.gz ORDMDJNYBKIMQU-UHFFFAOYSA-N 0 0 242.322 3.801 10 0 BHAERN Cc1c(N)cccc1-c1nc2ccc(F)cc2o1 ZINC000104243374 187292408 /nfs/dbraw/zinc/29/24/08/187292408.db2.gz SJZKCYXNHSXOBY-UHFFFAOYSA-N 0 0 242.253 3.525 10 0 BHAERN CCOc1cc(N[C@@H](C)CC(C)C)ccc1N ZINC000104249185 170526327 /nfs/dbraw/zinc/52/63/27/170526327.db2.gz ICRAZTIZGPJTIU-NSHDSACASA-N 0 0 236.359 3.514 10 0 BHAERN COc1cc(Oc2ccc(C)cc2C)ccc1N ZINC000104249371 175013225 /nfs/dbraw/zinc/01/32/25/175013225.db2.gz KEMSZWROESJEAD-UHFFFAOYSA-N 0 0 243.306 3.687 10 0 BHAERN COc1cc(Nc2ccc(C)cc2C)ccc1N ZINC000104252181 187978697 /nfs/dbraw/zinc/97/86/97/187978697.db2.gz OGWWOXXMNCQPMU-UHFFFAOYSA-N 0 0 242.322 3.638 10 0 BHAERN COc1cc(Oc2cc(C)ccc2C)ccc1N ZINC000104252352 175012912 /nfs/dbraw/zinc/01/29/12/175012912.db2.gz MFAJTBJODZRWOO-UHFFFAOYSA-N 0 0 243.306 3.687 10 0 BHAERN COc1cc(Oc2cc(C)cc(C)c2)ccc1N ZINC000104252357 175013114 /nfs/dbraw/zinc/01/31/14/175013114.db2.gz UEOWILKFWNQFQT-UHFFFAOYSA-N 0 0 243.306 3.687 10 0 BHAERN COc1cc(Nc2ccc(Cl)cc2)ccc1N ZINC000104253542 187292244 /nfs/dbraw/zinc/29/22/44/187292244.db2.gz MTWOGUUENCSXEF-UHFFFAOYSA-N 0 0 248.713 3.674 10 0 BHAERN COc1cccc(C(=O)CCc2cccs2)c1 ZINC000104268310 175242094 /nfs/dbraw/zinc/24/20/94/175242094.db2.gz OZCURNCBHCGBGR-UHFFFAOYSA-N 0 0 246.331 3.572 10 0 BHAERN Cc1cccc(C[C@H](O)CCc2cccs2)c1 ZINC000104277532 179105568 /nfs/dbraw/zinc/10/55/68/179105568.db2.gz MNCRDUFVWWELKC-CQSZACIVSA-N 0 0 246.375 3.593 10 0 BHAERN Cc1cccc(C[C@@H](O)CCc2cccs2)c1 ZINC000104277539 179104384 /nfs/dbraw/zinc/10/43/84/179104384.db2.gz MNCRDUFVWWELKC-AWEZNQCLSA-N 0 0 246.375 3.593 10 0 BHAERN COc1ccc(NCCc2cccs2)cc1C ZINC000104283339 175150928 /nfs/dbraw/zinc/15/09/28/175150928.db2.gz KSHSQMONAUNCFJ-UHFFFAOYSA-N 0 0 247.363 3.720 10 0 BHAERN Cc1cc2ccccc2n1CCc1cccnc1 ZINC000104290708 178299458 /nfs/dbraw/zinc/29/94/58/178299458.db2.gz XADFHEPOKRJHCR-UHFFFAOYSA-N 0 0 236.318 3.587 10 0 BHAERN Cc1cc2ccccc2n1CCc1ccccn1 ZINC000104293020 178298671 /nfs/dbraw/zinc/29/86/71/178298671.db2.gz VXDZXQZISHIKTO-UHFFFAOYSA-N 0 0 236.318 3.587 10 0 BHAERN CC[C@H](C)Sc1nc2ccccc2cc1CO ZINC000104298540 171357140 /nfs/dbraw/zinc/35/71/40/171357140.db2.gz UWLPLWBYASAQCY-JTQLQIEISA-N 0 0 247.363 3.618 10 0 BHAERN Cc1cc2ccccc2n1Cc1csc(C)n1 ZINC000104301550 179991362 /nfs/dbraw/zinc/99/13/62/179991362.db2.gz VEAHQZSVABYWJI-UHFFFAOYSA-N 0 0 242.347 3.763 10 0 BHAERN Cc1cc2ccccc2n1CCC(C)C ZINC000104301566 178298014 /nfs/dbraw/zinc/29/80/14/178298014.db2.gz GOAFPMIIRMLRQU-UHFFFAOYSA-N 0 0 201.313 3.996 10 0 BHAERN CC[C@H](C)Sc1nc2ccccc2cc1C=O ZINC000104302211 171357259 /nfs/dbraw/zinc/35/72/59/171357259.db2.gz FIUZDFJQGOYCME-JTQLQIEISA-N 0 0 245.347 3.938 10 0 BHAERN Cc1cc2ccccc2n1C[C@@H]1CCCCO1 ZINC000104302626 178298787 /nfs/dbraw/zinc/29/87/87/178298787.db2.gz HQIUMTIZGCGYKP-AWEZNQCLSA-N 0 0 229.323 3.519 10 0 BHAERN Cc1cc2ccccc2n1C[C@H]1CCCCO1 ZINC000104302630 178298888 /nfs/dbraw/zinc/29/88/88/178298888.db2.gz HQIUMTIZGCGYKP-CQSZACIVSA-N 0 0 229.323 3.519 10 0 BHAERN c1cc2cc(NC[C@@H]3CCCOC3)ccc2s1 ZINC000104307226 183374401 /nfs/dbraw/zinc/37/44/01/183374401.db2.gz XYPAONFVVRLMJE-NSHDSACASA-N 0 0 247.363 3.740 10 0 BHAERN c1cc2cc(NC[C@H]3CCCOC3)ccc2s1 ZINC000104307230 183375050 /nfs/dbraw/zinc/37/50/50/183375050.db2.gz XYPAONFVVRLMJE-LLVKDONJSA-N 0 0 247.363 3.740 10 0 BHAERN Nc1cccc(Cl)c1COCc1ccccc1 ZINC000104312019 181744587 /nfs/dbraw/zinc/74/45/87/181744587.db2.gz MEHBHIVZBNUAIG-UHFFFAOYSA-N 0 0 247.725 3.639 10 0 BHAERN O[C@H]1CCC[C@H]1C[C@@H]1CCCc2ccccc21 ZINC000104316314 183238720 /nfs/dbraw/zinc/23/87/20/183238720.db2.gz VPVPHNJPKJAIPR-DZKIICNBSA-N 0 0 230.351 3.658 10 0 BHAERN O[C@H]1CCC[C@@H]1C[C@@H]1CCCc2ccccc21 ZINC000104316321 183237040 /nfs/dbraw/zinc/23/70/40/183237040.db2.gz VPVPHNJPKJAIPR-LZWOXQAQSA-N 0 0 230.351 3.658 10 0 BHAERN OC1(C[C@H]2CCCc3ccccc32)CCCC1 ZINC000104319029 183021937 /nfs/dbraw/zinc/02/19/37/183021937.db2.gz SANHMJABJJEOHP-CQSZACIVSA-N 0 0 230.351 3.802 10 0 BHAERN OC1(C[C@@H]2CCCc3ccccc32)CCCC1 ZINC000104319033 183021312 /nfs/dbraw/zinc/02/13/12/183021312.db2.gz SANHMJABJJEOHP-AWEZNQCLSA-N 0 0 230.351 3.802 10 0 BHAERN C[C@@](O)(C[C@@H]1CCCc2ccccc21)C1CC1 ZINC000104320139 176520516 /nfs/dbraw/zinc/52/05/16/176520516.db2.gz JMTNDRZLOQJMGO-XJKSGUPXSA-N 0 0 230.351 3.658 10 0 BHAERN O=C(C[C@H]1CCCc2ccccc21)C(F)(F)F ZINC000104326783 182029802 /nfs/dbraw/zinc/02/98/02/182029802.db2.gz XEDICSKAYPMXHK-SNVBAGLBSA-N 0 0 242.240 3.628 10 0 BHAERN O=C(C[C@@H]1CCCc2ccccc21)C(F)(F)F ZINC000104326788 182021108 /nfs/dbraw/zinc/02/11/08/182021108.db2.gz XEDICSKAYPMXHK-JTQLQIEISA-N 0 0 242.240 3.628 10 0 BHAERN CSc1ccccc1OCc1ccccc1N ZINC000104329045 175584812 /nfs/dbraw/zinc/58/48/12/175584812.db2.gz BSVQEILYMDLLCY-UHFFFAOYSA-N 0 0 245.347 3.570 10 0 BHAERN Cc1ccc(-c2nc(C3CC3)sc2N)cc1F ZINC000104330133 178334921 /nfs/dbraw/zinc/33/49/21/178334921.db2.gz NSKJPURMTLSDAS-UHFFFAOYSA-N 0 0 248.326 3.717 10 0 BHAERN Cc1ccc([C@@H](C)O)c(OCc2cccs2)c1 ZINC000104334401 178852562 /nfs/dbraw/zinc/85/25/62/178852562.db2.gz CHEJGWBYJUEEOO-LLVKDONJSA-N 0 0 248.347 3.689 10 0 BHAERN Cc1ccc(/C=C(\CC(C)C)[N+](=O)[O-])cc1F ZINC000104341401 178352184 /nfs/dbraw/zinc/35/21/84/178352184.db2.gz PHXWNHIEJYIUEW-KPKJPENVSA-N 0 0 237.274 3.798 10 0 BHAERN CSc1ccc(Oc2cc(F)ccc2N)cc1 ZINC000104342587 188324436 /nfs/dbraw/zinc/32/44/36/188324436.db2.gz GTTKAGANQDMELI-UHFFFAOYSA-N 0 0 249.310 3.922 10 0 BHAERN CCNc1nc(C2CC2)nc2sc(CC)cc21 ZINC000104348447 170176430 /nfs/dbraw/zinc/17/64/30/170176430.db2.gz PCCXYLMYNVATEL-UHFFFAOYSA-N 0 0 247.367 3.563 10 0 BHAERN CCCNc1nc(CC)nc2sc(CC)cc21 ZINC000104349961 169296214 /nfs/dbraw/zinc/29/62/14/169296214.db2.gz ACQFBGARPQKUIF-UHFFFAOYSA-N 0 0 249.383 3.638 10 0 BHAERN CC(=O)c1ccccc1N1CCC[C@H](C)CC1 ZINC000104357910 166481107 /nfs/dbraw/zinc/48/11/07/166481107.db2.gz MGRWINPZLPMKRI-LBPRGKRZSA-N 0 0 231.339 3.516 10 0 BHAERN CC(=O)c1ccc(N(C)CC2CCCC2)cc1 ZINC000104362442 166461988 /nfs/dbraw/zinc/46/19/88/166461988.db2.gz FAIGUSPXNBJZQU-UHFFFAOYSA-N 0 0 231.339 3.516 10 0 BHAERN CC1=CCC[C@]2(C)CC[C@@H](C(C)C)C(=O)[C@H]12 ZINC000104368037 571842950 /nfs/dbraw/zinc/84/29/50/571842950.db2.gz OUIUORSUNABXEN-KCQAQPDRSA-N 0 0 220.356 3.984 10 0 endogenous,in-man BHAERN Cc1cccc2c1NC(=O)[C@@H]2C1CCCCC1 ZINC000104381019 179219825 /nfs/dbraw/zinc/21/98/25/179219825.db2.gz JSPKRCCJVACLPQ-CYBMUJFWSA-N 0 0 229.323 3.611 10 0 BHAERN CC[C@@H]1CCCC[C@H]1N(C)c1cccc(N)c1 ZINC000104384332 170970459 /nfs/dbraw/zinc/97/04/59/170970459.db2.gz JKTHNPHHVSMDJP-IUODEOHRSA-N 0 0 232.371 3.674 10 0 BHAERN O=C1Nc2ccc(Cl)cc2[C@@H]1C1CCCC1 ZINC000104386095 182823117 /nfs/dbraw/zinc/82/31/17/182823117.db2.gz IBOMOSIJIRHLNR-LBPRGKRZSA-N 0 0 235.714 3.566 10 0 BHAERN CCc1nccn1[C@@H]1CCCC[C@@H]1CC ZINC000104388049 172029671 /nfs/dbraw/zinc/02/96/71/172029671.db2.gz YCQMYNLEUOSTEC-NWDGAFQWSA-N 0 0 206.333 3.587 10 0 BHAERN CCc1nccn1[C@H]1CCCC[C@@H]1CC ZINC000104388052 172029715 /nfs/dbraw/zinc/02/97/15/172029715.db2.gz YCQMYNLEUOSTEC-RYUDHWBXSA-N 0 0 206.333 3.587 10 0 BHAERN CCc1nccn1[C@@H]1CCCC[C@H]1CC ZINC000104388055 172029810 /nfs/dbraw/zinc/02/98/10/172029810.db2.gz YCQMYNLEUOSTEC-VXGBXAGGSA-N 0 0 206.333 3.587 10 0 BHAERN CCc1nccn1[C@H]1CCCC[C@H]1CC ZINC000104388058 172029241 /nfs/dbraw/zinc/02/92/41/172029241.db2.gz YCQMYNLEUOSTEC-NEPJUHHUSA-N 0 0 206.333 3.587 10 0 BHAERN O=C1Nc2ccc(Cl)cc2[C@@H]1C1CCCCC1 ZINC000104397370 182823920 /nfs/dbraw/zinc/82/39/20/182823920.db2.gz MTNHRRCFWIICSI-ZDUSSCGKSA-N 0 0 249.741 3.956 10 0 BHAERN CCC(CC)[C@@H](C)n1ccc2c1CCC[C@@H]2O ZINC000104408666 168399100 /nfs/dbraw/zinc/39/91/00/168399100.db2.gz MZBAHMOCWFNPMZ-ABAIWWIYSA-N 0 0 235.371 3.855 10 0 BHAERN CCC(CC)[C@H](C)n1ccc2c1CCC[C@@H]2O ZINC000104408669 168405787 /nfs/dbraw/zinc/40/57/87/168405787.db2.gz MZBAHMOCWFNPMZ-NHYWBVRUSA-N 0 0 235.371 3.855 10 0 BHAERN CCC(CC)[C@@H](C)n1ccc2c1CCC[C@H]2O ZINC000104408671 168399295 /nfs/dbraw/zinc/39/92/95/168399295.db2.gz MZBAHMOCWFNPMZ-IAQYHMDHSA-N 0 0 235.371 3.855 10 0 BHAERN CCC(CC)[C@H](C)n1ccc2c1CCC[C@H]2O ZINC000104408674 168405244 /nfs/dbraw/zinc/40/52/44/168405244.db2.gz MZBAHMOCWFNPMZ-XHDPSFHLSA-N 0 0 235.371 3.855 10 0 BHAERN Cc1ccc(Cn2ccc3cc(F)ccc32)o1 ZINC000104412690 178665808 /nfs/dbraw/zinc/66/58/08/178665808.db2.gz MZJSGMGKIHJTCW-UHFFFAOYSA-N 0 0 229.254 3.730 10 0 BHAERN Cc1cc(C(=O)OCCCC(C)C)ccc1F ZINC000104422484 177826000 /nfs/dbraw/zinc/82/60/00/177826000.db2.gz BAIXWBRNKPGKIY-UHFFFAOYSA-N 0 0 238.302 3.727 10 0 BHAERN CC[C@@H]1CCCC[C@@H]1Oc1ccc(N)cc1OC ZINC000104428910 170968242 /nfs/dbraw/zinc/96/82/42/170968242.db2.gz DLUJVDROKUQGIU-YPMHNXCESA-N 0 0 249.354 3.625 10 0 BHAERN CC[C@H]1CCCC[C@H]1Oc1ccc(N)cc1OC ZINC000104428921 171613172 /nfs/dbraw/zinc/61/31/72/171613172.db2.gz DLUJVDROKUQGIU-WCQYABFASA-N 0 0 249.354 3.625 10 0 BHAERN Cc1c(N)cccc1NC(=O)C[C@@H](C)C(C)(C)C ZINC000104431261 177614176 /nfs/dbraw/zinc/61/41/76/177614176.db2.gz BISZCDSNIOUAAE-SNVBAGLBSA-N 0 0 248.370 3.588 10 0 BHAERN Cc1c(N)cccc1NC(=O)C[C@H](C)C(C)(C)C ZINC000104431265 177613983 /nfs/dbraw/zinc/61/39/83/177613983.db2.gz BISZCDSNIOUAAE-JTQLQIEISA-N 0 0 248.370 3.588 10 0 BHAERN CCC(CC)[C@@H](C)Nc1c(N)ccc(F)c1F ZINC000104431663 168398969 /nfs/dbraw/zinc/39/89/69/168398969.db2.gz NJLKNGMWKKJMQB-MRVPVSSYSA-N 0 0 242.313 3.784 10 0 BHAERN Cc1cccc(N)c1NC(=O)C[C@@H](C)C(C)(C)C ZINC000104432689 179120448 /nfs/dbraw/zinc/12/04/48/179120448.db2.gz GCSMBFPZSWKHGV-LLVKDONJSA-N 0 0 248.370 3.588 10 0 BHAERN Cc1cccc(N)c1NC(=O)C[C@H](C)C(C)(C)C ZINC000104432692 179121108 /nfs/dbraw/zinc/12/11/08/179121108.db2.gz GCSMBFPZSWKHGV-NSHDSACASA-N 0 0 248.370 3.588 10 0 BHAERN Cc1ccccc1C[C@H](O)C[C@@H](C)C(C)(C)C ZINC000104434243 179291867 /nfs/dbraw/zinc/29/18/67/179291867.db2.gz YFDVJROHFCTFMF-UKRRQHHQSA-N 0 0 234.383 3.971 10 0 BHAERN Cc1ccccc1C[C@@H](O)C[C@@H](C)C(C)(C)C ZINC000104434246 179289997 /nfs/dbraw/zinc/28/99/97/179289997.db2.gz YFDVJROHFCTFMF-HIFRSBDPSA-N 0 0 234.383 3.971 10 0 BHAERN Cc1ccccc1C[C@H](O)C[C@H](C)C(C)(C)C ZINC000104434250 179292292 /nfs/dbraw/zinc/29/22/92/179292292.db2.gz YFDVJROHFCTFMF-DZGCQCFKSA-N 0 0 234.383 3.971 10 0 BHAERN Cc1ccccc1C[C@@H](O)C[C@H](C)C(C)(C)C ZINC000104434256 179289485 /nfs/dbraw/zinc/28/94/85/179289485.db2.gz YFDVJROHFCTFMF-ZFWWWQNUSA-N 0 0 234.383 3.971 10 0 BHAERN Cc1cccc(C[C@H](O)C[C@@H](C)C(C)(C)C)c1 ZINC000104434259 179106046 /nfs/dbraw/zinc/10/60/46/179106046.db2.gz FXBZJCARCWXHIC-UKRRQHHQSA-N 0 0 234.383 3.971 10 0 BHAERN Cc1cccc(C[C@@H](O)C[C@@H](C)C(C)(C)C)c1 ZINC000104434264 179104707 /nfs/dbraw/zinc/10/47/07/179104707.db2.gz FXBZJCARCWXHIC-HIFRSBDPSA-N 0 0 234.383 3.971 10 0 BHAERN Cc1cccc(C[C@H](O)C[C@H](C)C(C)(C)C)c1 ZINC000104434266 179105631 /nfs/dbraw/zinc/10/56/31/179105631.db2.gz FXBZJCARCWXHIC-DZGCQCFKSA-N 0 0 234.383 3.971 10 0 BHAERN Cc1cccc(C[C@@H](O)C[C@H](C)C(C)(C)C)c1 ZINC000104434270 179104381 /nfs/dbraw/zinc/10/43/81/179104381.db2.gz FXBZJCARCWXHIC-ZFWWWQNUSA-N 0 0 234.383 3.971 10 0 BHAERN Cc1cc(NC(=O)C[C@@H](C)C(C)(C)C)ccc1N ZINC000104435516 178132659 /nfs/dbraw/zinc/13/26/59/178132659.db2.gz CCMIJFBSQFDOEJ-LLVKDONJSA-N 0 0 248.370 3.588 10 0 BHAERN Cc1cc(NC(=O)C[C@H](C)C(C)(C)C)ccc1N ZINC000104435521 178134049 /nfs/dbraw/zinc/13/40/49/178134049.db2.gz CCMIJFBSQFDOEJ-NSHDSACASA-N 0 0 248.370 3.588 10 0 BHAERN C[C@@H](Cc1nc2ccc(N)cc2o1)C(C)(C)C ZINC000104440434 175777440 /nfs/dbraw/zinc/77/74/40/175777440.db2.gz RCLRCKIVUOFNAU-VIFPVBQESA-N 0 0 232.327 3.635 10 0 BHAERN CCC(CC)[C@@H](C)Nc1cnnc2ccccc21 ZINC000104440876 168399545 /nfs/dbraw/zinc/39/95/45/168399545.db2.gz GLKIUEBFLGUVJK-LLVKDONJSA-N 0 0 243.354 3.866 10 0 BHAERN Cc1cc(NCC2(C)CCCC2)nc(C(C)C)n1 ZINC000104448596 178157067 /nfs/dbraw/zinc/15/70/67/178157067.db2.gz OIGTZWOJBYPRMX-UHFFFAOYSA-N 0 0 247.386 3.901 10 0 BHAERN FC1(F)CCCc2ccc(Br)cc21 ZINC000104737430 180918131 /nfs/dbraw/zinc/91/81/31/180918131.db2.gz VFOHNKUURSZHSC-UHFFFAOYSA-N 0 0 247.082 3.877 10 0 BHAERN FC1(F)c2ccccc2-c2ccccc21 ZINC000104836678 385567764 /nfs/dbraw/zinc/56/77/64/385567764.db2.gz PHQREJCPVUZOGR-UHFFFAOYSA-N 0 0 202.203 3.807 10 0 BHAERN C[C@@H]1CCCC[C@]1(O)CC=C(Cl)Cl ZINC000104836906 176091142 /nfs/dbraw/zinc/09/11/42/176091142.db2.gz LDFYOVLDGGPAGS-SCZZXKLOSA-N 0 0 223.143 3.637 10 0 BHAERN C[C@H]1CCCC[C@]1(O)CC=C(Cl)Cl ZINC000104836908 177090229 /nfs/dbraw/zinc/09/02/29/177090229.db2.gz LDFYOVLDGGPAGS-WPRPVWTQSA-N 0 0 223.143 3.637 10 0 BHAERN C[C@@H]1CCCC[C@@]1(O)CC=C(Cl)Cl ZINC000104836912 176083236 /nfs/dbraw/zinc/08/32/36/176083236.db2.gz LDFYOVLDGGPAGS-PSASIEDQSA-N 0 0 223.143 3.637 10 0 BHAERN C[C@H]1CCCC[C@@]1(O)CC=C(Cl)Cl ZINC000104836914 177085267 /nfs/dbraw/zinc/08/52/67/177085267.db2.gz LDFYOVLDGGPAGS-WCBMZHEXSA-N 0 0 223.143 3.637 10 0 BHAERN C/C(Cl)=C/CC[C@@H]1CCCC[C@@]1(C)O ZINC000104836925 191066681 /nfs/dbraw/zinc/06/66/81/191066681.db2.gz PNYWIPHABGWUMS-RPGNDLBOSA-N 0 0 216.752 3.850 10 0 BHAERN C/C(Cl)=C/CC[C@H]1CCCC[C@@]1(C)O ZINC000104836928 191066012 /nfs/dbraw/zinc/06/60/12/191066012.db2.gz PNYWIPHABGWUMS-CIYHXPSUSA-N 0 0 216.752 3.850 10 0 BHAERN C/C(Cl)=C/CC[C@@H]1CCCC[C@]1(C)O ZINC000104836931 191066374 /nfs/dbraw/zinc/06/63/74/191066374.db2.gz PNYWIPHABGWUMS-AUSWNFFYSA-N 0 0 216.752 3.850 10 0 BHAERN C/C(Cl)=C/CC[C@H]1CCCC[C@]1(C)O ZINC000104836932 191066832 /nfs/dbraw/zinc/06/68/32/191066832.db2.gz PNYWIPHABGWUMS-LIPIYFLUSA-N 0 0 216.752 3.850 10 0 BHAERN FC(F)(Br)C=C1CCCCC1 ZINC000104837317 180877852 /nfs/dbraw/zinc/87/78/52/180877852.db2.gz BMJBDFFXAONXAP-UHFFFAOYSA-N 0 0 225.076 3.865 10 0 BHAERN C/C(Br)=C/C1CCCCC1 ZINC000104837475 191066041 /nfs/dbraw/zinc/06/60/41/191066041.db2.gz KILYMQAZADCSRN-FPLPWBNLSA-N 0 0 203.123 3.865 10 0 BHAERN I/C=C/C1CCCCC1 ZINC000104838844 191066514 /nfs/dbraw/zinc/06/65/14/191066514.db2.gz ZXSSDGGNCWCSHX-VOTSOKGWSA-N 0 0 236.096 3.515 10 0 BHAERN CC(C)(C)[C@@H]1CC[C@H](O)[C@H](C(C)(C)C)C1 ZINC000104839991 368339639 /nfs/dbraw/zinc/33/96/39/368339639.db2.gz CBQDYDCHZZWCRJ-UTUOFQBUSA-N 0 0 212.377 3.856 10 0 BHAERN CC(C)(C)[C@@H]1CC[C@@H](O)[C@H](C(C)(C)C)C1 ZINC000104840001 368340196 /nfs/dbraw/zinc/34/01/96/368340196.db2.gz CBQDYDCHZZWCRJ-IJLUTSLNSA-N 0 0 212.377 3.856 10 0 BHAERN O=C(Sc1ccccc1)C1CCCCC1 ZINC000104840277 182611640 /nfs/dbraw/zinc/61/16/40/182611640.db2.gz YDDAIPNDFFZIAR-UHFFFAOYSA-N 0 0 220.337 3.886 10 0 BHAERN O[C@]1(c2ccccc2)CC[C@@H]2CCCC[C@H]2C1 ZINC000105366735 368424135 /nfs/dbraw/zinc/42/41/35/368424135.db2.gz PPSGLPCYJYHBFE-OFQRWUPVSA-N 0 0 230.351 3.865 10 0 BHAERN Cc1cc(-c2ccc(C)cc2)c(N)s1 ZINC000105554742 178319774 /nfs/dbraw/zinc/31/97/74/178319774.db2.gz JJVJRYWTZGXVMY-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN CCc1cc(C2CCCCC2)c(N)s1 ZINC000105555603 171757373 /nfs/dbraw/zinc/75/73/73/171757373.db2.gz XTWGZRWRCLNPAN-UHFFFAOYSA-N 0 0 209.358 3.940 10 0 BHAERN C/C=C/C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000105584850 592702954 /nfs/dbraw/zinc/70/29/54/592702954.db2.gz CIACFZMCEGMJDW-FYJFLYSWSA-N 0 0 231.339 3.563 10 0 BHAERN C/C=C/C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000105584853 592702666 /nfs/dbraw/zinc/70/26/66/592702666.db2.gz CIACFZMCEGMJDW-BTDICHCPSA-N 0 0 231.339 3.563 10 0 BHAERN CC1(c2cccc(Br)c2)CC1 ZINC000105638722 582799085 /nfs/dbraw/zinc/79/90/85/582799085.db2.gz VAMAOSCSYXXKTB-UHFFFAOYSA-N 0 0 211.102 3.501 10 0 BHAERN Cc1sc(N)cc1-c1ccc(C)cc1 ZINC000105681359 178321214 /nfs/dbraw/zinc/32/12/14/178321214.db2.gz QUBBVSUUBBMIGW-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1cnc(C)c(N[C@H](C)c2ccccc2C)n1 ZINC000105999302 387021591 /nfs/dbraw/zinc/02/15/91/387021591.db2.gz NDRDRVWKXOAZSC-GFCCVEGCSA-N 0 0 241.338 3.575 10 0 BHAERN Cc1cnc(C)c(N[C@@H](C)c2ccccc2C)n1 ZINC000105999304 387021661 /nfs/dbraw/zinc/02/16/61/387021661.db2.gz NDRDRVWKXOAZSC-LBPRGKRZSA-N 0 0 241.338 3.575 10 0 BHAERN CCOC(=O)/C=C/c1cc(Cl)ccc1Cl ZINC000106142423 369089617 /nfs/dbraw/zinc/08/96/17/369089617.db2.gz NQLPORJKDOHECO-ZZXKWVIFSA-N 0 0 245.105 3.570 10 0 BHAERN Cc1c(Cl)ccc(C(=O)C(F)(F)F)c1F ZINC000106363774 177596353 /nfs/dbraw/zinc/59/63/53/177596353.db2.gz YMNDOEIJLFIKHJ-UHFFFAOYSA-N 0 0 240.583 3.533 10 0 BHAERN CCCCCC/C(C)=C(/C)C(=O)OCC ZINC000106377991 168644176 /nfs/dbraw/zinc/64/41/76/168644176.db2.gz CNCNQZHKLDLKTF-QXMHVHEDSA-N 0 0 212.333 3.856 10 0 BHAERN CCn1ccnc1CSCc1ccccc1C ZINC000106587000 172226486 /nfs/dbraw/zinc/22/64/86/172226486.db2.gz JNRBHMHUTJVIEG-UHFFFAOYSA-N 0 0 246.379 3.645 10 0 BHAERN CCn1ccnc1CSc1ccccc1C ZINC000106588356 172225917 /nfs/dbraw/zinc/22/59/17/172225917.db2.gz ZUXIWCKXTATXRF-UHFFFAOYSA-N 0 0 232.352 3.504 10 0 BHAERN CCn1ccnc1CSc1cccc(C)c1 ZINC000106588393 172225999 /nfs/dbraw/zinc/22/59/99/172225999.db2.gz PAKDZBCVJUBLKU-UHFFFAOYSA-N 0 0 232.352 3.504 10 0 BHAERN Cc1ccc([C@@H](C)NC(=O)CC2=CCCCC2)o1 ZINC000106741665 178834321 /nfs/dbraw/zinc/83/43/21/178834321.db2.gz KBWMOZCYPCUONB-GFCCVEGCSA-N 0 0 247.338 3.656 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)CC2=CCCCC2)o1 ZINC000106741668 384929386 /nfs/dbraw/zinc/92/93/86/384929386.db2.gz KBWMOZCYPCUONB-LBPRGKRZSA-N 0 0 247.338 3.656 10 0 BHAERN Clc1ccc(NC2CC2)cc1Cl ZINC000106880170 369209507 /nfs/dbraw/zinc/20/95/07/369209507.db2.gz KOJUYTMNPQKYLF-UHFFFAOYSA-N 0 0 202.084 3.568 10 0 BHAERN Nc1cc(C2CCCC2)c(Br)s1 ZINC000106991478 181681880 /nfs/dbraw/zinc/68/18/80/181681880.db2.gz WLTCIBLIIDUFBU-UHFFFAOYSA-N 0 0 246.173 3.750 10 0 BHAERN CC(C)n1ccnc1CSCc1ccccc1 ZINC000107077355 384949054 /nfs/dbraw/zinc/94/90/54/384949054.db2.gz WDCLKHUEYBSVOQ-UHFFFAOYSA-N 0 0 246.379 3.897 10 0 BHAERN Cc1coc2c1cccc2Br ZINC000107151350 259534821 /nfs/dbraw/zinc/53/48/21/259534821.db2.gz JCZABZXVCLDXNU-UHFFFAOYSA-N 0 0 211.058 3.504 10 0 BHAERN O=Cc1ccc(C2CCCCCC2)cc1 ZINC000107192074 343755138 /nfs/dbraw/zinc/75/51/38/343755138.db2.gz FQTKOAWLIILFCD-UHFFFAOYSA-N 0 0 202.297 3.937 10 0 BHAERN Cc1ccc2c(c1)nc(Cl)n2C(C)C ZINC000107207626 369339233 /nfs/dbraw/zinc/33/92/33/369339233.db2.gz SMUXCDKMMJFIIH-UHFFFAOYSA-N 0 0 208.692 3.579 10 0 BHAERN CC(C)(F)Cc1ccc(Br)cc1 ZINC000107271998 350373587 /nfs/dbraw/zinc/37/35/87/350373587.db2.gz WGLGPRMIKNSMPS-UHFFFAOYSA-N 0 0 231.108 3.740 10 0 BHAERN C[C@H](O)c1c[nH]c2ccc(C(C)(C)C)cc21 ZINC000107688709 411162362 /nfs/dbraw/zinc/16/23/62/411162362.db2.gz KZCOGPHFWSLQCD-VIFPVBQESA-N 0 0 217.312 3.519 10 0 BHAERN C[C@@H](O)c1c[nH]c2ccc(C(C)(C)C)cc21 ZINC000107688713 411163180 /nfs/dbraw/zinc/16/31/80/411163180.db2.gz KZCOGPHFWSLQCD-SECBINFHSA-N 0 0 217.312 3.519 10 0 BHAERN CCC[C@@H]1CNc2ccc(Br)cc21 ZINC000107784423 323942116 /nfs/dbraw/zinc/94/21/16/323942116.db2.gz KMMZZLYDFTXCHE-MRVPVSSYSA-N 0 0 240.144 3.758 10 0 BHAERN CCC[C@H]1CNc2ccc(Br)cc21 ZINC000107784427 387155487 /nfs/dbraw/zinc/15/54/87/387155487.db2.gz KMMZZLYDFTXCHE-QMMMGPOBSA-N 0 0 240.144 3.758 10 0 BHAERN CCCC(=O)c1cc(F)ccc1Br ZINC000107997772 368538613 /nfs/dbraw/zinc/53/86/13/368538613.db2.gz ZKPUXBDULANXGE-UHFFFAOYSA-N 0 0 245.091 3.571 10 0 BHAERN CC(C)Oc1ccc(-c2cscn2)cc1 ZINC000108238106 487793388 /nfs/dbraw/zinc/79/33/88/487793388.db2.gz FBJGXUXVVVTVPV-UHFFFAOYSA-N 0 0 219.309 3.597 10 0 BHAERN Cc1cc2ccc(Br)cc2o1 ZINC000108274469 178295298 /nfs/dbraw/zinc/29/52/98/178295298.db2.gz PWOHOSNFQJPKEX-UHFFFAOYSA-N 0 0 211.058 3.504 10 0 BHAERN Nc1ccc2nc(/C=C/c3ccccc3)oc2c1 ZINC000108509472 388036807 /nfs/dbraw/zinc/03/68/07/388036807.db2.gz ZWHANKUEEOYGPM-RMKNXTFCSA-N 0 0 236.274 3.580 10 0 BHAERN Cc1ccc(N)cc1-c1ccc2c(c1)C[C@H](C)O2 ZINC000109436855 582812449 /nfs/dbraw/zinc/81/24/49/582812449.db2.gz BZRULURWGHTALU-NSHDSACASA-N 0 0 239.318 3.568 10 0 BHAERN Cc1ccc(N)cc1-c1ccc2c(c1)C[C@@H](C)O2 ZINC000109436857 582812272 /nfs/dbraw/zinc/81/22/72/582812272.db2.gz BZRULURWGHTALU-LLVKDONJSA-N 0 0 239.318 3.568 10 0 BHAERN CCNc1cc(C2CC2)nc(-c2cccs2)n1 ZINC000109526943 170172383 /nfs/dbraw/zinc/17/23/83/170172383.db2.gz VXMLWSDBFMPSAT-UHFFFAOYSA-N 0 0 245.351 3.514 10 0 BHAERN c1csc(Cc2nc(C3CCCCC3)no2)c1 ZINC000109530050 369492193 /nfs/dbraw/zinc/49/21/93/369492193.db2.gz YLPYFHIBTLSYGX-UHFFFAOYSA-N 0 0 248.351 3.770 10 0 BHAERN Cc1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000109613933 344531596 /nfs/dbraw/zinc/53/15/96/344531596.db2.gz YCZRMVGPGSFTAI-UHFFFAOYSA-N 0 0 236.274 3.712 10 0 BHAERN CCCc1ccc(O)c(C(=O)c2ccccc2)c1 ZINC000110161604 588620681 /nfs/dbraw/zinc/62/06/81/588620681.db2.gz KOFBTLHXBSQDBI-UHFFFAOYSA-N 0 0 240.302 3.576 10 0 BHAERN CCOc1ccccc1[C@@H](C)Nc1nccs1 ZINC000110363187 588658557 /nfs/dbraw/zinc/65/85/57/588658557.db2.gz YGFJEHQWHPCKIJ-SNVBAGLBSA-N 0 0 248.351 3.715 10 0 BHAERN CCOc1ccccc1[C@H](C)Nc1nccs1 ZINC000110363191 588658669 /nfs/dbraw/zinc/65/86/69/588658669.db2.gz YGFJEHQWHPCKIJ-JTQLQIEISA-N 0 0 248.351 3.715 10 0 BHAERN CCCNc1nc(CCC(C)C)nc(C)c1CC ZINC000110464382 169295772 /nfs/dbraw/zinc/29/57/72/169295772.db2.gz YDCUARTXGXOWKO-UHFFFAOYSA-N 0 0 249.402 3.758 10 0 BHAERN O=[PH](Nc1ccccc1)Nc1ccccc1 ZINC000110507907 368762273 /nfs/dbraw/zinc/76/22/73/368762273.db2.gz QUXAPACPSCALAA-UHFFFAOYSA-N 0 0 232.223 3.600 10 0 BHAERN CCCNc1nc(C(C)C)nc2sc(C)cc21 ZINC000110777028 169295994 /nfs/dbraw/zinc/29/59/94/169295994.db2.gz XZPQROGMGCZBRT-UHFFFAOYSA-N 0 0 249.383 3.945 10 0 BHAERN CCCNc1nc(CCC)nc2sc(C)cc21 ZINC000110777031 169295542 /nfs/dbraw/zinc/29/55/42/169295542.db2.gz GEITXFXAJKNIMG-UHFFFAOYSA-N 0 0 249.383 3.774 10 0 BHAERN CSc1ccccc1Oc1ccc(F)cc1N ZINC000110979473 368845454 /nfs/dbraw/zinc/84/54/54/368845454.db2.gz LUCWAENMKWIABG-UHFFFAOYSA-N 0 0 249.310 3.922 10 0 BHAERN CSc1ccccc1Oc1cc(F)ccc1N ZINC000110979505 368844823 /nfs/dbraw/zinc/84/48/23/368844823.db2.gz GJPYWVKPBMAINL-UHFFFAOYSA-N 0 0 249.310 3.922 10 0 BHAERN COc1cc(NCC2CCC(C)CC2)ccc1N ZINC000111056336 588718617 /nfs/dbraw/zinc/71/86/17/588718617.db2.gz QZOMZFNSZZZQCW-UHFFFAOYSA-N 0 0 248.370 3.516 10 0 BHAERN Nc1cccc2[nH]c(-c3cc4ccccc4o3)nc21 ZINC000111128773 386992109 /nfs/dbraw/zinc/99/21/09/386992109.db2.gz GRDGAJKBPPIPIW-UHFFFAOYSA-N 0 0 249.273 3.558 10 0 BHAERN CCCNc1nc(C2CC2)nc2sc(C)cc21 ZINC000111237540 169296113 /nfs/dbraw/zinc/29/61/13/169296113.db2.gz IIFCTZYWZPELHX-UHFFFAOYSA-N 0 0 247.367 3.699 10 0 BHAERN Nc1ccc(OCc2ccccc2)c(C(F)F)c1 ZINC000111292371 588741425 /nfs/dbraw/zinc/74/14/25/588741425.db2.gz AMACAXGSVSPAEH-UHFFFAOYSA-N 0 0 249.260 3.785 10 0 BHAERN CC(C)c1ccccc1NC[C@@H]1CCCOC1 ZINC000111317626 323158716 /nfs/dbraw/zinc/15/87/16/323158716.db2.gz AZEHHFSQKHACFW-ZDUSSCGKSA-N 0 0 233.355 3.649 10 0 BHAERN CC(C)c1ccccc1NC[C@H]1CCCOC1 ZINC000111317628 323158712 /nfs/dbraw/zinc/15/87/12/323158712.db2.gz AZEHHFSQKHACFW-CYBMUJFWSA-N 0 0 233.355 3.649 10 0 BHAERN FC(F)(F)C(Cl)(Cl)c1ccccc1 ZINC000111338873 383856438 /nfs/dbraw/zinc/85/64/38/383856438.db2.gz VCGJIIDFWDVVQE-UHFFFAOYSA-N 0 0 229.028 3.879 10 0 BHAERN Cc1ccccc1C(Cl)(Cl)Cl ZINC000111391941 179254812 /nfs/dbraw/zinc/25/48/12/179254812.db2.gz CBXDCGQZMAUIHD-UHFFFAOYSA-N 0 0 209.503 3.822 10 0 BHAERN CCC(=O)C/C=C/[C@@H]1CC=C(C)C1(C)C ZINC000111412344 168196615 /nfs/dbraw/zinc/19/66/15/168196615.db2.gz YZZSBPWKVIUTHA-NNNHXZLVSA-N 0 0 206.329 3.904 10 0 BHAERN CC(C)=CCn1ccc2cc(F)ccc21 ZINC000111684186 368860789 /nfs/dbraw/zinc/86/07/89/368860789.db2.gz IEOYSYHAQUDMQV-UHFFFAOYSA-N 0 0 203.260 3.747 10 0 BHAERN O[C@H]1CCCC[C@H]1Cc1csc2ccccc12 ZINC000111727739 183233169 /nfs/dbraw/zinc/23/31/69/183233169.db2.gz QVDDNOAGGWZHIV-FZMZJTMJSA-N 0 0 246.375 3.995 10 0 BHAERN O[C@H]1CCCC[C@@H]1Cc1csc2ccccc12 ZINC000111727740 183231059 /nfs/dbraw/zinc/23/10/59/183231059.db2.gz QVDDNOAGGWZHIV-RISCZKNCSA-N 0 0 246.375 3.995 10 0 BHAERN O[C@@H]1CCCC[C@H]1Cc1csc2ccccc12 ZINC000111727742 183190039 /nfs/dbraw/zinc/19/00/39/183190039.db2.gz QVDDNOAGGWZHIV-SMDDNHRTSA-N 0 0 246.375 3.995 10 0 BHAERN O[C@@H]1CCCC[C@@H]1Cc1csc2ccccc12 ZINC000111727744 183188539 /nfs/dbraw/zinc/18/85/39/183188539.db2.gz QVDDNOAGGWZHIV-BXUZGUMPSA-N 0 0 246.375 3.995 10 0 BHAERN Cc1ccncc1NCc1ccnc2ccccc12 ZINC000111754042 323163392 /nfs/dbraw/zinc/16/33/92/323163392.db2.gz KYUDOOWVQIDNIL-UHFFFAOYSA-N 0 0 249.317 3.550 10 0 BHAERN Cc1cccn2c(C=O)c(C3CCCCC3)nc12 ZINC000111850894 588772373 /nfs/dbraw/zinc/77/23/73/588772373.db2.gz NHUBESJKJTWIIX-UHFFFAOYSA-N 0 0 242.322 3.503 10 0 BHAERN C(=Cc1nc2ccccc2o1)Nc1ccccc1 ZINC000111933496 188098815 /nfs/dbraw/zinc/09/88/15/188098815.db2.gz XSZGLSKBVALKHY-ZHACJKMWSA-N 0 0 236.274 3.911 10 0 BHAERN c1ccc(CNc2snc3ccccc32)cc1 ZINC000112153859 368866839 /nfs/dbraw/zinc/86/68/39/368866839.db2.gz QNSCPEMCRJSTJR-UHFFFAOYSA-N 0 0 240.331 3.908 10 0 BHAERN Fc1cccc(C(F)F)c1C(F)(F)F ZINC000112731940 180995362 /nfs/dbraw/zinc/99/53/62/180995362.db2.gz WQFUTEVYYUJERC-UHFFFAOYSA-N 0 0 214.108 3.782 10 0 BHAERN Cc1cc(F)ccc1-c1ccccc1F ZINC000112733455 537822156 /nfs/dbraw/zinc/82/21/56/537822156.db2.gz GZGSVJLNFPJNBL-UHFFFAOYSA-N 0 0 204.219 3.940 10 0 BHAERN Cc1cc(F)ccc1-c1cccc(F)c1 ZINC000112733458 537823095 /nfs/dbraw/zinc/82/30/95/537823095.db2.gz MDJPUQMZAQYPAD-UHFFFAOYSA-N 0 0 204.219 3.940 10 0 BHAERN Cc1cc(F)ccc1-c1ccc(F)cc1 ZINC000112733460 537822174 /nfs/dbraw/zinc/82/21/74/537822174.db2.gz QLKOOJRJRTYUJV-UHFFFAOYSA-N 0 0 204.219 3.940 10 0 BHAERN Cc1ccc(-c2cccc(F)c2)c(F)c1 ZINC000112733498 588814789 /nfs/dbraw/zinc/81/47/89/588814789.db2.gz NYPVFQTWSMMFNF-UHFFFAOYSA-N 0 0 204.219 3.940 10 0 BHAERN Cc1ccc(-c2ccc(F)cc2)c(F)c1 ZINC000112733500 583562002 /nfs/dbraw/zinc/56/20/02/583562002.db2.gz JWQADTIMCDUBRY-UHFFFAOYSA-N 0 0 204.219 3.940 10 0 BHAERN Fc1cc(F)c(-c2ccccc2)c(F)c1F ZINC000112734851 180950792 /nfs/dbraw/zinc/95/07/92/180950792.db2.gz SKDWLRPVWTVSKZ-UHFFFAOYSA-N 0 0 226.172 3.910 10 0 BHAERN Fc1cc(F)c(F)c(-c2ccccc2)c1F ZINC000112734853 368874809 /nfs/dbraw/zinc/87/48/09/368874809.db2.gz LRKGVNRCLRPAPR-UHFFFAOYSA-N 0 0 226.172 3.910 10 0 BHAERN Fc1cc(F)c(-c2ccccc2)cc1F ZINC000112734860 368874940 /nfs/dbraw/zinc/87/49/40/368874940.db2.gz PQVCARJFWNYBJA-UHFFFAOYSA-N 0 0 208.182 3.771 10 0 BHAERN Fc1cc(F)c(-c2ccccc2)c(F)c1 ZINC000112734863 368874918 /nfs/dbraw/zinc/87/49/18/368874918.db2.gz XNAKKTLRTNNKAS-UHFFFAOYSA-N 0 0 208.182 3.771 10 0 BHAERN O[C@]12CCCC[C@@H]1CCC[C@H]2Nc1ccccc1 ZINC000112925622 345752642 /nfs/dbraw/zinc/75/26/42/345752642.db2.gz LHYUBQPGZGZSPP-FVQBIDKESA-N 0 0 245.366 3.572 10 0 BHAERN O=Cc1ccc(-c2ccc3occc3c2)cc1 ZINC000112928598 345753027 /nfs/dbraw/zinc/75/30/27/345753027.db2.gz UAIMJMLMPPJZHY-UHFFFAOYSA-N 0 0 222.243 3.912 10 0 BHAERN O=Cc1ccc(-c2ccc3ncsc3c2)cc1 ZINC000112935344 345753006 /nfs/dbraw/zinc/75/30/06/345753006.db2.gz RSWWNKJUWFSZFW-UHFFFAOYSA-N 0 0 239.299 3.776 10 0 BHAERN O=Cc1ccc(-c2ccc3cc[nH]c3c2)cc1 ZINC000112935661 345752416 /nfs/dbraw/zinc/75/24/16/345752416.db2.gz YIPNPELXFPGVAQ-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN O[C@@]12CCCC[C@@H]1CCC[C@@H]2Nc1ccccc1 ZINC000112936132 345752986 /nfs/dbraw/zinc/75/29/86/345752986.db2.gz LHYUBQPGZGZSPP-KBMXLJTQSA-N 0 0 245.366 3.572 10 0 BHAERN O[C@]12CCCC[C@@H]1CCC[C@@H]2Nc1ccccc1 ZINC000112936133 345752700 /nfs/dbraw/zinc/75/27/00/345752700.db2.gz LHYUBQPGZGZSPP-VNQPRFMTSA-N 0 0 245.366 3.572 10 0 BHAERN O[C@]12CCCC[C@H]1CCC[C@@H]2Nc1ccccc1 ZINC000112936137 345752457 /nfs/dbraw/zinc/75/24/57/345752457.db2.gz LHYUBQPGZGZSPP-CWRNSKLLSA-N 0 0 245.366 3.572 10 0 BHAERN COC(=O)/C(=C(/c1ccccc1)C(C)C)C(C)C ZINC000112953829 368339835 /nfs/dbraw/zinc/33/98/35/368339835.db2.gz PVWXTVUZGJXFJQ-CCEZHUSRSA-N 0 0 246.350 3.925 10 0 BHAERN c1nc2ccc(OCc3ccccc3)cc2s1 ZINC000112963768 345752782 /nfs/dbraw/zinc/75/27/82/345752782.db2.gz OALJVBZWCTVTGC-UHFFFAOYSA-N 0 0 241.315 3.875 10 0 BHAERN C1=CN(C2CCCCC2)CN1C1CCCCC1 ZINC000112978415 370368346 /nfs/dbraw/zinc/36/83/46/370368346.db2.gz YQZCSEVPKQVTQP-UHFFFAOYSA-N 0 0 234.387 3.698 10 0 BHAERN CSc1ccc(Cc2ccc(F)nc2)cc1 ZINC000113153663 346909603 /nfs/dbraw/zinc/90/96/03/346909603.db2.gz LDIJOMBXHURHLR-UHFFFAOYSA-N 0 0 233.311 3.533 10 0 BHAERN CC(C)=C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000113168847 345753609 /nfs/dbraw/zinc/75/36/09/345753609.db2.gz WLTGHDOBXDJSSX-UHFFFAOYSA-N 0 0 240.302 3.940 10 0 BHAERN Cc1c(O)ccc2c1O[C@H](c1ccccc1)CC2 ZINC000113211430 345753612 /nfs/dbraw/zinc/75/36/12/345753612.db2.gz DPJLQIOUHFJLAT-HNNXBMFYSA-N 0 0 240.302 3.767 10 0 BHAERN Cc1c(O)ccc2c1O[C@@H](c1ccccc1)CC2 ZINC000113211432 345753660 /nfs/dbraw/zinc/75/36/60/345753660.db2.gz DPJLQIOUHFJLAT-OAHLLOKOSA-N 0 0 240.302 3.767 10 0 BHAERN Cc1c(O)ccc(C/C=C/c2ccccc2)c1O ZINC000113211455 345753564 /nfs/dbraw/zinc/75/35/64/345753564.db2.gz CLTNDZDYLZIHQY-VMPITWQZSA-N 0 0 240.302 3.662 10 0 BHAERN CCc1ccc(Cc2n[nH]c3ccccc32)cc1 ZINC000113221039 345753640 /nfs/dbraw/zinc/75/36/40/345753640.db2.gz OYYCHKSCUZXBSW-UHFFFAOYSA-N 0 0 236.318 3.716 10 0 BHAERN CCOc1cccc(-c2cccs2)c1 ZINC000113221103 370389223 /nfs/dbraw/zinc/38/92/23/370389223.db2.gz LGZQONKICPXUTG-UHFFFAOYSA-N 0 0 204.294 3.814 10 0 BHAERN CCOC(=O)c1cc2ccc(CC)cc2s1 ZINC000113222239 345753541 /nfs/dbraw/zinc/75/35/41/345753541.db2.gz LPIVHRBCADOBRG-UHFFFAOYSA-N 0 0 234.320 3.640 10 0 BHAERN OP(OC1CCCCC1)OC1CCCCC1 ZINC000113231678 344658053 /nfs/dbraw/zinc/65/80/53/344658053.db2.gz HEGXHCKAUFQNPC-UHFFFAOYSA-N 0 0 246.287 3.904 10 0 BHAERN Cc1cc(O)c(F)c(C)c1-c1cccc(C=O)c1 ZINC000113305641 345753417 /nfs/dbraw/zinc/75/34/17/345753417.db2.gz DOSHFTAFBCJOQA-UHFFFAOYSA-N 0 0 244.265 3.628 10 0 BHAERN CC(=O)c1cc2cc(Cl)sc2nc1Cl ZINC000113383020 383980636 /nfs/dbraw/zinc/98/06/36/383980636.db2.gz QOOVKDLXTFKREQ-UHFFFAOYSA-N 0 0 246.118 3.806 10 0 BHAERN C[C@@H](O)c1cc2cc(Cl)sc2nc1Cl ZINC000113383077 383981544 /nfs/dbraw/zinc/98/15/44/383981544.db2.gz BEYJSVSBHUTNJR-SCSAIBSYSA-N 0 0 248.134 3.656 10 0 BHAERN C[C@H](O)c1cc2cc(Cl)sc2nc1Cl ZINC000113383416 177016552 /nfs/dbraw/zinc/01/65/52/177016552.db2.gz BEYJSVSBHUTNJR-BYPYZUCNSA-N 0 0 248.134 3.656 10 0 BHAERN CC/C=C/c1cccc(Br)c1 ZINC000113410448 368891676 /nfs/dbraw/zinc/89/16/76/368891676.db2.gz SVONSDANHPLSGH-HWKANZROSA-N 0 0 211.102 3.872 10 0 BHAERN CCc1ccc(Br)cc1Cl ZINC000113414646 323943842 /nfs/dbraw/zinc/94/38/42/323943842.db2.gz AASDBIISNAGHAU-UHFFFAOYSA-N 0 0 219.509 3.665 10 0 BHAERN CCc1ccc(Cl)cc1Br ZINC000113414674 322984188 /nfs/dbraw/zinc/98/41/88/322984188.db2.gz ZOMCSUDGLYCBJZ-UHFFFAOYSA-N 0 0 219.509 3.665 10 0 BHAERN CCc1ccc(SC(F)(F)F)cc1 ZINC000113414738 345753508 /nfs/dbraw/zinc/75/35/08/345753508.db2.gz RVIARYWMEZSQPI-UHFFFAOYSA-N 0 0 206.232 3.861 10 0 BHAERN COC(=O)c1ccc2cc(C(C)(C)C)ccc2c1 ZINC000113432127 345754580 /nfs/dbraw/zinc/75/45/80/345754580.db2.gz JNBQYIVJTNVYFD-UHFFFAOYSA-N 0 0 242.318 3.924 10 0 BHAERN COC(=O)c1ccc2cc(C3CC3)ccc2c1 ZINC000113433142 345754151 /nfs/dbraw/zinc/75/41/51/345754151.db2.gz QYNRWWPRMIHYOS-UHFFFAOYSA-N 0 0 226.275 3.504 10 0 BHAERN COC(=O)c1ccc2cc(C3(C)CC3)ccc2c1 ZINC000113433780 345754285 /nfs/dbraw/zinc/75/42/85/345754285.db2.gz JJWJJWGORVTSIH-UHFFFAOYSA-N 0 0 240.302 3.678 10 0 BHAERN CCCCCCCc1ccc(O)c(C=O)c1 ZINC000113530511 343120330 /nfs/dbraw/zinc/12/03/30/343120330.db2.gz FYUJLFRLDGSXBN-UHFFFAOYSA-N 0 0 220.312 3.718 10 0 BHAERN COc1cccc([C@@H]2CC(C)(C)CCC2=O)c1 ZINC000113557703 345754255 /nfs/dbraw/zinc/75/42/55/345754255.db2.gz FZDJPBFPMVHGSI-ZDUSSCGKSA-N 0 0 232.323 3.558 10 0 BHAERN COc1cccc([C@H]2CC(C)(C)CCC2=O)c1 ZINC000113557706 345754493 /nfs/dbraw/zinc/75/44/93/345754493.db2.gz FZDJPBFPMVHGSI-CYBMUJFWSA-N 0 0 232.323 3.558 10 0 BHAERN COc1cccc([C@@H]2CCC(C)(C)CC2=O)c1 ZINC000113562014 345754248 /nfs/dbraw/zinc/75/42/48/345754248.db2.gz UHBGMUQJAKBXAB-ZDUSSCGKSA-N 0 0 232.323 3.558 10 0 BHAERN COc1cccc([C@H]2CCC(C)(C)CC2=O)c1 ZINC000113562016 345754569 /nfs/dbraw/zinc/75/45/69/345754569.db2.gz UHBGMUQJAKBXAB-CYBMUJFWSA-N 0 0 232.323 3.558 10 0 BHAERN ClC(Cl)(Cl)Cc1ccccc1 ZINC000113574111 368341762 /nfs/dbraw/zinc/34/17/62/368341762.db2.gz XFEKIQFBJSDMQB-UHFFFAOYSA-N 0 0 209.503 3.599 10 0 BHAERN CCC(CC)C(=O)CCC(=O)C(CC)CC ZINC000113587950 345754183 /nfs/dbraw/zinc/75/41/83/345754183.db2.gz JVAZLLLBKIBOON-UHFFFAOYSA-N 0 0 226.360 3.777 10 0 BHAERN OCCCCC=C1C2CC3CC(C2)CC1C3 ZINC000113616912 345754266 /nfs/dbraw/zinc/75/42/66/345754266.db2.gz UUEWMXTVDXEIOR-UHFFFAOYSA-N 0 0 220.356 3.532 10 0 BHAERN CCCc1ccc2c(cccc2C(=O)OC)c1 ZINC000113627610 368899570 /nfs/dbraw/zinc/89/95/70/368899570.db2.gz RNZGKSSOFRSXPE-UHFFFAOYSA-N 0 0 228.291 3.579 10 0 BHAERN CCCCc1ccc2c(cccc2C(=O)OC)c1 ZINC000113627746 345754002 /nfs/dbraw/zinc/75/40/02/345754002.db2.gz LKEKGLSLLVIWQL-UHFFFAOYSA-N 0 0 242.318 3.969 10 0 BHAERN CCN(CC)c1ccc(Br)cc1C ZINC000113701708 370454976 /nfs/dbraw/zinc/45/49/76/370454976.db2.gz QJQJOXXMUPSHLL-UHFFFAOYSA-N 0 0 242.160 3.604 10 0 BHAERN Oc1ccccc1CCC1CCCCC1 ZINC000113711528 368903012 /nfs/dbraw/zinc/90/30/12/368903012.db2.gz HOJFCSFTGYXBFC-UHFFFAOYSA-N 0 0 204.313 3.905 10 0 BHAERN c1cc2cccc(-c3ccncc3)c2s1 ZINC000113717298 345754635 /nfs/dbraw/zinc/75/46/35/345754635.db2.gz IFYXCEYIPYBLSE-UHFFFAOYSA-N 0 0 211.289 3.963 10 0 BHAERN COC(=O)c1ccc(-c2ccccc2C)c(C)c1 ZINC000113768534 345755376 /nfs/dbraw/zinc/75/53/76/345755376.db2.gz UAHXWGUCKKMEMS-UHFFFAOYSA-N 0 0 240.302 3.757 10 0 BHAERN COc1c(C)cc(-c2ccccc2)cc1C ZINC000113772505 345754811 /nfs/dbraw/zinc/75/48/11/345754811.db2.gz YNTBGCBUFFREFE-UHFFFAOYSA-N 0 0 212.292 3.979 10 0 BHAERN Cc1ccc(-c2cccc(Cl)c2)cn1 ZINC000113799109 178326296 /nfs/dbraw/zinc/32/62/96/178326296.db2.gz GSHOIVWSGLFKAZ-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN Cc1cc(-c2ccc(Br)cc2)ccn1 ZINC000113819853 177682593 /nfs/dbraw/zinc/68/25/93/177682593.db2.gz GUIOMDLSRARPJR-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Clc1cc2oc3ccccc3c2cn1 ZINC000113841944 368909752 /nfs/dbraw/zinc/90/97/52/368909752.db2.gz PQFRLZATCAXERB-UHFFFAOYSA-N 0 0 203.628 3.634 10 0 BHAERN CCOC(=O)/C(C)=C/C1C2CC3CC(C2)CC1C3 ZINC000113859444 368909689 /nfs/dbraw/zinc/90/96/89/368909689.db2.gz FKWORDFVARPWNC-ONNFQVAWSA-N 0 0 248.366 3.568 10 0 BHAERN Clc1cc2c(cccc2Br)[nH]1 ZINC000113901194 370509403 /nfs/dbraw/zinc/50/94/03/370509403.db2.gz BKRXWVJGWFDPOO-UHFFFAOYSA-N 0 0 230.492 3.584 10 0 BHAERN C#CC(C)(C)Oc1ccc(Cl)c(Cl)c1 ZINC000113926660 345755337 /nfs/dbraw/zinc/75/53/37/345755337.db2.gz IGIORIPRIVAHQK-UHFFFAOYSA-N 0 0 229.106 3.784 10 0 BHAERN c1ccc(-c2cccc(-c3ccccn3)c2)nc1 ZINC000113977320 183379804 /nfs/dbraw/zinc/37/98/04/183379804.db2.gz ZXLQVVRBSAUVJB-UHFFFAOYSA-N 0 0 232.286 3.811 10 0 BHAERN O=Cc1ccc(-c2ccc(F)cc2)c(F)c1F ZINC000113982442 345755062 /nfs/dbraw/zinc/75/50/62/345755062.db2.gz VSMAIJIZWCMPTI-UHFFFAOYSA-N 0 0 236.192 3.583 10 0 BHAERN CNc1ccc2oc(-c3ccccc3)nc2c1 ZINC000113986493 173481474 /nfs/dbraw/zinc/48/14/74/173481474.db2.gz XMZYXESXSLSCMM-UHFFFAOYSA-N 0 0 224.263 3.537 10 0 BHAERN NC(=O)c1ccc(SC2CCCCCC2)cc1 ZINC000113986935 345755346 /nfs/dbraw/zinc/75/53/46/345755346.db2.gz XGFWMLHZSGGFIM-UHFFFAOYSA-N 0 0 249.379 3.600 10 0 BHAERN Nc1ccc(-c2cnccc2-c2ccccc2)cc1 ZINC000114026092 370539403 /nfs/dbraw/zinc/53/94/03/370539403.db2.gz QEAXWYAGMLCREX-UHFFFAOYSA-N 0 0 246.313 3.998 10 0 BHAERN CC(C)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000114039279 370540853 /nfs/dbraw/zinc/54/08/53/370540853.db2.gz GPMORISKRMLPFN-UHFFFAOYSA-N 0 0 236.315 3.552 10 0 BHAERN Clc1nnc(-c2ccccc2)c2c1CCCC2 ZINC000114139423 345755584 /nfs/dbraw/zinc/75/55/84/345755584.db2.gz XBWCNQUDKDEHSB-UHFFFAOYSA-N 0 0 244.725 3.676 10 0 BHAERN Clc1nnc(-c2ccccc2)c2ccoc21 ZINC000114140077 347352288 /nfs/dbraw/zinc/35/22/88/347352288.db2.gz DCRQQUDMVYYXNW-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN Cc1cscc1-c1ccccc1C=O ZINC000114215195 582614268 /nfs/dbraw/zinc/61/42/68/582614268.db2.gz HNUQUHXBKFGTHR-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN O=[N+]([O-])/C=C/C1(c2ccc(Cl)cc2)CCC1 ZINC000114241470 343678295 /nfs/dbraw/zinc/67/82/95/343678295.db2.gz YSNZBOJKYVZAHY-CMDGGOBGSA-N 0 0 237.686 3.552 10 0 BHAERN COc1ccccc1/C=C/c1ccc(O)cc1 ZINC000114278698 368932837 /nfs/dbraw/zinc/93/28/37/368932837.db2.gz ISSJAYCUTKFKNL-RMKNXTFCSA-N 0 0 226.275 3.571 10 0 BHAERN c1ccc2c(c1)Cc1c-2ncc2ccccc12 ZINC000114305364 345756520 /nfs/dbraw/zinc/75/65/20/345756520.db2.gz CVBPOLXDFLTAGK-UHFFFAOYSA-N 0 0 217.271 3.806 10 0 BHAERN O=Cc1cn(C2CC2)c2cccc(C3CC3)c12 ZINC000114359276 368341593 /nfs/dbraw/zinc/34/15/93/368341593.db2.gz NREHYFIHVADIEX-UHFFFAOYSA-N 0 0 225.291 3.666 10 0 BHAERN CC(C)c1cc(C=O)cc2c1OCCC2(C)C ZINC000114359765 344685644 /nfs/dbraw/zinc/68/56/44/344685644.db2.gz FXMXUTCYEHKESR-UHFFFAOYSA-N 0 0 232.323 3.683 10 0 BHAERN CC(C)(C)OC(=O)c1ccc(F)c(Cl)c1F ZINC000114379321 345756563 /nfs/dbraw/zinc/75/65/63/345756563.db2.gz UIYSBFFPAGFQSD-UHFFFAOYSA-N 0 0 248.656 3.574 10 0 BHAERN CC[C@@H](c1ncc[nH]1)c1cccc(C)c1C ZINC000114415086 368938538 /nfs/dbraw/zinc/93/85/38/368938538.db2.gz SECBLXWHNPOEFB-GFCCVEGCSA-N 0 0 214.312 3.568 10 0 BHAERN CC[C@H](c1ncc[nH]1)c1cccc(C)c1C ZINC000114415088 368938857 /nfs/dbraw/zinc/93/88/57/368938857.db2.gz SECBLXWHNPOEFB-LBPRGKRZSA-N 0 0 214.312 3.568 10 0 BHAERN CCCc1cccc([C@@H](C)c2ncc[nH]2)c1C ZINC000114418197 368939035 /nfs/dbraw/zinc/93/90/35/368939035.db2.gz SGSLILWHXFCHJR-GFCCVEGCSA-N 0 0 228.339 3.822 10 0 BHAERN CCCc1cccc([C@H](C)c2ncc[nH]2)c1C ZINC000114418199 368938844 /nfs/dbraw/zinc/93/88/44/368938844.db2.gz SGSLILWHXFCHJR-LBPRGKRZSA-N 0 0 228.339 3.822 10 0 BHAERN Cc1cccc([C@@H](C)c2ncc[nH]2)c1C(F)F ZINC000114419056 368938086 /nfs/dbraw/zinc/93/80/86/368938086.db2.gz YJAYIMVQFIIHBR-SECBINFHSA-N 0 0 236.265 3.808 10 0 BHAERN Cc1cccc([C@H](C)c2ncc[nH]2)c1C(F)F ZINC000114419058 368939077 /nfs/dbraw/zinc/93/90/77/368939077.db2.gz YJAYIMVQFIIHBR-VIFPVBQESA-N 0 0 236.265 3.808 10 0 BHAERN Clc1ccnc2cc(-c3cccnc3)oc21 ZINC000114456486 368341859 /nfs/dbraw/zinc/34/18/59/368341859.db2.gz PJGWANLBLFUBIF-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN Cc1noc(C)c1-c1cc2nccc(Cl)c2o1 ZINC000114458497 368341069 /nfs/dbraw/zinc/34/10/69/368341069.db2.gz RWTOBMJTALHXQA-UHFFFAOYSA-N 0 0 248.669 3.753 10 0 BHAERN Nc1ccccc1-c1cc2nccc(Cl)c2o1 ZINC000114458729 347352390 /nfs/dbraw/zinc/35/23/90/347352390.db2.gz QPJHCPNEXZJEOC-UHFFFAOYSA-N 0 0 244.681 3.730 10 0 BHAERN Nc1cccc(-c2cc3nccc(Cl)c3o2)c1 ZINC000114459086 344686979 /nfs/dbraw/zinc/68/69/79/344686979.db2.gz BRPYAQSXPQGIIH-UHFFFAOYSA-N 0 0 244.681 3.730 10 0 BHAERN C=CP(=O)(OCCCC)OCCCC ZINC000114571794 344319507 /nfs/dbraw/zinc/31/95/07/344319507.db2.gz WAHXDGYCAZAQPZ-UHFFFAOYSA-N 0 0 220.249 3.956 10 0 BHAERN Cc1ccc2nc(C(C)(C)C)sc2c1 ZINC000114616385 344424395 /nfs/dbraw/zinc/42/43/95/344424395.db2.gz SDINOBASJMDKEU-UHFFFAOYSA-N 0 0 205.326 3.902 10 0 BHAERN CC[C@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@@]21C ZINC000114642703 344486603 /nfs/dbraw/zinc/48/66/03/344486603.db2.gz BHSFAGUCNBKOPP-KZVDOYCCSA-N 0 0 208.345 3.818 10 0 BHAERN CC(C)n1ccc2c1cccc2Br ZINC000114705777 368343472 /nfs/dbraw/zinc/34/34/72/368343472.db2.gz NMLKXJOFCXXWRD-UHFFFAOYSA-N 0 0 238.128 3.985 10 0 BHAERN Fc1cc(F)cc(/C=C/C(F)(F)F)c1 ZINC000114714075 368949203 /nfs/dbraw/zinc/94/92/03/368949203.db2.gz OUERNPGYCPXORW-OWOJBTEDSA-N 0 0 208.129 3.540 10 0 BHAERN Oc1ccc(C2(c3ccc(O)cc3)CCC2)cc1 ZINC000114740194 368949844 /nfs/dbraw/zinc/94/98/44/368949844.db2.gz LWIUFSDTCSWJLN-UHFFFAOYSA-N 0 0 240.302 3.568 10 0 BHAERN Clc1ccc(C(Cl)Cl)s1 ZINC000114810533 368954102 /nfs/dbraw/zinc/95/41/02/368954102.db2.gz CUWYICLABBTULG-UHFFFAOYSA-N 0 0 201.505 3.878 10 0 BHAERN Cc1cc(C)c(SCC(F)(F)F)cc1N ZINC000114839151 368955498 /nfs/dbraw/zinc/95/54/98/368955498.db2.gz MBCYCXFELKLSSD-UHFFFAOYSA-N 0 0 235.274 3.540 10 0 BHAERN CO[C@@H]1C[C@H](c2ccccc2)Nc2ccccc21 ZINC000114876677 368956775 /nfs/dbraw/zinc/95/67/75/368956775.db2.gz XLBQVAQDNWMICV-HZPDHXFCSA-N 0 0 239.318 3.931 10 0 BHAERN CO[C@H]1C[C@H](c2ccccc2)Nc2ccccc21 ZINC000114876679 368956491 /nfs/dbraw/zinc/95/64/91/368956491.db2.gz XLBQVAQDNWMICV-CVEARBPZSA-N 0 0 239.318 3.931 10 0 BHAERN CO[C@@H]1C[C@@H](c2ccccc2)Nc2ccccc21 ZINC000114876681 368956376 /nfs/dbraw/zinc/95/63/76/368956376.db2.gz XLBQVAQDNWMICV-JKSUJKDBSA-N 0 0 239.318 3.931 10 0 BHAERN CO[C@H]1C[C@@H](c2ccccc2)Nc2ccccc21 ZINC000114876682 368956930 /nfs/dbraw/zinc/95/69/30/368956930.db2.gz XLBQVAQDNWMICV-HOTGVXAUSA-N 0 0 239.318 3.931 10 0 BHAERN CO[C@@H]1C[C@H](c2ccco2)Nc2ccccc21 ZINC000114877698 368956657 /nfs/dbraw/zinc/95/66/57/368956657.db2.gz YIPISGGSGUALOT-TZMCWYRMSA-N 0 0 229.279 3.524 10 0 BHAERN CO[C@H]1C[C@H](c2ccco2)Nc2ccccc21 ZINC000114877700 368956857 /nfs/dbraw/zinc/95/68/57/368956857.db2.gz YIPISGGSGUALOT-OCCSQVGLSA-N 0 0 229.279 3.524 10 0 BHAERN CO[C@@H]1C[C@@H](c2ccco2)Nc2ccccc21 ZINC000114877702 368956388 /nfs/dbraw/zinc/95/63/88/368956388.db2.gz YIPISGGSGUALOT-GXTWGEPZSA-N 0 0 229.279 3.524 10 0 BHAERN CO[C@H]1C[C@@H](c2ccco2)Nc2ccccc21 ZINC000114877704 368956724 /nfs/dbraw/zinc/95/67/24/368956724.db2.gz YIPISGGSGUALOT-JSGCOSHPSA-N 0 0 229.279 3.524 10 0 BHAERN C=Cc1cccc2cccc(C(=O)OCC)c12 ZINC000114910217 345801704 /nfs/dbraw/zinc/80/17/04/345801704.db2.gz KMHSQWHKAPVZHE-UHFFFAOYSA-N 0 0 226.275 3.660 10 0 BHAERN CCOC(=O)c1cccc2cccc(CC)c21 ZINC000114912129 368957564 /nfs/dbraw/zinc/95/75/64/368957564.db2.gz VZRPGMGCHDTZNP-UHFFFAOYSA-N 0 0 228.291 3.579 10 0 BHAERN CCc1cccc2cccc(Cc3ncc[nH]3)c21 ZINC000114912201 368957616 /nfs/dbraw/zinc/95/76/16/368957616.db2.gz QDWPCKIJQQLTJA-UHFFFAOYSA-N 0 0 236.318 3.716 10 0 BHAERN CC(C)Cc1cccc(CC(C)C)c1C=O ZINC000114912341 368957645 /nfs/dbraw/zinc/95/76/45/368957645.db2.gz QPMNEDDAQHYHQM-UHFFFAOYSA-N 0 0 218.340 3.896 10 0 BHAERN Cc1c(C)c(C)c(Cc2ncc[nH]2)c(C)c1C ZINC000114912482 368957908 /nfs/dbraw/zinc/95/79/08/368957908.db2.gz GPWGJRLBEOVYDF-UHFFFAOYSA-N 0 0 228.339 3.543 10 0 BHAERN CCc1ccc(Cl)c(CC)c1Cc1ncc[nH]1 ZINC000114913675 368957807 /nfs/dbraw/zinc/95/78/07/368957807.db2.gz DAUIGXKYWGLAFP-UHFFFAOYSA-N 0 0 248.757 3.779 10 0 BHAERN O=Cc1ccc(C=O)c2cc3ccccc3cc12 ZINC000114969560 368965033 /nfs/dbraw/zinc/96/50/33/368965033.db2.gz ZVEIMOAZWKSSKF-UHFFFAOYSA-N 0 0 234.254 3.618 10 0 BHAERN N#Cc1ccc(-c2coc(-c3ccccc3)n2)cc1 ZINC000115010062 347354483 /nfs/dbraw/zinc/35/44/83/347354483.db2.gz DLZBASAAKFLHNH-UHFFFAOYSA-N 0 0 246.269 3.880 10 0 BHAERN Cc1cc(-c2ccc(C)cc2)sc1C=O ZINC000115055320 368972080 /nfs/dbraw/zinc/97/20/80/368972080.db2.gz VAGUZURMEWSZQI-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN COC(=O)C1(c2cccs2)CCCCCC1 ZINC000115092335 346398442 /nfs/dbraw/zinc/39/84/42/346398442.db2.gz GUTAHYYMQSYKBB-UHFFFAOYSA-N 0 0 238.352 3.513 10 0 BHAERN OC1(c2ccccc2)CCCCCCC1 ZINC000115095973 368973424 /nfs/dbraw/zinc/97/34/24/368973424.db2.gz OHGPSYGBMRHHJP-UHFFFAOYSA-N 0 0 204.313 3.619 10 0 BHAERN CCC(C)(C)[C@H]1CC[C@H]2[C@@H](O)CCC[C@@]21C ZINC000115099419 368973339 /nfs/dbraw/zinc/97/33/39/368973339.db2.gz HREKJXRLHRJUOX-XPCVCDNBSA-N 0 0 224.388 4.000 10 0 BHAERN CC(C)=Nc1ccc(F)cc1Br ZINC000115270657 344706691 /nfs/dbraw/zinc/70/66/91/344706691.db2.gz ITXVWKGMIIWGGT-UHFFFAOYSA-N 0 0 230.080 3.701 10 0 BHAERN CC(C)=Nc1ccccc1Br ZINC000115270682 344706925 /nfs/dbraw/zinc/70/69/25/344706925.db2.gz RYZFWIBIMORJHE-UHFFFAOYSA-N 0 0 212.090 3.561 10 0 BHAERN C/C(=C\Br)c1ccccc1F ZINC000115281664 346865343 /nfs/dbraw/zinc/86/53/43/346865343.db2.gz MPOBEMQYUJYYEE-VOTSOKGWSA-N 0 0 215.065 3.581 10 0 BHAERN Cc1cccc(C)c1CC(=O)c1ccccc1 ZINC000115307646 344707199 /nfs/dbraw/zinc/70/71/99/344707199.db2.gz ORXWZKKYZBGIAH-UHFFFAOYSA-N 0 0 224.303 3.729 10 0 BHAERN CC(=O)c1ccc(Sc2ccccc2)cc1O ZINC000115314404 368945028 /nfs/dbraw/zinc/94/50/28/368945028.db2.gz ARMJFWYFMZRMAA-UHFFFAOYSA-N 0 0 244.315 3.746 10 0 BHAERN CCCCc1cc(F)c2ncccc2c1 ZINC000115340334 398279776 /nfs/dbraw/zinc/27/97/76/398279776.db2.gz DWSKYWQGBWJMRM-UHFFFAOYSA-N 0 0 203.260 3.717 10 0 BHAERN Clc1ccnc2c1ccn2-c1ccccc1 ZINC000115343355 370648650 /nfs/dbraw/zinc/64/86/50/370648650.db2.gz QDIBXDFITIVVGF-UHFFFAOYSA-N 0 0 228.682 3.679 10 0 BHAERN COc1cccc(OCc2ccccc2)c1C ZINC000115671627 348689063 /nfs/dbraw/zinc/68/90/63/348689063.db2.gz WKMPQFBTKWCMPJ-UHFFFAOYSA-N 0 0 228.291 3.583 10 0 BHAERN Cc1c(F)c(Cl)c(F)c(F)c1Cl ZINC000115684999 397890658 /nfs/dbraw/zinc/89/06/58/397890658.db2.gz VRRKDKKDXGHNQC-UHFFFAOYSA-N 0 0 215.001 3.719 10 0 BHAERN CCOC(=O)c1cnc2cc(C(C)C)ccc2c1 ZINC000115747079 369006016 /nfs/dbraw/zinc/00/60/16/369006016.db2.gz CRLBDOGIGPRXIO-UHFFFAOYSA-N 0 0 243.306 3.535 10 0 BHAERN CC(C)Oc1ccccc1Oc1ccccc1N ZINC000115907957 344720756 /nfs/dbraw/zinc/72/07/56/344720756.db2.gz OWTUUIZQEIQGLE-UHFFFAOYSA-N 0 0 243.306 3.848 10 0 BHAERN COc1cccc(F)c1Oc1cc(C)ccc1N ZINC000115908228 369012629 /nfs/dbraw/zinc/01/26/29/369012629.db2.gz RAARFTQGXZDHGP-UHFFFAOYSA-N 0 0 247.269 3.517 10 0 BHAERN Cc1ccccc1[C@@H](C)CC(=O)N[C@@H](C)C(C)C ZINC000115974432 370719928 /nfs/dbraw/zinc/71/99/28/370719928.db2.gz UBUYXCQOGCLWHP-KBPBESRZSA-N 0 0 247.382 3.649 10 0 BHAERN Cc1ccccc1[C@H](C)CC(=O)N[C@@H](C)C(C)C ZINC000115974434 370719685 /nfs/dbraw/zinc/71/96/85/370719685.db2.gz UBUYXCQOGCLWHP-KGLIPLIRSA-N 0 0 247.382 3.649 10 0 BHAERN Cc1ccccc1[C@@H](C)CC(=O)N[C@H](C)C(C)C ZINC000115974435 370719935 /nfs/dbraw/zinc/71/99/35/370719935.db2.gz UBUYXCQOGCLWHP-UONOGXRCSA-N 0 0 247.382 3.649 10 0 BHAERN Cc1ccccc1[C@H](C)CC(=O)N[C@H](C)C(C)C ZINC000115974437 370720324 /nfs/dbraw/zinc/72/03/24/370720324.db2.gz UBUYXCQOGCLWHP-ZIAGYGMSSA-N 0 0 247.382 3.649 10 0 BHAERN CCCCCCc1ccncc1Br ZINC000115993090 384110512 /nfs/dbraw/zinc/11/05/12/384110512.db2.gz QSHDOJOMVAUHNG-UHFFFAOYSA-N 0 0 242.160 3.967 10 0 BHAERN CCC[C@@H](C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116039123 169355016 /nfs/dbraw/zinc/35/50/16/169355016.db2.gz JOSRUKKQAZMSLZ-CHWSQXEVSA-N 0 0 249.354 3.769 10 0 BHAERN CCC[C@H](C)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116039126 387756702 /nfs/dbraw/zinc/75/67/02/387756702.db2.gz JOSRUKKQAZMSLZ-QWHCGFSZSA-N 0 0 249.354 3.769 10 0 BHAERN CCC[C@@H](C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116039128 169355437 /nfs/dbraw/zinc/35/54/37/169355437.db2.gz JOSRUKKQAZMSLZ-OLZOCXBDSA-N 0 0 249.354 3.769 10 0 BHAERN CCC[C@H](C)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116039131 387756430 /nfs/dbraw/zinc/75/64/30/387756430.db2.gz JOSRUKKQAZMSLZ-STQMWFEESA-N 0 0 249.354 3.769 10 0 BHAERN CCCCCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116043767 386911600 /nfs/dbraw/zinc/91/16/00/386911600.db2.gz OYSXTMBYAZQQPG-GFCCVEGCSA-N 0 0 235.327 3.523 10 0 BHAERN CCCCCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116043768 168635152 /nfs/dbraw/zinc/63/51/52/168635152.db2.gz OYSXTMBYAZQQPG-LBPRGKRZSA-N 0 0 235.327 3.523 10 0 BHAERN CCCCCCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116046199 386911721 /nfs/dbraw/zinc/91/17/21/386911721.db2.gz QAPZYSFQIPZKFD-CYBMUJFWSA-N 0 0 249.354 3.914 10 0 BHAERN CCCCCCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116046201 386911811 /nfs/dbraw/zinc/91/18/11/386911811.db2.gz QAPZYSFQIPZKFD-ZDUSSCGKSA-N 0 0 249.354 3.914 10 0 BHAERN O=C(CC1CCCC1)N1CCC[C@H]1c1ccco1 ZINC000116046991 187412149 /nfs/dbraw/zinc/41/21/49/187412149.db2.gz BNFHCKVIJVPJJV-ZDUSSCGKSA-N 0 0 247.338 3.523 10 0 BHAERN O=C(CC1CCCC1)N1CCC[C@@H]1c1ccco1 ZINC000116046993 384078223 /nfs/dbraw/zinc/07/82/23/384078223.db2.gz BNFHCKVIJVPJJV-CYBMUJFWSA-N 0 0 247.338 3.523 10 0 BHAERN O=C(C1CCCCC1)N1CCC[C@H]1c1ccco1 ZINC000116049350 181869686 /nfs/dbraw/zinc/86/96/86/181869686.db2.gz PVTUWUGRRFWIIE-ZDUSSCGKSA-N 0 0 247.338 3.523 10 0 BHAERN O=C(C1CCCCC1)N1CCC[C@@H]1c1ccco1 ZINC000116049352 181869626 /nfs/dbraw/zinc/86/96/26/181869626.db2.gz PVTUWUGRRFWIIE-CYBMUJFWSA-N 0 0 247.338 3.523 10 0 BHAERN COc1ccc(-c2n[nH]c3c2cccc3C)cc1 ZINC000116093702 344726208 /nfs/dbraw/zinc/72/62/08/344726208.db2.gz UWBSZPSMLLDATP-UHFFFAOYSA-N 0 0 238.290 3.547 10 0 BHAERN COc1ccc(C2CCCCC2)cc1C(C)=O ZINC000116116382 369022055 /nfs/dbraw/zinc/02/20/55/369022055.db2.gz AQOTVUQXHXAELM-UHFFFAOYSA-N 0 0 232.323 3.946 10 0 BHAERN NC(=O)OC1CCCCCCCCCCC1 ZINC000116118773 369022366 /nfs/dbraw/zinc/02/23/66/369022366.db2.gz RDLVZHIIBKHHDI-UHFFFAOYSA-N 0 0 227.348 3.755 10 0 BHAERN O=C(Cc1cccc(Cl)c1F)c1ccccc1 ZINC000116178055 384120941 /nfs/dbraw/zinc/12/09/41/384120941.db2.gz KWOMBSZAVZYKEO-UHFFFAOYSA-N 0 0 248.684 3.905 10 0 BHAERN N=C(Nc1cccc(Cl)c1)c1ccccc1F ZINC000116182933 342922413 /nfs/dbraw/zinc/92/24/13/342922413.db2.gz JVOSYUGJMQPZGD-UHFFFAOYSA-N 0 0 248.688 3.917 10 0 BHAERN CCCCCNc1cc2ccccc2[nH]1 ZINC000116252409 588974174 /nfs/dbraw/zinc/97/41/74/588974174.db2.gz VJASWIVWPPXNAG-UHFFFAOYSA-N 0 0 202.301 3.770 10 0 BHAERN Cc1cc(C#Cc2cncc(Cl)c2)ccc1F ZINC000116294044 397960546 /nfs/dbraw/zinc/96/05/46/397960546.db2.gz HADUUSSYIYRPOB-UHFFFAOYSA-N 0 0 245.684 3.582 10 0 BHAERN COc1cc(C(C)C)c(O)cc1C(F)(F)F ZINC000116343936 384489633 /nfs/dbraw/zinc/48/96/33/384489633.db2.gz WIYROZKNUUHJMI-UHFFFAOYSA-N 0 0 234.217 3.543 10 0 BHAERN CC(C)(C)c1ccc(OCc2ccccc2)cn1 ZINC000116400218 370767427 /nfs/dbraw/zinc/76/74/27/370767427.db2.gz LHMLNODXDYWEBT-UHFFFAOYSA-N 0 0 241.334 3.958 10 0 BHAERN O=C[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000116410885 345756875 /nfs/dbraw/zinc/75/68/75/345756875.db2.gz IHRJKAIHIIAWAZ-AWEZNQCLSA-N 0 0 230.694 3.671 10 0 BHAERN O=C[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000116410887 345756373 /nfs/dbraw/zinc/75/63/73/345756373.db2.gz IHRJKAIHIIAWAZ-CQSZACIVSA-N 0 0 230.694 3.671 10 0 BHAERN COc1ccc(-c2ccccc2C)c(F)c1 ZINC000116443907 342926247 /nfs/dbraw/zinc/92/62/47/342926247.db2.gz QGKXLHOYCYZDLA-UHFFFAOYSA-N 0 0 216.255 3.810 10 0 BHAERN Cc1noc2c1nc(-c1ccccc1)cc2Cl ZINC000116461574 342926700 /nfs/dbraw/zinc/92/67/00/342926700.db2.gz YMFSEHYHSGHTHH-UHFFFAOYSA-N 0 0 244.681 3.852 10 0 BHAERN COc1ccc2c(Cl)ncc(Cl)c2c1 ZINC000116462061 370777018 /nfs/dbraw/zinc/77/70/18/370777018.db2.gz IFGWFVZECHLNJD-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN CN(C(=S)Cc1ccccc1)c1ccccc1 ZINC000116464041 584942163 /nfs/dbraw/zinc/94/21/63/584942163.db2.gz VWPJZAZYEPUEME-UHFFFAOYSA-N 0 0 241.359 3.693 10 0 BHAERN Cc1ccc(C)c2c(C(C)C)cc(=O)[nH]c12 ZINC000116567532 370805793 /nfs/dbraw/zinc/80/57/93/370805793.db2.gz LZZGOJRKOYMVQF-UHFFFAOYSA-N 0 0 215.296 3.681 10 0 BHAERN CCc1c2ccccc2[nH]c1-c1cccnc1 ZINC000116644374 342931994 /nfs/dbraw/zinc/93/19/94/342931994.db2.gz VZPSXDCVEXAXSB-UHFFFAOYSA-N 0 0 222.291 3.792 10 0 BHAERN Cc1c2cc(F)ccc2[nH]c1-c1cccnc1 ZINC000116646020 342931801 /nfs/dbraw/zinc/93/18/01/342931801.db2.gz IXCYXNDDCZIFMN-UHFFFAOYSA-N 0 0 226.254 3.677 10 0 BHAERN Clc1cncc(-c2cc3ccccc3[nH]2)c1 ZINC000116648545 342930950 /nfs/dbraw/zinc/93/09/50/342930950.db2.gz ZGMWUTPTSGTAJW-UHFFFAOYSA-N 0 0 228.682 3.883 10 0 BHAERN CC(C)Oc1ccc(Oc2ccc(O)cc2)cc1 ZINC000116685828 342933107 /nfs/dbraw/zinc/93/31/07/342933107.db2.gz JNTAHLHINMYRSP-UHFFFAOYSA-N 0 0 244.290 3.972 10 0 BHAERN CCCCC/C=C\I ZINC000116773746 344735816 /nfs/dbraw/zinc/73/58/16/344735816.db2.gz XULQQNDHGTXWAD-SREVYHEPSA-N 0 0 224.085 3.515 10 0 BHAERN O=Cc1cccc(Sc2ccccc2)c1 ZINC000116843107 344736786 /nfs/dbraw/zinc/73/67/86/344736786.db2.gz MYSAHWZPLQBZMP-UHFFFAOYSA-N 0 0 214.289 3.650 10 0 BHAERN Cc1cc(O)c2cc(Br)ccc2c1 ZINC000116883098 342716761 /nfs/dbraw/zinc/71/67/61/342716761.db2.gz RZALYQQTDZBGJE-UHFFFAOYSA-N 0 0 237.096 3.616 10 0 BHAERN CCOC(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000116911924 342938852 /nfs/dbraw/zinc/93/88/52/342938852.db2.gz HQNJBIBRMKGXHM-XQRVVYSFSA-N 0 0 245.105 3.570 10 0 BHAERN Cc1ccc([C@H](C)NCc2cc(C)ccc2F)o1 ZINC000116912378 387468175 /nfs/dbraw/zinc/46/81/75/387468175.db2.gz ZWLNWBYDFYYFEP-LBPRGKRZSA-N 0 0 247.313 3.886 10 0 BHAERN Cc1ccc([C@@H](C)NCc2cc(C)ccc2F)o1 ZINC000116912380 387469197 /nfs/dbraw/zinc/46/91/97/387469197.db2.gz ZWLNWBYDFYYFEP-GFCCVEGCSA-N 0 0 247.313 3.886 10 0 BHAERN CCC[C@H](O)c1ccc(C)cc1Br ZINC000116937030 370854569 /nfs/dbraw/zinc/85/45/69/370854569.db2.gz MZGRFACAIYWYFU-NSHDSACASA-N 0 0 243.144 3.591 10 0 BHAERN CCC[C@@H](O)c1ccc(C)cc1Br ZINC000116937033 370854411 /nfs/dbraw/zinc/85/44/11/370854411.db2.gz MZGRFACAIYWYFU-LLVKDONJSA-N 0 0 243.144 3.591 10 0 BHAERN OCC1=C(c2ccc(Cl)cc2)CCCC1 ZINC000116983356 370860575 /nfs/dbraw/zinc/86/05/75/370860575.db2.gz VASURXMSWITTFT-UHFFFAOYSA-N 0 0 222.715 3.660 10 0 BHAERN CCc1cccc(CC)c1-c1cccc(CO)c1 ZINC000116988643 342940183 /nfs/dbraw/zinc/94/01/83/342940183.db2.gz XIAXRRQWNLIRSM-UHFFFAOYSA-N 0 0 240.346 3.971 10 0 BHAERN Fc1c(F)c(F)c(Cl)c(Cl)c1F ZINC000117012646 344738988 /nfs/dbraw/zinc/73/89/88/344738988.db2.gz OZRCFSKDIYWITR-UHFFFAOYSA-N 0 0 218.964 3.550 10 0 BHAERN C1=C(c2cc(C3=CCCC3)ncn2)CCC1 ZINC000117045764 368342866 /nfs/dbraw/zinc/34/28/66/368342866.db2.gz IPNTXDNBFAPDLP-UHFFFAOYSA-N 0 0 212.296 3.611 10 0 BHAERN Cc1cnc2[nH]c(-c3ccccc3)cc2c1 ZINC000117074671 342943390 /nfs/dbraw/zinc/94/33/90/342943390.db2.gz LQAFCJAXORNEHL-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN CCC(O)(CC)c1ccc2cc(O)ccc2c1 ZINC000117074867 370871033 /nfs/dbraw/zinc/87/10/33/370871033.db2.gz NCXASHVIEGKWMS-UHFFFAOYSA-N 0 0 230.307 3.553 10 0 BHAERN CCC(O)(CC)c1ccc2ccc(O)cc2c1 ZINC000117083854 370872346 /nfs/dbraw/zinc/87/23/46/370872346.db2.gz AMDPQCXIERYXRL-UHFFFAOYSA-N 0 0 230.307 3.553 10 0 BHAERN CC(C)n1ccnc1CSc1cccs1 ZINC000117109765 384162991 /nfs/dbraw/zinc/16/29/91/384162991.db2.gz IFVXNZJYHCMHAU-UHFFFAOYSA-N 0 0 238.381 3.818 10 0 BHAERN c1cc2cc(C3CCCCC3)cnc2[nH]1 ZINC000117143991 370877771 /nfs/dbraw/zinc/87/77/71/370877771.db2.gz HONUJBJQJPDOIB-UHFFFAOYSA-N 0 0 200.285 3.611 10 0 BHAERN Cc1ncccc1SCc1ccccc1 ZINC000117238328 342952405 /nfs/dbraw/zinc/95/24/05/342952405.db2.gz UPSVIELLFGDMDT-UHFFFAOYSA-N 0 0 215.321 3.682 10 0 BHAERN CCc1sc(C(C)=O)c2c1C[C@@H](C)CC2 ZINC000117321300 342967141 /nfs/dbraw/zinc/96/71/41/342967141.db2.gz KUGJQPFSKDHEFW-QMMMGPOBSA-N 0 0 222.353 3.638 10 0 BHAERN CCc1sc(C(C)=O)c2c1C[C@H](C)CC2 ZINC000117321302 342967093 /nfs/dbraw/zinc/96/70/93/342967093.db2.gz KUGJQPFSKDHEFW-MRVPVSSYSA-N 0 0 222.353 3.638 10 0 BHAERN OCc1ccc(C2CCCC2)c(C(F)(F)F)c1 ZINC000117530482 343003219 /nfs/dbraw/zinc/00/32/19/343003219.db2.gz CTTAPBNVXAKFSR-UHFFFAOYSA-N 0 0 244.256 3.855 10 0 BHAERN CSc1ccc(Br)c(Cl)c1 ZINC000117532477 187634699 /nfs/dbraw/zinc/63/46/99/187634699.db2.gz ZEDJKLTZTSSQFP-UHFFFAOYSA-N 0 0 237.549 3.824 10 0 BHAERN Fc1ccc(C#Cc2ccccc2)c(Cl)c1 ZINC000117534804 343003065 /nfs/dbraw/zinc/00/30/65/343003065.db2.gz GMDZHBCUEFSYEF-UHFFFAOYSA-N 0 0 230.669 3.879 10 0 BHAERN COc1ccc(C#Cc2ccccc2Cl)cc1 ZINC000117535463 343002918 /nfs/dbraw/zinc/00/29/18/343002918.db2.gz UJYXGZBKWDGUDH-UHFFFAOYSA-N 0 0 242.705 3.748 10 0 BHAERN COc1ccc(C#Cc2ccccc2)c(Cl)c1 ZINC000117535636 343002873 /nfs/dbraw/zinc/00/28/73/343002873.db2.gz YJNKWKHUYSFXPY-UHFFFAOYSA-N 0 0 242.705 3.748 10 0 BHAERN COc1ccc(Cl)c(C#Cc2ccccc2)c1 ZINC000117539733 343002868 /nfs/dbraw/zinc/00/28/68/343002868.db2.gz ILPGTGJRSVAELO-UHFFFAOYSA-N 0 0 242.705 3.748 10 0 BHAERN Cc1ccc(OCc2ccc(Cl)cc2)cc1O ZINC000117540263 343003069 /nfs/dbraw/zinc/00/30/69/343003069.db2.gz FPOMSHMGJPSWEQ-UHFFFAOYSA-N 0 0 248.709 3.933 10 0 BHAERN CS[C@@H](C)c1ccc(C(F)(F)Cl)nc1 ZINC000117646744 343011004 /nfs/dbraw/zinc/01/10/04/343011004.db2.gz PHBHUOZUNYIUKS-LURJTMIESA-N 0 0 237.702 3.794 10 0 BHAERN CS[C@H](C)c1ccc(C(F)(F)Cl)nc1 ZINC000117646745 343010758 /nfs/dbraw/zinc/01/07/58/343010758.db2.gz PHBHUOZUNYIUKS-ZCFIWIBFSA-N 0 0 237.702 3.794 10 0 BHAERN Clc1ccc(C2=NCCC2)cc1Cl ZINC000117687562 344750789 /nfs/dbraw/zinc/75/07/89/344750789.db2.gz MFAMNNGOAFYHFY-UHFFFAOYSA-N 0 0 214.095 3.576 10 0 BHAERN CCc1nc2cccnc2cc1-c1ccccc1 ZINC000117717636 368344202 /nfs/dbraw/zinc/34/42/02/368344202.db2.gz GYJPUNFSKVAPSZ-UHFFFAOYSA-N 0 0 234.302 3.859 10 0 BHAERN Clc1nc2cccnc2cc1-c1ccccc1 ZINC000117730017 347358589 /nfs/dbraw/zinc/35/85/89/347358589.db2.gz UMOPUYJFLXEFEY-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN Fc1cc2[nH]ccc2cc1OCc1ccccc1 ZINC000117740632 343015351 /nfs/dbraw/zinc/01/53/51/343015351.db2.gz VTDQUKKDBPQGSA-UHFFFAOYSA-N 0 0 241.265 3.886 10 0 BHAERN Clc1ccccc1Cc1c[nH]c2ncsc12 ZINC000117773925 344755064 /nfs/dbraw/zinc/75/50/64/344755064.db2.gz YJQPMFLBRFVNPJ-UHFFFAOYSA-N 0 0 248.738 3.869 10 0 BHAERN Clc1cccc(Cc2c[nH]c3ncsc23)c1 ZINC000117781128 347360631 /nfs/dbraw/zinc/36/06/31/347360631.db2.gz HXQFZWCRAYGGSA-UHFFFAOYSA-N 0 0 248.738 3.869 10 0 BHAERN Cc1cccc(C)c1-c1cc(C=O)ccc1F ZINC000117804413 343016476 /nfs/dbraw/zinc/01/64/76/343016476.db2.gz CTUZXNAWKBLRJQ-UHFFFAOYSA-N 0 0 228.266 3.922 10 0 BHAERN Cc1cc(Cl)ccc1-c1cccc(CO)c1 ZINC000117809250 343016730 /nfs/dbraw/zinc/01/67/30/343016730.db2.gz NABLMSHBCZCGHN-UHFFFAOYSA-N 0 0 232.710 3.808 10 0 BHAERN Cc1cccc(C)c1-c1cc(CO)ccc1F ZINC000117816104 343017565 /nfs/dbraw/zinc/01/75/65/343017565.db2.gz PLYXZMYDYZSNAD-UHFFFAOYSA-N 0 0 230.282 3.602 10 0 BHAERN S=c1nc(-c2ccccc2)ss1 ZINC000117845741 183314289 /nfs/dbraw/zinc/31/42/89/183314289.db2.gz WXFQYBWOZDLWJJ-UHFFFAOYSA-N 0 0 211.336 3.601 10 0 BHAERN CCCCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000117876278 387031751 /nfs/dbraw/zinc/03/17/51/387031751.db2.gz NXERGDNZVQAOCF-LBPRGKRZSA-N 0 0 238.400 3.860 10 0 BHAERN Cc1nc(-c2ccc(OC(F)(F)F)cc2)co1 ZINC000117904466 343020762 /nfs/dbraw/zinc/02/07/62/343020762.db2.gz NRSIKJOMZYLZQG-UHFFFAOYSA-N 0 0 243.184 3.549 10 0 BHAERN O[C@H]1C[C@@H](c2ccccc2)c2ccc(Cl)cc21 ZINC000117939479 343023879 /nfs/dbraw/zinc/02/38/79/343023879.db2.gz NVZAYUDBSXWJKD-ZFWWWQNUSA-N 0 0 244.721 3.909 10 0 BHAERN O[C@@H]1C[C@@H](c2ccccc2)c2ccc(Cl)cc21 ZINC000117942942 343024296 /nfs/dbraw/zinc/02/42/96/343024296.db2.gz NVZAYUDBSXWJKD-DZGCQCFKSA-N 0 0 244.721 3.909 10 0 BHAERN c1nc(Cc2ccccc2-c2ccccc2)c[nH]1 ZINC000118036625 343036844 /nfs/dbraw/zinc/03/68/44/343036844.db2.gz QNPJNJBCDOOQPX-UHFFFAOYSA-N 0 0 234.302 3.668 10 0 BHAERN Clc1cccc2c1nnn2C1CCCCCC1 ZINC000118041779 343037529 /nfs/dbraw/zinc/03/75/29/343037529.db2.gz ZABMLYMUBLKWDM-UHFFFAOYSA-N 0 0 249.745 3.980 10 0 BHAERN Clc1cccc(Nc2nccc(Cl)n2)c1 ZINC000118070331 323903679 /nfs/dbraw/zinc/90/36/79/323903679.db2.gz CJBHZQJLFPOTCN-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN COc1c(Cl)cc(C(C)=O)cc1C(C)(C)C ZINC000118091538 343038662 /nfs/dbraw/zinc/03/86/62/343038662.db2.gz YNNMJUDSWOFZQL-UHFFFAOYSA-N 0 0 240.730 3.849 10 0 BHAERN Cc1c(Cl)nc2cc(F)ccc2c1Cl ZINC000118092460 385708828 /nfs/dbraw/zinc/70/88/28/385708828.db2.gz XLQABZORGNIRBH-UHFFFAOYSA-N 0 0 230.069 3.989 10 0 BHAERN N#Cc1c(Cl)nc2cc(F)ccc2c1Cl ZINC000118096122 368386764 /nfs/dbraw/zinc/38/67/64/368386764.db2.gz GFUBKWXHOQFTCD-UHFFFAOYSA-N 0 0 241.052 3.552 10 0 BHAERN Cc1c(Cl)nc2cccc(F)c2c1Cl ZINC000118099537 525791949 /nfs/dbraw/zinc/79/19/49/525791949.db2.gz CTSIBTFLVHAELM-UHFFFAOYSA-N 0 0 230.069 3.989 10 0 BHAERN CC(C)(c1ccccc1)c1ccc(C=O)cc1 ZINC000118147771 343043146 /nfs/dbraw/zinc/04/31/46/343043146.db2.gz JMSFZACADUHQFE-UHFFFAOYSA-N 0 0 224.303 3.825 10 0 BHAERN OCc1ccccc1-c1cc2ccccc2o1 ZINC000118300566 342737616 /nfs/dbraw/zinc/73/76/16/342737616.db2.gz FIZOYCUWNWYZAY-UHFFFAOYSA-N 0 0 224.259 3.592 10 0 BHAERN Cc1ccc(P(C(C)C)C(C)C)cc1 ZINC000118304536 342748029 /nfs/dbraw/zinc/74/80/29/342748029.db2.gz GUHBYYXRMWTEOP-UHFFFAOYSA-N 0 0 208.285 3.919 10 0 BHAERN CO[C@@H](C)c1cnc(-c2cccc(Cl)c2)nc1 ZINC000118335777 368345345 /nfs/dbraw/zinc/34/53/45/368345345.db2.gz SSZIEQFSIRLEGM-VIFPVBQESA-N 0 0 248.713 3.504 10 0 BHAERN CO[C@H](C)c1cnc(-c2cccc(Cl)c2)nc1 ZINC000118335780 368345098 /nfs/dbraw/zinc/34/50/98/368345098.db2.gz SSZIEQFSIRLEGM-SECBINFHSA-N 0 0 248.713 3.504 10 0 BHAERN Cc1cnc(-c2cccc(Cl)c2)s1 ZINC000118338811 188509578 /nfs/dbraw/zinc/50/95/78/188509578.db2.gz AWKSERSOCKSBNM-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN CCCCCC1(C(=O)OC)CCCCC1 ZINC000118387025 344800849 /nfs/dbraw/zinc/80/08/49/344800849.db2.gz ICKQUSNLGXOHNG-UHFFFAOYSA-N 0 0 212.333 3.690 10 0 BHAERN CC(C)c1ccc(NCc2ccccc2)nc1 ZINC000118468509 397964873 /nfs/dbraw/zinc/96/48/73/397964873.db2.gz RZSQEDIGTNREGN-UHFFFAOYSA-N 0 0 226.323 3.817 10 0 BHAERN CCCCCC[C@@H](C=O)c1ccc(Cl)nc1 ZINC000118496176 345756800 /nfs/dbraw/zinc/75/68/00/345756800.db2.gz QBFNVQYUQFMGHC-LBPRGKRZSA-N 0 0 239.746 3.988 10 0 BHAERN CCCCCC[C@H](C=O)c1ccc(Cl)nc1 ZINC000118496179 345756666 /nfs/dbraw/zinc/75/66/66/345756666.db2.gz QBFNVQYUQFMGHC-GFCCVEGCSA-N 0 0 239.746 3.988 10 0 BHAERN CCCCCC[C@@H](CO)c1ccc(Cl)nc1 ZINC000118497977 343046660 /nfs/dbraw/zinc/04/66/60/343046660.db2.gz WSFJGOOJYYSYFB-LBPRGKRZSA-N 0 0 241.762 3.781 10 0 BHAERN CCCCCC[C@H](CO)c1ccc(Cl)nc1 ZINC000118497980 343046574 /nfs/dbraw/zinc/04/65/74/343046574.db2.gz WSFJGOOJYYSYFB-GFCCVEGCSA-N 0 0 241.762 3.781 10 0 BHAERN C[C@@](F)(C#N)c1ccc(Cl)cc1Cl ZINC000118499421 368971416 /nfs/dbraw/zinc/97/14/16/368971416.db2.gz SCYYOOWSEXGLFZ-SECBINFHSA-N 0 0 218.058 3.702 10 0 BHAERN C[C@](F)(C#N)c1ccc(Cl)cc1Cl ZINC000118499423 343046930 /nfs/dbraw/zinc/04/69/30/343046930.db2.gz SCYYOOWSEXGLFZ-VIFPVBQESA-N 0 0 218.058 3.702 10 0 BHAERN CCCCCCOC(=O)[C@@H](C)c1ccccc1 ZINC000118572535 343049340 /nfs/dbraw/zinc/04/93/40/343049340.db2.gz LARAVRJCBZOBAA-ZDUSSCGKSA-N 0 0 234.339 3.914 10 0 BHAERN C#Cc1ncc(-c2ccc(Cl)cc2)cc1F ZINC000118640095 343051721 /nfs/dbraw/zinc/05/17/21/343051721.db2.gz DSTCJRPNTWBXDO-UHFFFAOYSA-N 0 0 231.657 3.522 10 0 BHAERN Clc1cc(Cc2ccccc2)cc(Cl)n1 ZINC000118741374 368974308 /nfs/dbraw/zinc/97/43/08/368974308.db2.gz PWIGBSCBAAJZII-UHFFFAOYSA-N 0 0 238.117 3.979 10 0 BHAERN C=Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC000118752371 344822669 /nfs/dbraw/zinc/82/26/69/344822669.db2.gz NNEVIHMHALMUSB-UHFFFAOYSA-N 0 0 233.311 3.701 10 0 BHAERN CC1(C)[C@@H]2C[C@H]1C(c1ccccc1C=O)=CC2 ZINC000118785836 343056584 /nfs/dbraw/zinc/05/65/84/343056584.db2.gz CBTKUKYOZNMVNR-WFASDCNBSA-N 0 0 226.319 3.949 10 0 BHAERN COc1cc(-c2ccco2)cc(OC)c1Cl ZINC000118790423 343056655 /nfs/dbraw/zinc/05/66/55/343056655.db2.gz PUJSZNONTPWTHD-UHFFFAOYSA-N 0 0 238.670 3.617 10 0 BHAERN CCC[C@@H]1CC[C@H](c2ccc(O)c(F)c2)OC1 ZINC000118796644 343056623 /nfs/dbraw/zinc/05/66/23/343056623.db2.gz LFUCOTXTSDPUIN-QMTHXVAHSA-N 0 0 238.302 3.799 10 0 BHAERN CCC[C@H]1CC[C@H](c2ccc(O)c(F)c2)OC1 ZINC000118796646 343056648 /nfs/dbraw/zinc/05/66/48/343056648.db2.gz LFUCOTXTSDPUIN-IINYFYTJSA-N 0 0 238.302 3.799 10 0 BHAERN CCC[C@@H]1CC[C@@H](c2ccc(O)c(F)c2)OC1 ZINC000118796649 344825678 /nfs/dbraw/zinc/82/56/78/344825678.db2.gz LFUCOTXTSDPUIN-YGRLFVJLSA-N 0 0 238.302 3.799 10 0 BHAERN CCC[C@H]1CC[C@@H](c2ccc(O)c(F)c2)OC1 ZINC000118796651 343056524 /nfs/dbraw/zinc/05/65/24/343056524.db2.gz LFUCOTXTSDPUIN-HZMBPMFUSA-N 0 0 238.302 3.799 10 0 BHAERN O=Cc1cccc(OC2CCCCCC2)c1 ZINC000118825605 343058271 /nfs/dbraw/zinc/05/82/71/343058271.db2.gz VCQWQRDYCRYNRB-UHFFFAOYSA-N 0 0 218.296 3.601 10 0 BHAERN Cc1cc(-c2cccc(Cl)c2Cl)ncn1 ZINC000118827503 343057846 /nfs/dbraw/zinc/05/78/46/343057846.db2.gz FGDKZNNRYWJRGT-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN OCc1ccc(-c2ccccc2Cl)s1 ZINC000118831215 347246501 /nfs/dbraw/zinc/24/65/01/347246501.db2.gz KVEQMWKWMISLST-UHFFFAOYSA-N 0 0 224.712 3.561 10 0 BHAERN Cc1nnc(-c2ccccc2C(F)(F)F)s1 ZINC000118908574 343061636 /nfs/dbraw/zinc/06/16/36/343061636.db2.gz RSKQPXZGZCDHNM-UHFFFAOYSA-N 0 0 244.241 3.532 10 0 BHAERN CCC1CCC(NC(=O)C(C2CC2)C2CC2)CC1 ZINC000119240422 323918671 /nfs/dbraw/zinc/91/86/71/323918671.db2.gz LDMIDGJGYXBNEI-UHFFFAOYSA-N 0 0 249.398 3.508 10 0 BHAERN CSc1ccc(NCc2ccc(F)cc2)cn1 ZINC000119406017 343076019 /nfs/dbraw/zinc/07/60/19/343076019.db2.gz CLCXARWMQXVKCO-UHFFFAOYSA-N 0 0 248.326 3.555 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)CC2CCC2)cc1F ZINC000119442472 387134517 /nfs/dbraw/zinc/13/45/17/387134517.db2.gz PDQNGCFZNDBMAG-NSHDSACASA-N 0 0 249.329 3.502 10 0 BHAERN CC(C)C(=O)O[C@@H](C)c1nc2ccccc2s1 ZINC000120221064 589393632 /nfs/dbraw/zinc/39/36/32/589393632.db2.gz UZQARFIUHALXKI-VIFPVBQESA-N 0 0 249.335 3.557 10 0 BHAERN CC(C)C(=O)O[C@H](C)c1nc2ccccc2s1 ZINC000120221223 589393514 /nfs/dbraw/zinc/39/35/14/589393514.db2.gz UZQARFIUHALXKI-SECBINFHSA-N 0 0 249.335 3.557 10 0 BHAERN Cc1csc2nc(C)nc(NC(C)(C)C)c12 ZINC000120359149 180013562 /nfs/dbraw/zinc/01/35/62/180013562.db2.gz LCOMXTLATCLPDN-UHFFFAOYSA-N 0 0 235.356 3.519 10 0 BHAERN CCCCCN(C(=O)N[C@@H](C)C(C)C)C(C)C ZINC000120500828 411396244 /nfs/dbraw/zinc/39/62/44/411396244.db2.gz CJCZTNVVYKPNPE-ZDUSSCGKSA-N 0 0 242.407 3.641 10 0 BHAERN CCCCCN(C(=O)N[C@H](C)C(C)C)C(C)C ZINC000120500997 410876764 /nfs/dbraw/zinc/87/67/64/410876764.db2.gz CJCZTNVVYKPNPE-CYBMUJFWSA-N 0 0 242.407 3.641 10 0 BHAERN CCC(CC)CC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000120955320 168344610 /nfs/dbraw/zinc/34/46/10/168344610.db2.gz ARVYUMSVZIZPAF-NSHDSACASA-N 0 0 237.343 3.592 10 0 BHAERN CCC(CC)CC(=O)N[C@H](C)c1ccc(C)o1 ZINC000120955474 168346077 /nfs/dbraw/zinc/34/60/77/168346077.db2.gz ARVYUMSVZIZPAF-LLVKDONJSA-N 0 0 237.343 3.592 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)C[C@@H]2CC[C@H](C)C2)o1 ZINC000120956148 387285647 /nfs/dbraw/zinc/28/56/47/387285647.db2.gz QBNBRZGYXBTLJD-WCFLWFBJSA-N 0 0 249.354 3.592 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)C[C@H]2CC[C@H](C)C2)o1 ZINC000120956430 387285211 /nfs/dbraw/zinc/28/52/11/387285211.db2.gz QBNBRZGYXBTLJD-DRZSPHRISA-N 0 0 249.354 3.592 10 0 BHAERN Cc1cc2ccc(Cl)cc2c(Cl)n1 ZINC000122286112 538111166 /nfs/dbraw/zinc/11/11/66/538111166.db2.gz OGHAEMCBPGWRAP-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Cc1cc2c(Cl)cccc2c(Cl)n1 ZINC000122286866 538111158 /nfs/dbraw/zinc/11/11/58/538111158.db2.gz LIQKGSKZUGUGHM-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN C[C@H](Nc1ccnc(Cl)c1)C1CCCC1 ZINC000122648511 589613705 /nfs/dbraw/zinc/61/37/05/589613705.db2.gz BQALSPNISDEHQP-VIFPVBQESA-N 0 0 224.735 3.726 10 0 BHAERN C[C@@H](Nc1ccnc(Cl)c1)C1CCCC1 ZINC000122648715 589614085 /nfs/dbraw/zinc/61/40/85/589614085.db2.gz BQALSPNISDEHQP-SECBINFHSA-N 0 0 224.735 3.726 10 0 BHAERN CCCCc1ccc(O)c(C(=O)C(C)C)c1 ZINC000122821659 589634817 /nfs/dbraw/zinc/63/48/17/589634817.db2.gz FVJMVYCBGFZLPB-UHFFFAOYSA-N 0 0 220.312 3.574 10 0 BHAERN CCCCc1ccc(O)c(C(=O)CCC)c1 ZINC000122822192 589634850 /nfs/dbraw/zinc/63/48/50/589634850.db2.gz ZSKHNZNPSKGMHO-UHFFFAOYSA-N 0 0 220.312 3.718 10 0 BHAERN C[C@H](Nc1ccc(C(F)(F)F)cn1)C(C)(C)C ZINC000122944769 386521561 /nfs/dbraw/zinc/52/15/61/386521561.db2.gz HAADKEZKCVPSMM-QMMMGPOBSA-N 0 0 246.276 3.947 10 0 BHAERN C[C@@H](Nc1ccc(C(F)(F)F)cn1)C(C)(C)C ZINC000122945008 386521690 /nfs/dbraw/zinc/52/16/90/386521690.db2.gz HAADKEZKCVPSMM-MRVPVSSYSA-N 0 0 246.276 3.947 10 0 BHAERN Cc1cc(NCCC2CCC2)nc(C(C)C)n1 ZINC000122968702 178158657 /nfs/dbraw/zinc/15/86/57/178158657.db2.gz GAAOHTAIVZXEDN-UHFFFAOYSA-N 0 0 233.359 3.511 10 0 BHAERN Cc1ccc(-c2ccccc2C=O)cc1F ZINC000123141913 583013588 /nfs/dbraw/zinc/01/35/88/583013588.db2.gz HQDFXYLFZJDKAW-UHFFFAOYSA-N 0 0 214.239 3.614 10 0 BHAERN Cc1cc(CNc2cscc2C)c(C)o1 ZINC000123323214 589690541 /nfs/dbraw/zinc/69/05/41/589690541.db2.gz NEFKJSBKQYYNLA-UHFFFAOYSA-N 0 0 221.325 3.878 10 0 BHAERN O=C(Cc1ccccc1)c1cccc2cccnc21 ZINC000123463913 182045266 /nfs/dbraw/zinc/04/52/66/182045266.db2.gz XDCOSIINRIGYJY-UHFFFAOYSA-N 0 0 247.297 3.660 10 0 BHAERN C/C=C/CCNc1nc2ccccc2s1 ZINC000123771588 385911462 /nfs/dbraw/zinc/91/14/62/385911462.db2.gz RMPNRFBOIUUZHK-NSCUHMNNSA-N 0 0 218.325 3.674 10 0 BHAERN C/C=C/CCNc1ccc2ccccc2n1 ZINC000123771864 386570644 /nfs/dbraw/zinc/57/06/44/386570644.db2.gz DRARRVZIVJOYRI-NSCUHMNNSA-N 0 0 212.296 3.613 10 0 BHAERN Cc1cccc(C)c1NCc1nccn1C(C)C ZINC000123783173 179043780 /nfs/dbraw/zinc/04/37/80/179043780.db2.gz KBWAJMUIZLUKGA-UHFFFAOYSA-N 0 0 243.354 3.693 10 0 BHAERN FC(F)n1ccc2cc(Br)ccc21 ZINC000123867200 323943737 /nfs/dbraw/zinc/94/37/37/323943737.db2.gz RAYNMWDBGPEOCC-UHFFFAOYSA-N 0 0 246.054 3.799 10 0 BHAERN CC[C@@H](C)CSCc1nccn1C(C)C ZINC000123882882 170714115 /nfs/dbraw/zinc/71/41/15/170714115.db2.gz CCBNFYQARAMOAN-LLVKDONJSA-N 0 0 226.389 3.743 10 0 BHAERN CC[C@H](C)CSCc1nccn1C(C)C ZINC000123883167 171293223 /nfs/dbraw/zinc/29/32/23/171293223.db2.gz CCBNFYQARAMOAN-NSHDSACASA-N 0 0 226.389 3.743 10 0 BHAERN FC(F)n1ccc2ccc(Br)cc21 ZINC000123913257 384595143 /nfs/dbraw/zinc/59/51/43/384595143.db2.gz BDQRKIYAOICRKF-UHFFFAOYSA-N 0 0 246.054 3.799 10 0 BHAERN O=Cc1ccccc1-c1cccc2cccnc21 ZINC000124187851 589959585 /nfs/dbraw/zinc/95/95/85/589959585.db2.gz RSUPFANHSNCUDV-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1ccc(-c2cccc3ncccc32)cc1 ZINC000124191676 589959179 /nfs/dbraw/zinc/95/91/79/589959179.db2.gz JEOBYHLNIFMCEH-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1cccc(-c2cccc3ncccc32)c1 ZINC000124191902 589959191 /nfs/dbraw/zinc/95/91/91/589959191.db2.gz UIXNLCDPZZGQPJ-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1ccccc1-c1cccc2ncccc21 ZINC000124192661 589959603 /nfs/dbraw/zinc/95/96/03/589959603.db2.gz BCZDECQRSJDUHV-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN C[C@@H](Nc1ccnc(Cl)c1)c1cccc(O)c1 ZINC000124450065 386632740 /nfs/dbraw/zinc/63/27/40/386632740.db2.gz BTWANNKCROJWQP-SECBINFHSA-N 0 0 248.713 3.614 10 0 BHAERN COc1cccc(Nc2cc(Cl)ccc2N)c1 ZINC000124478104 343167772 /nfs/dbraw/zinc/16/77/72/343167772.db2.gz XXGUEAYQTMYBCM-UHFFFAOYSA-N 0 0 248.713 3.674 10 0 BHAERN CCC[N@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000124523052 388662931 /nfs/dbraw/zinc/66/29/31/388662931.db2.gz XHSFSQXXOQRLIE-UHFFFAOYSA-N 0 0 240.350 3.609 10 0 BHAERN O=Cc1cnc(-c2ccc(C(F)F)cc2)s1 ZINC000124650117 343164240 /nfs/dbraw/zinc/16/42/40/343164240.db2.gz YJPIOYSNCPIBFE-UHFFFAOYSA-N 0 0 239.246 3.560 10 0 BHAERN CCc1cnc([C@@H](C)Nc2cccc(C)n2)s1 ZINC000125005846 353173513 /nfs/dbraw/zinc/17/35/13/353173513.db2.gz HMIBLXVTVJMHJE-SNVBAGLBSA-N 0 0 247.367 3.582 10 0 BHAERN CCc1cnc([C@H](C)Nc2cccc(C)n2)s1 ZINC000125006059 353173517 /nfs/dbraw/zinc/17/35/17/353173517.db2.gz HMIBLXVTVJMHJE-JTQLQIEISA-N 0 0 247.367 3.582 10 0 BHAERN CC[C@H](C)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000125171673 171253267 /nfs/dbraw/zinc/25/32/67/171253267.db2.gz TWWZGEJNVMPKCM-SLEUVZQESA-N 0 0 245.366 3.787 10 0 BHAERN CC[C@H](C)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000125172034 171254583 /nfs/dbraw/zinc/25/45/83/171254583.db2.gz TWWZGEJNVMPKCM-HUBLWGQQSA-N 0 0 245.366 3.787 10 0 BHAERN C[C@@H]1CC[C@H](NC(=O)C(C)(C)C)c2ccccc21 ZINC000125281018 176231583 /nfs/dbraw/zinc/23/15/83/176231583.db2.gz BWCLDOLAJKYPGU-RISCZKNCSA-N 0 0 245.366 3.787 10 0 BHAERN C[C@H]1CC[C@H](NC(=O)C(C)(C)C)c2ccccc21 ZINC000125281236 177204243 /nfs/dbraw/zinc/20/42/43/177204243.db2.gz BWCLDOLAJKYPGU-FZMZJTMJSA-N 0 0 245.366 3.787 10 0 BHAERN C[C@@H]1CC[C@@H](NC(=O)C(C)(C)C)c2ccccc21 ZINC000125281508 176210386 /nfs/dbraw/zinc/21/03/86/176210386.db2.gz BWCLDOLAJKYPGU-BXUZGUMPSA-N 0 0 245.366 3.787 10 0 BHAERN C[C@H]1CC[C@@H](NC(=O)C(C)(C)C)c2ccccc21 ZINC000125281749 177192173 /nfs/dbraw/zinc/19/21/73/177192173.db2.gz BWCLDOLAJKYPGU-SMDDNHRTSA-N 0 0 245.366 3.787 10 0 BHAERN CCc1ccc2cc(C)nc(Cl)c2c1 ZINC000125296063 538469497 /nfs/dbraw/zinc/46/94/97/538469497.db2.gz ZDZVCDDRFFHMHF-UHFFFAOYSA-N 0 0 205.688 3.759 10 0 BHAERN CCc1cccc2c(Cl)nc(C)cc12 ZINC000125300261 538469585 /nfs/dbraw/zinc/46/95/85/538469585.db2.gz UZPCZXBTLORODX-UHFFFAOYSA-N 0 0 205.688 3.759 10 0 BHAERN Cc1cc2cccc(Cl)c2c(Cl)n1 ZINC000125302381 538469579 /nfs/dbraw/zinc/46/95/79/538469579.db2.gz DAOBCMBGRZZRPL-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Cc1cc2cc(Cl)ccc2c(Cl)n1 ZINC000125303196 538469839 /nfs/dbraw/zinc/46/98/39/538469839.db2.gz AUPIYJWQNPEJEK-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN COc1cc(C)c(-c2ccc(C)c(N)c2)cc1C ZINC000125373641 490429374 /nfs/dbraw/zinc/42/93/74/490429374.db2.gz SVAVLSRLPPYNHX-UHFFFAOYSA-N 0 0 241.334 3.870 10 0 BHAERN COc1cc(C)c(-c2cc(N)ccc2C)cc1C ZINC000125374176 590162864 /nfs/dbraw/zinc/16/28/64/590162864.db2.gz OCSZUFJOOZLNOJ-UHFFFAOYSA-N 0 0 241.334 3.870 10 0 BHAERN COc1cc(C)c(-c2ccc(C)cc2N)cc1C ZINC000125374826 490429398 /nfs/dbraw/zinc/42/93/98/490429398.db2.gz SSGVXMHYTZXWBP-UHFFFAOYSA-N 0 0 241.334 3.870 10 0 BHAERN COc1cc(C)c(-c2ccccc2N)cc1C ZINC000125375312 411368410 /nfs/dbraw/zinc/36/84/10/411368410.db2.gz WXMIVLVXJSGBEI-UHFFFAOYSA-N 0 0 227.307 3.561 10 0 BHAERN COc1cc(C)c(-c2ccc(N)cc2C)cc1C ZINC000125378374 490429472 /nfs/dbraw/zinc/42/94/72/490429472.db2.gz XWPLJGFOWVOPFM-UHFFFAOYSA-N 0 0 241.334 3.870 10 0 BHAERN COc1cc(C)c(-c2ccc(N)c(C)c2)cc1C ZINC000125378643 490429430 /nfs/dbraw/zinc/42/94/30/490429430.db2.gz SGOFKNFITUULSW-UHFFFAOYSA-N 0 0 241.334 3.870 10 0 BHAERN COc1cc(C)c(-c2cc(C)ccc2N)cc1C ZINC000125381699 590163037 /nfs/dbraw/zinc/16/30/37/590163037.db2.gz CRDWJFDDRWDOMB-UHFFFAOYSA-N 0 0 241.334 3.870 10 0 BHAERN COc1cc(C)c(-c2ccccc2C=O)cc1C ZINC000125385523 590162907 /nfs/dbraw/zinc/16/29/07/590162907.db2.gz SQZZYYCCTVAUCP-UHFFFAOYSA-N 0 0 240.302 3.792 10 0 BHAERN Cc1ccc(CNc2cscc2C)o1 ZINC000125454256 386844498 /nfs/dbraw/zinc/84/44/98/386844498.db2.gz NSYBMUPYCUHEBG-UHFFFAOYSA-N 0 0 207.298 3.570 10 0 BHAERN Cc1cscc1NCc1ccc(Cl)o1 ZINC000125456358 179808935 /nfs/dbraw/zinc/80/89/35/179808935.db2.gz DYYKMFLQJBUQOY-UHFFFAOYSA-N 0 0 227.716 3.915 10 0 BHAERN Cc1ccoc1CNc1cscc1C ZINC000125458261 386845918 /nfs/dbraw/zinc/84/59/18/386845918.db2.gz YKPXMDVWGQSYNA-UHFFFAOYSA-N 0 0 207.298 3.570 10 0 BHAERN CCc1ccc(CNc2cscc2C)o1 ZINC000125463368 388672472 /nfs/dbraw/zinc/67/24/72/388672472.db2.gz DNBAWLFLCKNCGD-UHFFFAOYSA-N 0 0 221.325 3.824 10 0 BHAERN C[C@@H]1CC[C@H](NC(=O)C2(C)CC2)c2ccccc21 ZINC000125534863 176231262 /nfs/dbraw/zinc/23/12/62/176231262.db2.gz BOOPKWUWFUQMCC-RISCZKNCSA-N 0 0 243.350 3.541 10 0 BHAERN C[C@H]1CC[C@H](NC(=O)C2(C)CC2)c2ccccc21 ZINC000125535093 177204807 /nfs/dbraw/zinc/20/48/07/177204807.db2.gz BOOPKWUWFUQMCC-FZMZJTMJSA-N 0 0 243.350 3.541 10 0 BHAERN C[C@@H]1CC[C@@H](NC(=O)C2(C)CC2)c2ccccc21 ZINC000125535311 176210089 /nfs/dbraw/zinc/21/00/89/176210089.db2.gz BOOPKWUWFUQMCC-BXUZGUMPSA-N 0 0 243.350 3.541 10 0 BHAERN C[C@H]1CC[C@@H](NC(=O)C2(C)CC2)c2ccccc21 ZINC000125535549 177192297 /nfs/dbraw/zinc/19/22/97/177192297.db2.gz BOOPKWUWFUQMCC-SMDDNHRTSA-N 0 0 243.350 3.541 10 0 BHAERN Cc1cscc1NC[C@H]1CC=CCC1 ZINC000125765119 388677092 /nfs/dbraw/zinc/67/70/92/388677092.db2.gz DAJHWSVCUXFWQV-NSHDSACASA-N 0 0 207.342 3.825 10 0 BHAERN Cc1cscc1NC[C@@H]1CC=CCC1 ZINC000125765364 388677111 /nfs/dbraw/zinc/67/71/11/388677111.db2.gz DAJHWSVCUXFWQV-LLVKDONJSA-N 0 0 207.342 3.825 10 0 BHAERN Cc1cc(F)ccc1-c1ccc(O)cc1 ZINC000125886310 343167912 /nfs/dbraw/zinc/16/79/12/343167912.db2.gz VKWLGZRQBJHLIU-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN CCCc1ccccc1NC(=O)N[C@@H](C)C(C)C ZINC000126438797 411437174 /nfs/dbraw/zinc/43/71/74/411437174.db2.gz CZCRHAVPSMGABD-LBPRGKRZSA-N 0 0 248.370 3.805 10 0 BHAERN CCCc1ccccc1NC(=O)N[C@H](C)C(C)C ZINC000126439018 411437751 /nfs/dbraw/zinc/43/77/51/411437751.db2.gz CZCRHAVPSMGABD-GFCCVEGCSA-N 0 0 248.370 3.805 10 0 BHAERN CCCC(=O)O[C@@H](CC)c1ccc(F)cc1 ZINC000126543859 590336002 /nfs/dbraw/zinc/33/60/02/590336002.db2.gz GOECCWYUOSKPHI-LBPRGKRZSA-N 0 0 224.275 3.620 10 0 BHAERN CCCC(=O)O[C@H](CC)c1ccc(F)cc1 ZINC000126544100 590335503 /nfs/dbraw/zinc/33/55/03/590335503.db2.gz GOECCWYUOSKPHI-GFCCVEGCSA-N 0 0 224.275 3.620 10 0 BHAERN CC[C@H](OC(=O)C1CCC1)c1ccc(F)cc1 ZINC000126565855 590350019 /nfs/dbraw/zinc/35/00/19/590350019.db2.gz OEZYUHOVTGVGGL-ZDUSSCGKSA-N 0 0 236.286 3.620 10 0 BHAERN CC[C@@H](OC(=O)C1CCC1)c1ccc(F)cc1 ZINC000126566079 590349749 /nfs/dbraw/zinc/34/97/49/590349749.db2.gz OEZYUHOVTGVGGL-CYBMUJFWSA-N 0 0 236.286 3.620 10 0 BHAERN Oc1cccc(SCc2ccsc2)c1 ZINC000126981031 342808576 /nfs/dbraw/zinc/80/85/76/342808576.db2.gz QFYCZUFQGTVWGL-UHFFFAOYSA-N 0 0 222.334 3.746 10 0 BHAERN CC(C)OC(=O)N(Cc1cccs1)C(C)C ZINC000127086428 590560448 /nfs/dbraw/zinc/56/04/48/590560448.db2.gz SOOZRWGKAOGJQE-UHFFFAOYSA-N 0 0 241.356 3.504 10 0 BHAERN CC(C)OC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000127093385 590561268 /nfs/dbraw/zinc/56/12/68/590561268.db2.gz KSBOOXLNQXDFMM-ZETCQYMHSA-N 0 0 247.747 3.597 10 0 BHAERN CC(C)OC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000127093610 590562152 /nfs/dbraw/zinc/56/21/52/590562152.db2.gz KSBOOXLNQXDFMM-SSDOTTSWSA-N 0 0 247.747 3.597 10 0 BHAERN Cc1cc([C@@H](C)NC(=O)OC(C)C)c(C)s1 ZINC000127106844 388714973 /nfs/dbraw/zinc/71/49/73/388714973.db2.gz JKTQRPHMFOOQRE-SECBINFHSA-N 0 0 241.356 3.561 10 0 BHAERN Cc1cc([C@H](C)NC(=O)OC(C)C)c(C)s1 ZINC000127107113 324746375 /nfs/dbraw/zinc/74/63/75/324746375.db2.gz JKTQRPHMFOOQRE-VIFPVBQESA-N 0 0 241.356 3.561 10 0 BHAERN CC(C)OC(=O)N[C@@H](C)c1ccccc1Cl ZINC000127107844 167164803 /nfs/dbraw/zinc/16/48/03/167164803.db2.gz UBJQIVCYHDNJEH-VIFPVBQESA-N 0 0 241.718 3.536 10 0 BHAERN CC(C)OC(=O)N[C@H](C)c1ccccc1Cl ZINC000127108083 167165444 /nfs/dbraw/zinc/16/54/44/167165444.db2.gz UBJQIVCYHDNJEH-SECBINFHSA-N 0 0 241.718 3.536 10 0 BHAERN CC(C)OC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000127108310 167164776 /nfs/dbraw/zinc/16/47/76/167164776.db2.gz BRBUKBDNSURHKD-VIFPVBQESA-N 0 0 241.718 3.536 10 0 BHAERN CC(C)OC(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000127108522 167166155 /nfs/dbraw/zinc/16/61/55/167166155.db2.gz BRBUKBDNSURHKD-SECBINFHSA-N 0 0 241.718 3.536 10 0 BHAERN CC(C)OC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000127108754 167163614 /nfs/dbraw/zinc/16/36/14/167163614.db2.gz HCJOWOWCOJKNAL-VIFPVBQESA-N 0 0 241.718 3.536 10 0 BHAERN CC(C)OC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000127108993 167166108 /nfs/dbraw/zinc/16/61/08/167166108.db2.gz HCJOWOWCOJKNAL-SECBINFHSA-N 0 0 241.718 3.536 10 0 BHAERN CC(C)C[C@@H](C)Nc1cc(Cl)nnc1Cl ZINC000127149437 343620990 /nfs/dbraw/zinc/62/09/90/343620990.db2.gz LPRASGCRZCVCPE-SSDOTTSWSA-N 0 0 248.157 3.630 10 0 BHAERN CC(C)C[C@H](C)Nc1cc(Cl)nnc1Cl ZINC000127149654 343622510 /nfs/dbraw/zinc/62/25/10/343622510.db2.gz LPRASGCRZCVCPE-ZETCQYMHSA-N 0 0 248.157 3.630 10 0 BHAERN CC[C@@H](C)[C@@H](C)Nc1cc(Cl)nnc1Cl ZINC000127165824 345160853 /nfs/dbraw/zinc/16/08/53/345160853.db2.gz PIWFAJZLACQRNI-RNFRBKRXSA-N 0 0 248.157 3.630 10 0 BHAERN CC[C@H](C)[C@@H](C)Nc1cc(Cl)nnc1Cl ZINC000127166056 345160905 /nfs/dbraw/zinc/16/09/05/345160905.db2.gz PIWFAJZLACQRNI-NKWVEPMBSA-N 0 0 248.157 3.630 10 0 BHAERN CC[C@@H](C)[C@H](C)Nc1cc(Cl)nnc1Cl ZINC000127166304 343884232 /nfs/dbraw/zinc/88/42/32/343884232.db2.gz PIWFAJZLACQRNI-RQJHMYQMSA-N 0 0 248.157 3.630 10 0 BHAERN CC[C@H](C)[C@H](C)Nc1cc(Cl)nnc1Cl ZINC000127166526 345161028 /nfs/dbraw/zinc/16/10/28/345161028.db2.gz PIWFAJZLACQRNI-BQBZGAKWSA-N 0 0 248.157 3.630 10 0 BHAERN CC[C@H](Nc1cc(Cl)nnc1Cl)C(C)C ZINC000127168284 343886446 /nfs/dbraw/zinc/88/64/46/343886446.db2.gz ZGDAXFUIZNITKH-ZETCQYMHSA-N 0 0 248.157 3.630 10 0 BHAERN CC[C@@H](Nc1cc(Cl)nnc1Cl)C(C)C ZINC000127168449 343886305 /nfs/dbraw/zinc/88/63/05/343886305.db2.gz ZGDAXFUIZNITKH-SSDOTTSWSA-N 0 0 248.157 3.630 10 0 BHAERN O=C(c1ccc(OC(F)(F)F)cc1)C1CCC1 ZINC000127258505 344092744 /nfs/dbraw/zinc/09/27/44/344092744.db2.gz AUVDJPVPNGMMOE-UHFFFAOYSA-N 0 0 244.212 3.568 10 0 BHAERN Clc1cc(Nc2ccsc2)c(Cl)nn1 ZINC000127259754 344092671 /nfs/dbraw/zinc/09/26/71/344092671.db2.gz GYJHJGVGYQNYGQ-UHFFFAOYSA-N 0 0 246.122 3.589 10 0 BHAERN C[C@@H]1CCC[C@H](CC(=O)C2CCCC2)C1 ZINC000127260578 344092713 /nfs/dbraw/zinc/09/27/13/344092713.db2.gz XBHIMDDLORVROQ-NEPJUHHUSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@H]1CCC[C@H](CC(=O)C2CCCC2)C1 ZINC000127260815 344094784 /nfs/dbraw/zinc/09/47/84/344094784.db2.gz XBHIMDDLORVROQ-RYUDHWBXSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@@H]1CCC[C@@H](CC(=O)C2CCCC2)C1 ZINC000127261058 344094824 /nfs/dbraw/zinc/09/48/24/344094824.db2.gz XBHIMDDLORVROQ-VXGBXAGGSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@H]1CCC[C@@H](CC(=O)C2CCCC2)C1 ZINC000127261336 344095099 /nfs/dbraw/zinc/09/50/99/344095099.db2.gz XBHIMDDLORVROQ-NWDGAFQWSA-N 0 0 208.345 3.962 10 0 BHAERN CC(C)CSc1cc(Cl)nnc1Cl ZINC000127270638 344100086 /nfs/dbraw/zinc/10/00/86/344100086.db2.gz LYTYBSWAUUYDJG-UHFFFAOYSA-N 0 0 237.155 3.532 10 0 BHAERN CC[C@H](C)Sc1cc(Cl)nnc1Cl ZINC000127272177 344101247 /nfs/dbraw/zinc/10/12/47/344101247.db2.gz LHNSZLABNNFBCZ-YFKPBYRVSA-N 0 0 237.155 3.674 10 0 BHAERN CC(C)(C)Sc1cc(Cl)nnc1Cl ZINC000127272684 398339595 /nfs/dbraw/zinc/33/95/95/398339595.db2.gz CDDMFBVHNGXIKQ-UHFFFAOYSA-N 0 0 237.155 3.674 10 0 BHAERN Clc1cc(SC2CCCC2)c(Cl)nn1 ZINC000127282972 345170159 /nfs/dbraw/zinc/17/01/59/345170159.db2.gz RAVPLQOXERXDJQ-UHFFFAOYSA-N 0 0 249.166 3.818 10 0 BHAERN Cc1ccc(-c2cc(Cl)nnc2Cl)cc1 ZINC000127343293 343171857 /nfs/dbraw/zinc/17/18/57/343171857.db2.gz WQKXNIIHTIWMLS-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN Fc1ccc(-c2cc(Cl)nnc2Cl)cc1 ZINC000127345078 345174558 /nfs/dbraw/zinc/17/45/58/345174558.db2.gz FIDOISMJTFQGFY-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Clc1cc(-c2cccs2)c(Cl)nn1 ZINC000127347492 384886723 /nfs/dbraw/zinc/88/67/23/384886723.db2.gz ZJMUMFQTMSYALO-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN CC(C)=CC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127512344 384906695 /nfs/dbraw/zinc/90/66/95/384906695.db2.gz NSZHQOSFICBOGW-ZDUSSCGKSA-N 0 0 247.338 3.608 10 0 BHAERN CC(C)=CC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127512532 384908792 /nfs/dbraw/zinc/90/87/92/384908792.db2.gz NSZHQOSFICBOGW-CYBMUJFWSA-N 0 0 247.338 3.608 10 0 BHAERN CC(C)Cn1nc(C2CCCC2)cc1Cl ZINC000127546723 344562254 /nfs/dbraw/zinc/56/22/54/344562254.db2.gz JPWBIVMKSCLSKU-UHFFFAOYSA-N 0 0 226.751 3.850 10 0 BHAERN CC(C)n1nc(C2CCCC2)cc1Cl ZINC000127547222 344562030 /nfs/dbraw/zinc/56/20/30/344562030.db2.gz BZXPYSRJWQYBAV-UHFFFAOYSA-N 0 0 212.724 3.775 10 0 BHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CC(C)C)o1 ZINC000127692001 384934360 /nfs/dbraw/zinc/93/43/60/384934360.db2.gz LVDAOMYQGLMEOU-ZDUSSCGKSA-N 0 0 249.354 3.688 10 0 BHAERN Cc1ccc([C@H]2CCCCN2C(=O)CC(C)C)o1 ZINC000127692217 384934006 /nfs/dbraw/zinc/93/40/06/384934006.db2.gz LVDAOMYQGLMEOU-CYBMUJFWSA-N 0 0 249.354 3.688 10 0 BHAERN CCCCCCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000127797066 592728365 /nfs/dbraw/zinc/72/83/65/592728365.db2.gz VZSFQEXOHXOTHC-LBPRGKRZSA-N 0 0 237.343 3.736 10 0 BHAERN CCCCCCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000127797257 592728249 /nfs/dbraw/zinc/72/82/49/592728249.db2.gz VZSFQEXOHXOTHC-GFCCVEGCSA-N 0 0 237.343 3.736 10 0 BHAERN CC[C@@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127871902 384957039 /nfs/dbraw/zinc/95/70/39/384957039.db2.gz GYFKPTRVTFELJW-DGCLKSJQSA-N 0 0 249.354 3.688 10 0 BHAERN CC[C@H](C)C(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127872130 171247979 /nfs/dbraw/zinc/24/79/79/171247979.db2.gz GYFKPTRVTFELJW-WCQYABFASA-N 0 0 249.354 3.688 10 0 BHAERN CC[C@@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127872370 384956587 /nfs/dbraw/zinc/95/65/87/384956587.db2.gz GYFKPTRVTFELJW-YPMHNXCESA-N 0 0 249.354 3.688 10 0 BHAERN CC[C@H](C)C(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127872598 171248637 /nfs/dbraw/zinc/24/86/37/171248637.db2.gz GYFKPTRVTFELJW-AAEUAGOBSA-N 0 0 249.354 3.688 10 0 BHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCCCCC1 ZINC000127872899 344670871 /nfs/dbraw/zinc/67/08/71/344670871.db2.gz WGURQVHDFPAPMB-HUUCEWRRSA-N 0 0 249.398 3.605 10 0 BHAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCCCCC1 ZINC000127873119 344670553 /nfs/dbraw/zinc/67/05/53/344670553.db2.gz WGURQVHDFPAPMB-CABCVRRESA-N 0 0 249.398 3.605 10 0 BHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCCCCC1 ZINC000127873341 344670643 /nfs/dbraw/zinc/67/06/43/344670643.db2.gz WGURQVHDFPAPMB-LSDHHAIUSA-N 0 0 249.398 3.605 10 0 BHAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCCCCC1 ZINC000127873569 344670875 /nfs/dbraw/zinc/67/08/75/344670875.db2.gz WGURQVHDFPAPMB-GJZGRUSLSA-N 0 0 249.398 3.605 10 0 BHAERN CCCCC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127893771 168611700 /nfs/dbraw/zinc/61/17/00/168611700.db2.gz VQJSQQRAILZFNP-CYBMUJFWSA-N 0 0 249.354 3.832 10 0 BHAERN CCCCC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000127894001 384959642 /nfs/dbraw/zinc/95/96/42/384959642.db2.gz VQJSQQRAILZFNP-ZDUSSCGKSA-N 0 0 249.354 3.832 10 0 BHAERN S=C1N=C2c3ccc(Cl)cc3CC2S1 ZINC000127930476 344683170 /nfs/dbraw/zinc/68/31/70/344683170.db2.gz LFLZKTQCVICLDZ-UHFFFAOYSA-N 0 0 239.752 3.656 10 0 BHAERN O=C(C[C@@H]1CCCCO1)c1ccc(Cl)s1 ZINC000128021197 353279151 /nfs/dbraw/zinc/27/91/51/353279151.db2.gz BEZHCYNXIDOLKR-QMMMGPOBSA-N 0 0 244.743 3.543 10 0 BHAERN O=C(C[C@H]1CCCCO1)c1ccc(Cl)s1 ZINC000128021431 353279358 /nfs/dbraw/zinc/27/93/58/353279358.db2.gz BEZHCYNXIDOLKR-MRVPVSSYSA-N 0 0 244.743 3.543 10 0 BHAERN O=C(C=C1CCCCC1)c1cccs1 ZINC000128223853 345692081 /nfs/dbraw/zinc/69/20/81/345692081.db2.gz JLBCKAIOAAHFGZ-UHFFFAOYSA-N 0 0 206.310 3.821 10 0 BHAERN CCc1ccc([C@@H]2CCCCN2C(=O)C(C)C)o1 ZINC000128363527 387745059 /nfs/dbraw/zinc/74/50/59/387745059.db2.gz DKGPEUVWPWMCHI-ZDUSSCGKSA-N 0 0 249.354 3.552 10 0 BHAERN CCc1ccc([C@H]2CCCCN2C(=O)C(C)C)o1 ZINC000128363766 387744731 /nfs/dbraw/zinc/74/47/31/387744731.db2.gz DKGPEUVWPWMCHI-CYBMUJFWSA-N 0 0 249.354 3.552 10 0 BHAERN CC(C)C(=O)c1cc2c(cccc2Cl)o1 ZINC000128410703 346993314 /nfs/dbraw/zinc/99/33/14/346993314.db2.gz YGLQGCLKUMJILS-UHFFFAOYSA-N 0 0 222.671 3.925 10 0 BHAERN O=C(c1cc2c(cccc2Cl)o1)C1CC1 ZINC000128415605 346998093 /nfs/dbraw/zinc/99/80/93/346998093.db2.gz MXFAVRSDSNMHNF-UHFFFAOYSA-N 0 0 220.655 3.679 10 0 BHAERN CCCC(=O)N1CCCC[C@@H]1c1ccc(CC)o1 ZINC000128488818 168537560 /nfs/dbraw/zinc/53/75/60/168537560.db2.gz SNYKXOLRXLSTIG-CYBMUJFWSA-N 0 0 249.354 3.696 10 0 BHAERN CCCC(=O)N1CCCC[C@H]1c1ccc(CC)o1 ZINC000128489036 385041800 /nfs/dbraw/zinc/04/18/00/385041800.db2.gz SNYKXOLRXLSTIG-ZDUSSCGKSA-N 0 0 249.354 3.696 10 0 BHAERN c1csc(-c2coc3ccccc32)n1 ZINC000128493924 353292014 /nfs/dbraw/zinc/29/20/14/353292014.db2.gz MLKIXYFAQKOVII-UHFFFAOYSA-N 0 0 201.250 3.556 10 0 BHAERN Fc1ccc(-c2nccs2)cc1Cl ZINC000128498106 348596500 /nfs/dbraw/zinc/59/65/00/348596500.db2.gz VQQLWPVROMTEAQ-UHFFFAOYSA-N 0 0 213.664 3.603 10 0 BHAERN Cc1c(Br)cccc1NC1CCC1 ZINC000128586764 349868153 /nfs/dbraw/zinc/86/81/53/349868153.db2.gz QTUPQGUIQDUTKH-UHFFFAOYSA-N 0 0 240.144 3.722 10 0 BHAERN CC(C)(C)C(=O)c1coc2ccccc12 ZINC000128665337 350013929 /nfs/dbraw/zinc/01/39/29/350013929.db2.gz KUQIDYLCBGVNCM-UHFFFAOYSA-N 0 0 202.253 3.662 10 0 BHAERN CC[C@@H](C)C(=O)c1coc2ccccc12 ZINC000128665976 350010949 /nfs/dbraw/zinc/01/09/49/350010949.db2.gz NVHPIZFIJKKJFH-SECBINFHSA-N 0 0 202.253 3.662 10 0 BHAERN CC[C@H](C)C(=O)c1coc2ccccc12 ZINC000128666213 350010990 /nfs/dbraw/zinc/01/09/90/350010990.db2.gz NVHPIZFIJKKJFH-VIFPVBQESA-N 0 0 202.253 3.662 10 0 BHAERN CC(C)C[C@@H](C)Nc1cc(CO)ccc1Cl ZINC000128681226 322961760 /nfs/dbraw/zinc/96/17/60/322961760.db2.gz TVOCMFDBPDOIGW-SNVBAGLBSA-N 0 0 241.762 3.679 10 0 BHAERN CC(C)C[C@H](C)Nc1cc(CO)ccc1Cl ZINC000128681506 388785370 /nfs/dbraw/zinc/78/53/70/388785370.db2.gz TVOCMFDBPDOIGW-JTQLQIEISA-N 0 0 241.762 3.679 10 0 BHAERN Cc1cccc(N[C@@H]2CCSC2)c1Cl ZINC000128684681 345243689 /nfs/dbraw/zinc/24/36/89/345243689.db2.gz XANOZEDMFBBNLP-SECBINFHSA-N 0 0 227.760 3.566 10 0 BHAERN Cc1cccc(N[C@H]2CCSC2)c1Cl ZINC000128684947 350033049 /nfs/dbraw/zinc/03/30/49/350033049.db2.gz XANOZEDMFBBNLP-VIFPVBQESA-N 0 0 227.760 3.566 10 0 BHAERN Oc1ccc(F)cc1-c1nc2ccccc2s1 ZINC000128703339 343175281 /nfs/dbraw/zinc/17/52/81/343175281.db2.gz SWYVTAFRNPDKQD-UHFFFAOYSA-N 0 0 245.278 3.808 10 0 BHAERN Clc1nc(-c2coc3ccccc23)ns1 ZINC000128717101 398097138 /nfs/dbraw/zinc/09/71/38/398097138.db2.gz RUQZLBRTDHUEDP-UHFFFAOYSA-N 0 0 236.683 3.605 10 0 BHAERN Clc1noc(-c2ccc(Cl)cc2Cl)n1 ZINC000128774920 350135195 /nfs/dbraw/zinc/13/51/95/350135195.db2.gz SNVVDDDPIDYZLL-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN CCOC1CC(Nc2ccccc2C(C)C)C1 ZINC000128858802 324894075 /nfs/dbraw/zinc/89/40/75/324894075.db2.gz HSMONYABFRIGQH-UHFFFAOYSA-N 0 0 233.355 3.789 10 0 BHAERN Clc1ccc(OC2CCCCCC2)cn1 ZINC000128937030 350903481 /nfs/dbraw/zinc/90/34/81/350903481.db2.gz HJQBQHHFSUIHGQ-UHFFFAOYSA-N 0 0 225.719 3.837 10 0 BHAERN O=C(c1cc2ccccc2s1)c1cccnc1 ZINC000128975908 385018449 /nfs/dbraw/zinc/01/84/49/385018449.db2.gz NVQHIHKHEPIGHK-UHFFFAOYSA-N 0 0 239.299 3.527 10 0 BHAERN CCC(CC)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000129033606 350969549 /nfs/dbraw/zinc/96/95/49/350969549.db2.gz MUEUMOGSTCTFCH-ZIAGYGMSSA-N 0 0 237.387 3.508 10 0 BHAERN CCC(CC)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000129033856 345248300 /nfs/dbraw/zinc/24/83/00/345248300.db2.gz MUEUMOGSTCTFCH-KGLIPLIRSA-N 0 0 237.387 3.508 10 0 BHAERN CCC(CC)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000129034058 350969366 /nfs/dbraw/zinc/96/93/66/350969366.db2.gz MUEUMOGSTCTFCH-UONOGXRCSA-N 0 0 237.387 3.508 10 0 BHAERN CCC(CC)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000129034274 350970295 /nfs/dbraw/zinc/97/02/95/350970295.db2.gz MUEUMOGSTCTFCH-KBPBESRZSA-N 0 0 237.387 3.508 10 0 BHAERN CSCCC(=O)c1cccc(C)c1Cl ZINC000129116681 350984975 /nfs/dbraw/zinc/98/49/75/350984975.db2.gz ZIOWIPXIJBLXIS-UHFFFAOYSA-N 0 0 228.744 3.584 10 0 BHAERN Cc1cccc(C(=O)[C@@H]2CCCS2)c1Cl ZINC000129117237 350985337 /nfs/dbraw/zinc/98/53/37/350985337.db2.gz HWHYYDJZLBEQSW-JTQLQIEISA-N 0 0 240.755 3.727 10 0 BHAERN Cc1cccc(C(=O)[C@H]2CCCS2)c1Cl ZINC000129117439 350985143 /nfs/dbraw/zinc/98/51/43/350985143.db2.gz HWHYYDJZLBEQSW-SNVBAGLBSA-N 0 0 240.755 3.727 10 0 BHAERN CCC(CC)COc1ccc(Cl)cc1C=O ZINC000129140601 384979475 /nfs/dbraw/zinc/97/94/75/384979475.db2.gz QZUGUWSSLSAFJH-UHFFFAOYSA-N 0 0 240.730 3.968 10 0 BHAERN Cc1cccc(-c2nnc(Cl)s2)c1Cl ZINC000129166801 351002532 /nfs/dbraw/zinc/00/25/32/351002532.db2.gz LRCMOBRHUVWYQK-UHFFFAOYSA-N 0 0 245.134 3.820 10 0 BHAERN CCC(CC)COc1ccc(Cl)cc1CO ZINC000129195519 351007073 /nfs/dbraw/zinc/00/70/73/351007073.db2.gz LUKOINONTYMTGS-UHFFFAOYSA-N 0 0 242.746 3.647 10 0 BHAERN CCC(CC)COc1cccc([C@@H](C)O)c1 ZINC000129196591 591267427 /nfs/dbraw/zinc/26/74/27/591267427.db2.gz FEADGKWTCSPCBC-LLVKDONJSA-N 0 0 222.328 3.555 10 0 BHAERN CCC(CC)COc1cccc([C@H](C)O)c1 ZINC000129196828 591267458 /nfs/dbraw/zinc/26/74/58/591267458.db2.gz FEADGKWTCSPCBC-NSHDSACASA-N 0 0 222.328 3.555 10 0 BHAERN C[C@@H]1CCC(=O)[C@H](C2CCCCCC2)C1 ZINC000129229284 351008868 /nfs/dbraw/zinc/00/88/68/351008868.db2.gz OCGBSZAHZSKXQH-YPMHNXCESA-N 0 0 208.345 3.962 10 0 BHAERN C[C@H]1CCC(=O)[C@H](C2CCCCCC2)C1 ZINC000129229471 351008862 /nfs/dbraw/zinc/00/88/62/351008862.db2.gz OCGBSZAHZSKXQH-AAEUAGOBSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@@H]1CCC(=O)[C@@H](C2CCCCCC2)C1 ZINC000129229691 351008684 /nfs/dbraw/zinc/00/86/84/351008684.db2.gz OCGBSZAHZSKXQH-DGCLKSJQSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@H]1CCC(=O)[C@@H](C2CCCCCC2)C1 ZINC000129229889 351008892 /nfs/dbraw/zinc/00/88/92/351008892.db2.gz OCGBSZAHZSKXQH-WCQYABFASA-N 0 0 208.345 3.962 10 0 BHAERN CC/C=C(/C)C(=O)Oc1ccc(SC)cc1 ZINC000129267463 632424603 /nfs/dbraw/zinc/42/46/03/632424603.db2.gz PKUWEVMOOPNLMR-YHYXMXQVSA-N 0 0 236.336 3.670 10 0 BHAERN CCC(C)(C)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000129313550 351122243 /nfs/dbraw/zinc/12/22/43/351122243.db2.gz OWDFLWAJSVUSNU-CHWSQXEVSA-N 0 0 237.387 3.508 10 0 BHAERN CCC(C)(C)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000129313769 351122220 /nfs/dbraw/zinc/12/22/20/351122220.db2.gz OWDFLWAJSVUSNU-OLZOCXBDSA-N 0 0 237.387 3.508 10 0 BHAERN CCC(C)(C)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000129313962 351122075 /nfs/dbraw/zinc/12/20/75/351122075.db2.gz OWDFLWAJSVUSNU-QWHCGFSZSA-N 0 0 237.387 3.508 10 0 BHAERN CCC(C)(C)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000129314197 351122268 /nfs/dbraw/zinc/12/22/68/351122268.db2.gz OWDFLWAJSVUSNU-STQMWFEESA-N 0 0 237.387 3.508 10 0 BHAERN CCc1ccc2nc(SC)nc(Cl)c2c1 ZINC000129314263 351122165 /nfs/dbraw/zinc/12/21/65/351122165.db2.gz PMLWOMIWNMGRPL-UHFFFAOYSA-N 0 0 238.743 3.568 10 0 BHAERN COCc1ccccc1N[C@H]1CCC(C)(C)C1 ZINC000129314903 324936767 /nfs/dbraw/zinc/93/67/67/324936767.db2.gz GPYZZYLCKFPAJI-ZDUSSCGKSA-N 0 0 233.355 3.824 10 0 BHAERN Cc1cc(Cl)cc2nc(Cl)nc(Cl)c12 ZINC000129345478 351150596 /nfs/dbraw/zinc/15/05/96/351150596.db2.gz PRDIVPPZHRKPIZ-UHFFFAOYSA-N 0 0 247.512 3.898 10 0 BHAERN Cc1cc(C)c2c(Cl)nc(Cl)nc2c1 ZINC000129350421 351154497 /nfs/dbraw/zinc/15/44/97/351154497.db2.gz XKGLHSKJWSFTDR-UHFFFAOYSA-N 0 0 227.094 3.553 10 0 BHAERN Cc1cc([C@H]([NH3+])c2ccc(Cl)s2)cs1 ZINC000129416306 353113490 /nfs/dbraw/zinc/11/34/90/353113490.db2.gz JUVWVAVONTYKCR-JTQLQIEISA-N 0 0 243.784 3.820 10 0 BHAERN CCc1c(C)[nH]c2c1cccc2Br ZINC000129525043 353315427 /nfs/dbraw/zinc/31/54/27/353315427.db2.gz FVRQTUGICOJSGW-UHFFFAOYSA-N 0 0 238.128 3.801 10 0 BHAERN CC(C)Oc1ccccc1C(=O)CC(F)(F)F ZINC000129559685 353387717 /nfs/dbraw/zinc/38/77/17/353387717.db2.gz XZFSHGVYOOLKFP-UHFFFAOYSA-N 0 0 246.228 3.609 10 0 BHAERN CCCC(C)(C)Nc1ncc(Cl)cc1F ZINC000129649438 355774877 /nfs/dbraw/zinc/77/48/77/355774877.db2.gz VNZPJMIQEVTLMG-UHFFFAOYSA-N 0 0 230.714 3.865 10 0 BHAERN Clc1cc(N[C@H]2CCc3ccccc32)ccn1 ZINC000129660060 386096324 /nfs/dbraw/zinc/09/63/24/386096324.db2.gz NROUVIYMVIVBDD-ZDUSSCGKSA-N 0 0 244.725 3.834 10 0 BHAERN Clc1cc(N[C@@H]2CCc3ccccc32)ccn1 ZINC000129660286 180576361 /nfs/dbraw/zinc/57/63/61/180576361.db2.gz NROUVIYMVIVBDD-CYBMUJFWSA-N 0 0 244.725 3.834 10 0 BHAERN CC(C)Oc1ccccc1-c1ccccc1C=O ZINC000129705854 591380281 /nfs/dbraw/zinc/38/02/81/591380281.db2.gz YFWHLHNBINKROQ-UHFFFAOYSA-N 0 0 240.302 3.953 10 0 BHAERN CC(C)Oc1ccccc1-c1cccc(C=O)c1 ZINC000129706483 591379946 /nfs/dbraw/zinc/37/99/46/591379946.db2.gz WXRIFCFQZWELPG-UHFFFAOYSA-N 0 0 240.302 3.953 10 0 BHAERN Cc1ccc(C=O)c(-c2cccs2)c1 ZINC000129706920 355921392 /nfs/dbraw/zinc/92/13/92/355921392.db2.gz LJCWIKNVPRXORB-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN CC(C)Oc1ccccc1-c1ccc(C=O)cc1 ZINC000129707195 591380371 /nfs/dbraw/zinc/38/03/71/591380371.db2.gz QZOQLTHPUCGKHG-UHFFFAOYSA-N 0 0 240.302 3.953 10 0 BHAERN Cc1ccc(-c2cc(C)ccc2C=O)s1 ZINC000129712163 355923176 /nfs/dbraw/zinc/92/31/76/355923176.db2.gz HWFRLHWSIOKGIP-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN Cc1ccsc1-c1cc(C)ccc1C=O ZINC000129713548 355951613 /nfs/dbraw/zinc/95/16/13/355951613.db2.gz SAOJTXFTJGXNPK-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN CCc1ccc(CNc2ccnc(Cl)c2)cc1 ZINC000129855926 171813373 /nfs/dbraw/zinc/81/33/73/171813373.db2.gz OPWKDOUBGCBREE-UHFFFAOYSA-N 0 0 246.741 3.910 10 0 BHAERN Nc1cc2ccc(Cl)c(Cl)c2nc1Cl ZINC000130185678 358742487 /nfs/dbraw/zinc/74/24/87/358742487.db2.gz HTQPSGFQGBHVRP-UHFFFAOYSA-N 0 0 247.512 3.777 10 0 BHAERN FC(F)c1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000130333789 359581140 /nfs/dbraw/zinc/58/11/40/359581140.db2.gz OFLRXZNZQHCPPV-UHFFFAOYSA-N 0 0 237.036 3.807 10 0 BHAERN CCCCc1ccc(O)c(C(=O)CC(C)C)c1 ZINC000130344929 591459279 /nfs/dbraw/zinc/45/92/79/591459279.db2.gz WDLIGAMBWUQJCT-UHFFFAOYSA-N 0 0 234.339 3.964 10 0 BHAERN CCCCc1ccc(O)c(C(=O)C(C)(C)C)c1 ZINC000130345201 591458685 /nfs/dbraw/zinc/45/86/85/591458685.db2.gz WHKZVZMYUQFTIV-UHFFFAOYSA-N 0 0 234.339 3.964 10 0 BHAERN CCC(CC)CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000130364108 134618898 /nfs/dbraw/zinc/61/88/98/134618898.db2.gz OTMPRNUCTQIYLH-CYBMUJFWSA-N 0 0 249.354 3.769 10 0 BHAERN CCC(CC)CC(=O)N1CCC[C@H]1c1ccco1 ZINC000130364297 358621594 /nfs/dbraw/zinc/62/15/94/358621594.db2.gz OTMPRNUCTQIYLH-ZDUSSCGKSA-N 0 0 249.354 3.769 10 0 BHAERN CCC(=CC(=O)N1CCC[C@@H]1c1ccco1)CC ZINC000130365333 358621622 /nfs/dbraw/zinc/62/16/22/358621622.db2.gz LRFZHPKNRPJVNS-CYBMUJFWSA-N 0 0 247.338 3.690 10 0 BHAERN CCC(=CC(=O)N1CCC[C@H]1c1ccco1)CC ZINC000130365567 358621605 /nfs/dbraw/zinc/62/16/05/358621605.db2.gz LRFZHPKNRPJVNS-ZDUSSCGKSA-N 0 0 247.338 3.690 10 0 BHAERN CSCc1nc2cc(Cl)c(Cl)cc2[nH]1 ZINC000130387083 359721978 /nfs/dbraw/zinc/72/19/78/359721978.db2.gz GSMKPLGMVNGPTE-UHFFFAOYSA-N 0 0 247.150 3.733 10 0 BHAERN CCCCSCCC(=O)c1ccccc1 ZINC000130800176 369031437 /nfs/dbraw/zinc/03/14/37/369031437.db2.gz AGYYXZGDYOCPED-UHFFFAOYSA-N 0 0 222.353 3.793 10 0 BHAERN C[C@@H]1CC[C@@H](O)c2c(Cl)ccc(Cl)c21 ZINC000131014294 370731767 /nfs/dbraw/zinc/73/17/67/370731767.db2.gz HXWZKZGGXINKOR-HZGVNTEJSA-N 0 0 231.122 3.924 10 0 BHAERN C[C@H]1CC[C@@H](O)c2c(Cl)ccc(Cl)c21 ZINC000131014504 370728224 /nfs/dbraw/zinc/72/82/24/370728224.db2.gz HXWZKZGGXINKOR-IMTBSYHQSA-N 0 0 231.122 3.924 10 0 BHAERN Cc1cccc(NC2CCC2)c1Br ZINC000131048382 370959400 /nfs/dbraw/zinc/95/94/00/370959400.db2.gz RHPDCKSPHBFDNG-UHFFFAOYSA-N 0 0 240.144 3.722 10 0 BHAERN c1ccc(CCNc2cccc3ccncc32)cc1 ZINC000131124171 325119761 /nfs/dbraw/zinc/11/97/61/325119761.db2.gz NAUKSLQRMISGTF-UHFFFAOYSA-N 0 0 248.329 3.889 10 0 BHAERN CC[C@@H](C)Nc1cccc(C)c1Br ZINC000131146323 371561789 /nfs/dbraw/zinc/56/17/89/371561789.db2.gz CTLLYMDKGMSMDN-SECBINFHSA-N 0 0 242.160 3.968 10 0 BHAERN CC[C@H](C)Nc1cccc(C)c1Br ZINC000131146536 371563359 /nfs/dbraw/zinc/56/33/59/371563359.db2.gz CTLLYMDKGMSMDN-VIFPVBQESA-N 0 0 242.160 3.968 10 0 BHAERN O=Cc1ccc(-c2cccc3ccncc32)s1 ZINC000131205498 591571312 /nfs/dbraw/zinc/57/13/12/591571312.db2.gz CNQJNBVQWGMZKV-UHFFFAOYSA-N 0 0 239.299 3.776 10 0 BHAERN Fc1c(Cl)cccc1Cc1nccs1 ZINC000131304625 353372823 /nfs/dbraw/zinc/37/28/23/353372823.db2.gz REWYKVXSMDANQM-UHFFFAOYSA-N 0 0 227.691 3.526 10 0 BHAERN Cc1cccc(NCC(C)C)c1Br ZINC000131378079 371595385 /nfs/dbraw/zinc/59/53/85/371595385.db2.gz PENRVADJCIUGRU-UHFFFAOYSA-N 0 0 242.160 3.825 10 0 BHAERN Cc1occc1SCc1nccn1C(C)C ZINC000131432088 385335192 /nfs/dbraw/zinc/33/51/92/385335192.db2.gz LABSJXDZXBGNME-UHFFFAOYSA-N 0 0 236.340 3.658 10 0 BHAERN CCCNc1cccc(C)c1Br ZINC000131465373 356701357 /nfs/dbraw/zinc/70/13/57/356701357.db2.gz PDXLZNYATDJCMI-UHFFFAOYSA-N 0 0 228.133 3.579 10 0 BHAERN CC(=O)c1ccc(SC2CCCC2)o1 ZINC000131594161 371630871 /nfs/dbraw/zinc/63/08/71/371630871.db2.gz VURZUFITAPVACF-UHFFFAOYSA-N 0 0 210.298 3.517 10 0 BHAERN CCNc1cc(Cl)c(C)cc1Br ZINC000131627877 371636315 /nfs/dbraw/zinc/63/63/15/371636315.db2.gz NHCBNFMVYPXKOX-UHFFFAOYSA-N 0 0 248.551 3.843 10 0 BHAERN Cc1ccc2oc(C(=O)CC(C)C)cc2c1 ZINC000131636913 538597789 /nfs/dbraw/zinc/59/77/89/538597789.db2.gz TZHOLXKVVTUSSP-UHFFFAOYSA-N 0 0 216.280 3.970 10 0 BHAERN CC(C)CC(=O)c1cc2cccc(F)c2o1 ZINC000131637352 538595672 /nfs/dbraw/zinc/59/56/72/538595672.db2.gz NLOKKPPITWCXQL-UHFFFAOYSA-N 0 0 220.243 3.801 10 0 BHAERN CC(C)CC(=O)c1cc2cc(F)ccc2o1 ZINC000131637577 538595654 /nfs/dbraw/zinc/59/56/54/538595654.db2.gz NHFZTMRKCPUJGC-UHFFFAOYSA-N 0 0 220.243 3.801 10 0 BHAERN Cc1cccc2cc(C(=O)CC(C)C)oc21 ZINC000131637968 538596899 /nfs/dbraw/zinc/59/68/99/538596899.db2.gz ZJJGOFQAEFWTJX-UHFFFAOYSA-N 0 0 216.280 3.970 10 0 BHAERN CSCC(=O)c1cc2cc(Cl)ccc2o1 ZINC000131641113 371638172 /nfs/dbraw/zinc/63/81/72/371638172.db2.gz GDHSOQPEFZNRKJ-UHFFFAOYSA-N 0 0 240.711 3.632 10 0 BHAERN CC[C@@H](C)C(=O)c1cc2cc(C)ccc2o1 ZINC000131643505 538596624 /nfs/dbraw/zinc/59/66/24/538596624.db2.gz PJERCESFEMDFMV-SNVBAGLBSA-N 0 0 216.280 3.970 10 0 BHAERN CC[C@H](C)C(=O)c1cc2cc(C)ccc2o1 ZINC000131643706 538596559 /nfs/dbraw/zinc/59/65/59/538596559.db2.gz PJERCESFEMDFMV-JTQLQIEISA-N 0 0 216.280 3.970 10 0 BHAERN CC[C@@H](C)C(=O)c1cc2cccc(F)c2o1 ZINC000131644269 538596336 /nfs/dbraw/zinc/59/63/36/538596336.db2.gz YAZQFGRHHXWSEO-MRVPVSSYSA-N 0 0 220.243 3.801 10 0 BHAERN CC[C@H](C)C(=O)c1cc2cccc(F)c2o1 ZINC000131644473 538596472 /nfs/dbraw/zinc/59/64/72/538596472.db2.gz YAZQFGRHHXWSEO-QMMMGPOBSA-N 0 0 220.243 3.801 10 0 BHAERN CC[C@@H](C)C(=O)c1cc2cc(F)ccc2o1 ZINC000131644685 538597431 /nfs/dbraw/zinc/59/74/31/538597431.db2.gz LXCSUKGLQUIHSW-MRVPVSSYSA-N 0 0 220.243 3.801 10 0 BHAERN CC[C@H](C)C(=O)c1cc2cc(F)ccc2o1 ZINC000131644916 538597243 /nfs/dbraw/zinc/59/72/43/538597243.db2.gz LXCSUKGLQUIHSW-QMMMGPOBSA-N 0 0 220.243 3.801 10 0 BHAERN CC[C@@H](C)C(=O)c1cc2cccc(C)c2o1 ZINC000131645574 538598172 /nfs/dbraw/zinc/59/81/72/538598172.db2.gz CSIKITHXHVBWLI-SECBINFHSA-N 0 0 216.280 3.970 10 0 BHAERN CC[C@H](C)C(=O)c1cc2cccc(C)c2o1 ZINC000131645789 538598000 /nfs/dbraw/zinc/59/80/00/538598000.db2.gz CSIKITHXHVBWLI-VIFPVBQESA-N 0 0 216.280 3.970 10 0 BHAERN Cc1ccc2oc(C(=O)CC3CC3)cc2c1 ZINC000131666701 538597727 /nfs/dbraw/zinc/59/77/27/538597727.db2.gz YJVNLFDHWIXTEM-UHFFFAOYSA-N 0 0 214.264 3.724 10 0 BHAERN O=C(CC1CC1)c1cc2cccc(F)c2o1 ZINC000131667159 538597350 /nfs/dbraw/zinc/59/73/50/538597350.db2.gz FMHJNHLHZSMSBD-UHFFFAOYSA-N 0 0 218.227 3.555 10 0 BHAERN O=C(CC1CC1)c1cc2cc(F)ccc2o1 ZINC000131667373 538597168 /nfs/dbraw/zinc/59/71/68/538597168.db2.gz FZKOKJRDJRMUQM-UHFFFAOYSA-N 0 0 218.227 3.555 10 0 BHAERN Cc1cccc2cc(C(=O)CC3CC3)oc21 ZINC000131667817 538595738 /nfs/dbraw/zinc/59/57/38/538595738.db2.gz XWPYQKQPHJFSTK-UHFFFAOYSA-N 0 0 214.264 3.724 10 0 BHAERN O=C(c1cc2cccc(Cl)c2o1)C(F)F ZINC000131669380 371646881 /nfs/dbraw/zinc/64/68/81/371646881.db2.gz BNOVYCJFAKESDQ-UHFFFAOYSA-N 0 0 230.597 3.534 10 0 BHAERN Nc1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000131825535 369048167 /nfs/dbraw/zinc/04/81/67/369048167.db2.gz RDCLKRMFBIHATF-UHFFFAOYSA-N 0 0 245.134 3.699 10 0 BHAERN CC(=O)CCc1cc2cccc(Cl)c2o1 ZINC000131907723 371709648 /nfs/dbraw/zinc/70/96/48/371709648.db2.gz CDKNZHIMAUGFKB-UHFFFAOYSA-N 0 0 222.671 3.608 10 0 BHAERN CC(C)CCCCNc1nc(C2CC2)ns1 ZINC000131911488 386227728 /nfs/dbraw/zinc/22/77/28/386227728.db2.gz WTCHHHBBRFUXKS-UHFFFAOYSA-N 0 0 239.388 3.654 10 0 BHAERN CC(=O)C[C@H](C)c1cc2ccccc2o1 ZINC000131915404 371713516 /nfs/dbraw/zinc/71/35/16/371713516.db2.gz MXLUGTZNELSFIR-VIFPVBQESA-N 0 0 202.253 3.515 10 0 BHAERN CC(=O)C[C@@H](C)c1cc2ccccc2o1 ZINC000131915595 371712578 /nfs/dbraw/zinc/71/25/78/371712578.db2.gz MXLUGTZNELSFIR-SECBINFHSA-N 0 0 202.253 3.515 10 0 BHAERN Cc1cc(Cl)n(-c2c(F)cccc2Cl)n1 ZINC000131978664 371730631 /nfs/dbraw/zinc/73/06/31/371730631.db2.gz WPPNXQPRONPCKA-UHFFFAOYSA-N 0 0 245.084 3.627 10 0 BHAERN CCNc1cc(Cl)c(C)cc1Cl ZINC000132018502 371741516 /nfs/dbraw/zinc/74/15/16/371741516.db2.gz BOBVNCXFXILSDN-UHFFFAOYSA-N 0 0 204.100 3.734 10 0 BHAERN Clc1ccc(OCc2ccoc2)cc1 ZINC000132075337 346829015 /nfs/dbraw/zinc/82/90/15/346829015.db2.gz OTXRDFVPLWHCCV-UHFFFAOYSA-N 0 0 208.644 3.512 10 0 BHAERN Clc1cccc(OCc2ccoc2)c1 ZINC000132076008 345315349 /nfs/dbraw/zinc/31/53/49/345315349.db2.gz CBMPNQSWOYPOHA-UHFFFAOYSA-N 0 0 208.644 3.512 10 0 BHAERN Cc1cnc(-c2ccc3ccccc3n2)s1 ZINC000132090298 191100909 /nfs/dbraw/zinc/10/09/09/191100909.db2.gz UBPKIWVKDYAOCN-UHFFFAOYSA-N 0 0 226.304 3.667 10 0 BHAERN Cc1cnc(-c2ccc3ncccc3c2)s1 ZINC000132092721 187298147 /nfs/dbraw/zinc/29/81/47/187298147.db2.gz OGSAZZPHTCFNKA-UHFFFAOYSA-N 0 0 226.304 3.667 10 0 BHAERN Cc1cc(Cl)c2c(c1Cl)CCCN2 ZINC000132107525 371754131 /nfs/dbraw/zinc/75/41/31/371754131.db2.gz JUHDWWHQNLRBEW-UHFFFAOYSA-N 0 0 216.111 3.660 10 0 BHAERN Cc1cc(Cl)c(NCCF)cc1Cl ZINC000132112983 371753881 /nfs/dbraw/zinc/75/38/81/371753881.db2.gz LZZFIIDWNDMNBZ-UHFFFAOYSA-N 0 0 222.090 3.683 10 0 BHAERN ON[C@@H](c1cccs1)c1ccc(Cl)s1 ZINC000132122659 345317790 /nfs/dbraw/zinc/31/77/90/345317790.db2.gz DLSXJPYJWNEKFX-VIFPVBQESA-N 0 0 245.756 3.531 10 0 BHAERN ON[C@H](c1cccs1)c1ccc(Cl)s1 ZINC000132122904 371756046 /nfs/dbraw/zinc/75/60/46/371756046.db2.gz DLSXJPYJWNEKFX-SECBINFHSA-N 0 0 245.756 3.531 10 0 BHAERN C[C@H](NO)c1ccc(Cl)c(Cl)c1Cl ZINC000132144876 371757346 /nfs/dbraw/zinc/75/73/46/371757346.db2.gz CJORGJFRAAKIIM-BYPYZUCNSA-N 0 0 240.517 3.687 10 0 BHAERN C[C@@H](NO)c1ccc(Cl)c(Cl)c1Cl ZINC000132145066 371757750 /nfs/dbraw/zinc/75/77/50/371757750.db2.gz CJORGJFRAAKIIM-SCSAIBSYSA-N 0 0 240.517 3.687 10 0 BHAERN CSCCC(=O)c1ccc(Cl)c(C)c1 ZINC000132165239 371759771 /nfs/dbraw/zinc/75/97/71/371759771.db2.gz GRHOMUIXEJPOQD-UHFFFAOYSA-N 0 0 228.744 3.584 10 0 BHAERN Cc1cc(-c2nnc(Cl)s2)ccc1Cl ZINC000132204771 371766522 /nfs/dbraw/zinc/76/65/22/371766522.db2.gz SVZZKIAIGASIHH-UHFFFAOYSA-N 0 0 245.134 3.820 10 0 BHAERN CC(C)c1cnc(-c2ccc(N)cc2)s1 ZINC000132376315 411914632 /nfs/dbraw/zinc/91/46/32/411914632.db2.gz NBCFRMOWNDEVEN-UHFFFAOYSA-N 0 0 218.325 3.516 10 0 BHAERN CC(C)c1cnc(-c2cccc(N)c2)s1 ZINC000132376796 411914497 /nfs/dbraw/zinc/91/44/97/411914497.db2.gz KNDHSKINCIYRBU-UHFFFAOYSA-N 0 0 218.325 3.516 10 0 BHAERN Cc1cc(N)c(Cl)cc1-c1cccs1 ZINC000132409018 371815719 /nfs/dbraw/zinc/81/57/19/371815719.db2.gz YRSDSSBWEKFHOF-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Cc1cccc(NCc2ccccc2)c1F ZINC000132529004 371852932 /nfs/dbraw/zinc/85/29/32/371852932.db2.gz OGXHNBFAGHWZRM-UHFFFAOYSA-N 0 0 215.271 3.746 10 0 BHAERN Nc1c(Cl)cccc1NCc1ccccc1 ZINC000132668328 371888974 /nfs/dbraw/zinc/88/89/74/371888974.db2.gz BFKBODNWDAKPHL-UHFFFAOYSA-N 0 0 232.714 3.534 10 0 BHAERN CC(C)(C)Sc1cccc(Cl)c1N ZINC000132694359 371898288 /nfs/dbraw/zinc/89/82/88/371898288.db2.gz MYZNWBKMGGPWLZ-UHFFFAOYSA-N 0 0 215.749 3.813 10 0 BHAERN CC(C)CSc1cccc(Cl)c1N ZINC000132694588 353386802 /nfs/dbraw/zinc/38/68/02/353386802.db2.gz IIDOMCPDOWEUJS-UHFFFAOYSA-N 0 0 215.749 3.670 10 0 BHAERN CCc1ccc([C@@H](C)Nc2cccc(F)n2)cc1 ZINC000132706384 386249528 /nfs/dbraw/zinc/24/95/28/386249528.db2.gz BCJDJNYAIHUSSZ-LLVKDONJSA-N 0 0 244.313 3.956 10 0 BHAERN CCc1ccc([C@H](C)Nc2cccc(F)n2)cc1 ZINC000132706567 171840300 /nfs/dbraw/zinc/84/03/00/171840300.db2.gz BCJDJNYAIHUSSZ-NSHDSACASA-N 0 0 244.313 3.956 10 0 BHAERN CC[C@@H](C)c1csc(Br)c1N ZINC000132941540 371954800 /nfs/dbraw/zinc/95/48/00/371954800.db2.gz SDTCYVCEXBCDDE-RXMQYKEDSA-N 0 0 234.162 3.606 10 0 BHAERN CC[C@H](C)c1csc(Br)c1N ZINC000132941704 371955059 /nfs/dbraw/zinc/95/50/59/371955059.db2.gz SDTCYVCEXBCDDE-YFKPBYRVSA-N 0 0 234.162 3.606 10 0 BHAERN CC[C@@H]1CCc2sc(Br)c(N)c21 ZINC000132942602 371955037 /nfs/dbraw/zinc/95/50/37/371955037.db2.gz VXCYTBGPCZOYGB-RXMQYKEDSA-N 0 0 246.173 3.533 10 0 BHAERN CC[C@H]1CCc2sc(Br)c(N)c21 ZINC000132942783 371955716 /nfs/dbraw/zinc/95/57/16/371955716.db2.gz VXCYTBGPCZOYGB-YFKPBYRVSA-N 0 0 246.173 3.533 10 0 BHAERN C[C@@H]1CCCc2sc(Br)c(N)c21 ZINC000132944683 371956755 /nfs/dbraw/zinc/95/67/55/371956755.db2.gz VZFMDXHQMNXYOS-RXMQYKEDSA-N 0 0 246.173 3.533 10 0 BHAERN C[C@H]1CCCc2sc(Br)c(N)c21 ZINC000132944876 371956764 /nfs/dbraw/zinc/95/67/64/371956764.db2.gz VZFMDXHQMNXYOS-YFKPBYRVSA-N 0 0 246.173 3.533 10 0 BHAERN Cc1sc(Br)c(N)c1C(C)C ZINC000132950107 353391872 /nfs/dbraw/zinc/39/18/72/353391872.db2.gz MYOZOLUQIHWITE-UHFFFAOYSA-N 0 0 234.162 3.525 10 0 BHAERN CCc1c(N)csc1-c1ccccc1 ZINC000132980965 371962560 /nfs/dbraw/zinc/96/25/60/371962560.db2.gz QVLUMUPZMBAFQD-UHFFFAOYSA-N 0 0 203.310 3.560 10 0 BHAERN CC1(C)CCCc2sc(Cl)c(N)c21 ZINC000132984354 371963894 /nfs/dbraw/zinc/96/38/94/371963894.db2.gz DLSMGSSMWCULDY-UHFFFAOYSA-N 0 0 215.749 3.598 10 0 BHAERN Nc1c(Cl)sc2c1CCCCCC2 ZINC000132985191 371964229 /nfs/dbraw/zinc/96/42/29/371964229.db2.gz XACZUSSGQKQNPN-UHFFFAOYSA-N 0 0 215.749 3.643 10 0 BHAERN Nc1c(Cl)scc1-c1ccccc1 ZINC000132987852 371964252 /nfs/dbraw/zinc/96/42/52/371964252.db2.gz GQAPRCOXXVJXNY-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN C[C@@H]1CCc2sc(Cl)c(N)c2[C@@H]1C ZINC000132988251 353402160 /nfs/dbraw/zinc/40/21/60/353402160.db2.gz QRAZEDFBUJZMCS-PHDIDXHHSA-N 0 0 215.749 3.670 10 0 BHAERN C[C@H]1c2c(N)c(Cl)sc2CC[C@@H]1C ZINC000132988452 371964256 /nfs/dbraw/zinc/96/42/56/371964256.db2.gz QRAZEDFBUJZMCS-NTSWFWBYSA-N 0 0 215.749 3.670 10 0 BHAERN C[C@@H]1CCc2sc(Cl)c(N)c2[C@H]1C ZINC000132988636 371964034 /nfs/dbraw/zinc/96/40/34/371964034.db2.gz QRAZEDFBUJZMCS-RITPCOANSA-N 0 0 215.749 3.670 10 0 BHAERN C[C@H]1CCc2sc(Cl)c(N)c2[C@H]1C ZINC000132988815 371964371 /nfs/dbraw/zinc/96/43/71/371964371.db2.gz QRAZEDFBUJZMCS-WDSKDSINSA-N 0 0 215.749 3.670 10 0 BHAERN C[C@@H]1C[C@H](C)Cc2c(N)c(Cl)sc21 ZINC000132989043 371964275 /nfs/dbraw/zinc/96/42/75/371964275.db2.gz JHXBIWUDMKUDBJ-NTSWFWBYSA-N 0 0 215.749 3.670 10 0 BHAERN C[C@H]1Cc2c(N)c(Cl)sc2[C@H](C)C1 ZINC000132989252 371963498 /nfs/dbraw/zinc/96/34/98/371963498.db2.gz JHXBIWUDMKUDBJ-PHDIDXHHSA-N 0 0 215.749 3.670 10 0 BHAERN C[C@@H]1Cc2c(N)c(Cl)sc2[C@@H](C)C1 ZINC000132989444 371964361 /nfs/dbraw/zinc/96/43/61/371964361.db2.gz JHXBIWUDMKUDBJ-WDSKDSINSA-N 0 0 215.749 3.670 10 0 BHAERN C[C@H]1Cc2c(N)c(Cl)sc2[C@@H](C)C1 ZINC000132989666 353402245 /nfs/dbraw/zinc/40/22/45/353402245.db2.gz JHXBIWUDMKUDBJ-RITPCOANSA-N 0 0 215.749 3.670 10 0 BHAERN C=Cc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000132995911 371966177 /nfs/dbraw/zinc/96/61/77/371966177.db2.gz PBTOMOAUERBROT-UHFFFAOYSA-N 0 0 241.077 3.686 10 0 BHAERN Nc1c(Cl)scc1C1CCCC1 ZINC000132996422 371966254 /nfs/dbraw/zinc/96/62/54/371966254.db2.gz SALOUWYHJCMJLC-UHFFFAOYSA-N 0 0 201.722 3.641 10 0 BHAERN C[C@@H]1C[C@H](C)Cc2sc(Cl)c(N)c21 ZINC000133002009 371965307 /nfs/dbraw/zinc/96/53/07/371965307.db2.gz SJVMYPPZJSRIHD-NTSWFWBYSA-N 0 0 215.749 3.670 10 0 BHAERN C[C@H]1Cc2sc(Cl)c(N)c2[C@H](C)C1 ZINC000133002202 371965952 /nfs/dbraw/zinc/96/59/52/371965952.db2.gz SJVMYPPZJSRIHD-PHDIDXHHSA-N 0 0 215.749 3.670 10 0 BHAERN C[C@@H]1Cc2sc(Cl)c(N)c2[C@@H](C)C1 ZINC000133002407 371966403 /nfs/dbraw/zinc/96/64/03/371966403.db2.gz SJVMYPPZJSRIHD-WDSKDSINSA-N 0 0 215.749 3.670 10 0 BHAERN C[C@H]1Cc2sc(Cl)c(N)c2[C@@H](C)C1 ZINC000133002610 371966409 /nfs/dbraw/zinc/96/64/09/371966409.db2.gz SJVMYPPZJSRIHD-RITPCOANSA-N 0 0 215.749 3.670 10 0 BHAERN CC[C@@H]1CCCc2sc(Cl)c(N)c21 ZINC000133002847 371965454 /nfs/dbraw/zinc/96/54/54/371965454.db2.gz CNPNRQSCWQVFRM-ZCFIWIBFSA-N 0 0 215.749 3.814 10 0 BHAERN CC[C@H]1CCCc2sc(Cl)c(N)c21 ZINC000133003003 371966433 /nfs/dbraw/zinc/96/64/33/371966433.db2.gz CNPNRQSCWQVFRM-LURJTMIESA-N 0 0 215.749 3.814 10 0 BHAERN Nc1cc(-c2ccccc2)sc1Cl ZINC000133004291 345355733 /nfs/dbraw/zinc/35/57/33/345355733.db2.gz UAALSMRPSSFHNE-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Cc1scc(NC(=O)OC(C)(C)C)c1C ZINC000133006201 349329947 /nfs/dbraw/zinc/32/99/47/349329947.db2.gz VYSCJUHNVAHZHL-UHFFFAOYSA-N 0 0 227.329 3.712 10 0 BHAERN CCc1cc(NC(=O)OC(C)(C)C)cs1 ZINC000133006406 371967220 /nfs/dbraw/zinc/96/72/20/371967220.db2.gz SYDVDFXAHUALLL-UHFFFAOYSA-N 0 0 227.329 3.658 10 0 BHAERN CCc1c(C)scc1NC(=O)OC(C)(C)C ZINC000133006812 371966200 /nfs/dbraw/zinc/96/62/00/371966200.db2.gz PGZDHIVGEMNWCI-UHFFFAOYSA-N 0 0 241.356 3.966 10 0 BHAERN CC(C)(C)OC(=O)Nc1csc2c1CCC2 ZINC000133007257 371967264 /nfs/dbraw/zinc/96/72/64/371967264.db2.gz NRJLXRUVBGGDNL-UHFFFAOYSA-N 0 0 239.340 3.584 10 0 BHAERN C[C@H](Nc1nc2ccccc2o1)C(C)(C)C ZINC000133144029 386277432 /nfs/dbraw/zinc/27/74/32/386277432.db2.gz YLQLFPLZXDIOBE-VIFPVBQESA-N 0 0 218.300 3.674 10 0 BHAERN C[C@@H](Nc1nc2ccccc2o1)C(C)(C)C ZINC000133144220 384273406 /nfs/dbraw/zinc/27/34/06/384273406.db2.gz YLQLFPLZXDIOBE-SECBINFHSA-N 0 0 218.300 3.674 10 0 BHAERN C[C@H](Nc1ncnc2sccc21)C(C)(C)C ZINC000133145768 386277377 /nfs/dbraw/zinc/27/73/77/386277377.db2.gz CVRYQFACJBYFTH-QMMMGPOBSA-N 0 0 235.356 3.538 10 0 BHAERN CCC[C@H]1C[C@@H]1[NH2+]Cc1cnc(C(C)C)s1 ZINC000133167898 384233248 /nfs/dbraw/zinc/23/32/48/384233248.db2.gz GEGYOEZCYJUGTC-JQWIXIFHSA-N 0 0 238.400 3.545 10 0 BHAERN CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc(C(C)C)s1 ZINC000133168079 344315032 /nfs/dbraw/zinc/31/50/32/344315032.db2.gz GEGYOEZCYJUGTC-ZYHUDNBSSA-N 0 0 238.400 3.545 10 0 BHAERN CCC[C@H]1C[C@H]1[NH2+]Cc1cnc(C(C)C)s1 ZINC000133168271 384231943 /nfs/dbraw/zinc/23/19/43/384231943.db2.gz GEGYOEZCYJUGTC-CMPLNLGQSA-N 0 0 238.400 3.545 10 0 BHAERN CCN(CC)c1cc(Br)ccc1C ZINC000133288210 372017359 /nfs/dbraw/zinc/01/73/59/372017359.db2.gz UMSIIZAVYPLYFL-UHFFFAOYSA-N 0 0 242.160 3.604 10 0 BHAERN Cc1c[nH]c(-c2ccc(Cl)c(Cl)c2)n1 ZINC000133288705 372016739 /nfs/dbraw/zinc/01/67/39/372016739.db2.gz UYXZASPPBTYARF-UHFFFAOYSA-N 0 0 227.094 3.692 10 0 BHAERN Nc1cccnc1-c1ccc(C2CCC2)cc1 ZINC000133380874 411733394 /nfs/dbraw/zinc/73/33/94/411733394.db2.gz YUMZPILMDJKJOY-UHFFFAOYSA-N 0 0 224.307 3.598 10 0 BHAERN Nc1ccc(-c2ccc(C3CCC3)cc2)cn1 ZINC000133381076 411733252 /nfs/dbraw/zinc/73/32/52/411733252.db2.gz DNJBNVCOGPGORV-UHFFFAOYSA-N 0 0 224.307 3.598 10 0 BHAERN Cc1cc(N)ncc1-c1ccc(C2CCC2)cc1 ZINC000133382999 411733499 /nfs/dbraw/zinc/73/34/99/411733499.db2.gz PUXOCCJAFWIYFX-UHFFFAOYSA-N 0 0 238.334 3.907 10 0 BHAERN Cc1nc(N)ccc1-c1ccc(C2CCC2)cc1 ZINC000133384923 411736419 /nfs/dbraw/zinc/73/64/19/411736419.db2.gz QXNPXHMMBCCQHG-UHFFFAOYSA-N 0 0 238.334 3.907 10 0 BHAERN Nc1ccc(-c2ccc(C3CCC3)cc2)nc1 ZINC000133385789 411736598 /nfs/dbraw/zinc/73/65/98/411736598.db2.gz LANLLOHQEOSTRY-UHFFFAOYSA-N 0 0 224.307 3.598 10 0 BHAERN Nc1ncccc1-c1ccc(C2CCC2)cc1 ZINC000133390981 411736289 /nfs/dbraw/zinc/73/62/89/411736289.db2.gz CIXQMNIWVJMWKJ-UHFFFAOYSA-N 0 0 224.307 3.598 10 0 BHAERN O=Cc1cncc(-c2ccc(C3CCC3)cc2)c1 ZINC000133392025 645864752 /nfs/dbraw/zinc/86/47/52/645864752.db2.gz VFCZZIDPKDUQBR-UHFFFAOYSA-N 0 0 237.302 3.829 10 0 BHAERN Cc1cnc(Cl)cc1OCc1ccccc1 ZINC000133453951 398325138 /nfs/dbraw/zinc/32/51/38/398325138.db2.gz ONSAUSZYJCSMGI-UHFFFAOYSA-N 0 0 233.698 3.622 10 0 BHAERN CC(C)[C@H](O)c1ccc(C(C)(C)C)s1 ZINC000133491459 372061165 /nfs/dbraw/zinc/06/11/65/372061165.db2.gz GPJMTOUBESGEOO-NSHDSACASA-N 0 0 212.358 3.735 10 0 BHAERN CC(C)[C@@H](O)c1ccc(C(C)(C)C)s1 ZINC000133491630 372061344 /nfs/dbraw/zinc/06/13/44/372061344.db2.gz GPJMTOUBESGEOO-LLVKDONJSA-N 0 0 212.358 3.735 10 0 BHAERN CC1(C)CCC[C@H](NOCc2ccccc2)C1 ZINC000133562833 372073254 /nfs/dbraw/zinc/07/32/54/372073254.db2.gz MWJPDXKZMMGKCL-AWEZNQCLSA-N 0 0 233.355 3.677 10 0 BHAERN CC1(C)CCC[C@@H](NOCc2ccccc2)C1 ZINC000133563036 372073267 /nfs/dbraw/zinc/07/32/67/372073267.db2.gz MWJPDXKZMMGKCL-CQSZACIVSA-N 0 0 233.355 3.677 10 0 BHAERN CC1(C)CCC(NOCc2ccccc2)CC1 ZINC000133612851 372082522 /nfs/dbraw/zinc/08/25/22/372082522.db2.gz KVFSAIJATWRJFH-UHFFFAOYSA-N 0 0 233.355 3.677 10 0 BHAERN C[C@H](NOCc1ccccc1)C1CCCCC1 ZINC000133654698 372084863 /nfs/dbraw/zinc/08/48/63/372084863.db2.gz IGVNDGZOAPVQLH-ZDUSSCGKSA-N 0 0 233.355 3.677 10 0 BHAERN C[C@@H](NOCc1ccccc1)C1CCCCC1 ZINC000133654907 372085234 /nfs/dbraw/zinc/08/52/34/372085234.db2.gz IGVNDGZOAPVQLH-CYBMUJFWSA-N 0 0 233.355 3.677 10 0 BHAERN CC(C)N(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)C1CC1 ZINC000133681244 372086826 /nfs/dbraw/zinc/08/68/26/372086826.db2.gz ZPIOAFCXPUAQLE-HUUCEWRRSA-N 0 0 249.398 3.602 10 0 BHAERN CC(C)N(C(=O)[C@H]1C[C@@H]1C1CCCCC1)C1CC1 ZINC000133681437 372086028 /nfs/dbraw/zinc/08/60/28/372086028.db2.gz ZPIOAFCXPUAQLE-CABCVRRESA-N 0 0 249.398 3.602 10 0 BHAERN CC(C)N(C(=O)[C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000133681634 372086168 /nfs/dbraw/zinc/08/61/68/372086168.db2.gz ZPIOAFCXPUAQLE-LSDHHAIUSA-N 0 0 249.398 3.602 10 0 BHAERN CC(C)N(C(=O)[C@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000133681834 372086670 /nfs/dbraw/zinc/08/66/70/372086670.db2.gz ZPIOAFCXPUAQLE-GJZGRUSLSA-N 0 0 249.398 3.602 10 0 BHAERN Cc1cnc(Cl)cc1SC(C)(C)C ZINC000133738860 372099129 /nfs/dbraw/zinc/09/91/29/372099129.db2.gz INEDUTHXHFFSMR-UHFFFAOYSA-N 0 0 215.749 3.934 10 0 BHAERN Cc1cnc(Cl)cc1Sc1ccccn1 ZINC000133743864 372100494 /nfs/dbraw/zinc/10/04/94/372100494.db2.gz BOSSNZMMILCQDV-UHFFFAOYSA-N 0 0 236.727 3.590 10 0 BHAERN Cc1cnc(Cl)cc1SC(C)C ZINC000133750140 372101099 /nfs/dbraw/zinc/10/10/99/372101099.db2.gz PCSAYAHLHHNGJY-UHFFFAOYSA-N 0 0 201.722 3.544 10 0 BHAERN Cc1cnc(Cl)cc1Sc1ccncc1 ZINC000133762027 372104450 /nfs/dbraw/zinc/10/44/50/372104450.db2.gz ZAIIHGZJGLTUDY-UHFFFAOYSA-N 0 0 236.727 3.590 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1ccc(F)cn1 ZINC000133821071 358770238 /nfs/dbraw/zinc/77/02/38/358770238.db2.gz AFPLNDHCZLXOFS-NSHDSACASA-N 0 0 230.286 3.702 10 0 BHAERN Cc1ccccc1N[C@H](C)c1ccc(F)cn1 ZINC000133821275 358769914 /nfs/dbraw/zinc/76/99/14/358769914.db2.gz AFPLNDHCZLXOFS-LLVKDONJSA-N 0 0 230.286 3.702 10 0 BHAERN COC(=O)/C=C(/C)c1ccc(Cl)cc1Cl ZINC000133875693 352633571 /nfs/dbraw/zinc/63/35/71/352633571.db2.gz FYVVJXPIYQIDAC-ALCCZGGFSA-N 0 0 245.105 3.570 10 0 BHAERN COC(=O)/C=C(/C)c1ccc(Cl)c(Cl)c1 ZINC000133888991 582870470 /nfs/dbraw/zinc/87/04/70/582870470.db2.gz DQWBIWVJYJXIAC-ALCCZGGFSA-N 0 0 245.105 3.570 10 0 BHAERN Fc1cc(Cl)ccc1-c1nccs1 ZINC000134021917 353145370 /nfs/dbraw/zinc/14/53/70/353145370.db2.gz JJTCZHXZEDNZBN-UHFFFAOYSA-N 0 0 213.664 3.603 10 0 BHAERN Cc1ncc([C@H](C)Nc2ccccc2C)s1 ZINC000134044386 491161716 /nfs/dbraw/zinc/16/17/16/491161716.db2.gz GOAJNSDSFCTXGZ-JTQLQIEISA-N 0 0 232.352 3.933 10 0 BHAERN Cc1ncc([C@@H](C)Nc2ccccc2C)s1 ZINC000134044604 491161726 /nfs/dbraw/zinc/16/17/26/491161726.db2.gz GOAJNSDSFCTXGZ-SNVBAGLBSA-N 0 0 232.352 3.933 10 0 BHAERN CC[C@H](O)c1ccc(Cl)cc1Br ZINC000134111905 353409792 /nfs/dbraw/zinc/40/97/92/353409792.db2.gz VAJQBIGWXOAYJO-VIFPVBQESA-N 0 0 249.535 3.546 10 0 BHAERN CC[C@@H](O)c1ccc(Cl)cc1Br ZINC000134112105 343186635 /nfs/dbraw/zinc/18/66/35/343186635.db2.gz VAJQBIGWXOAYJO-SECBINFHSA-N 0 0 249.535 3.546 10 0 BHAERN Cc1cccc([C@@H](C)Nc2ccccn2)c1 ZINC000134137280 358780747 /nfs/dbraw/zinc/78/07/47/358780747.db2.gz RHQYCVFMJYWSJZ-GFCCVEGCSA-N 0 0 212.296 3.563 10 0 BHAERN Cc1cccc([C@H](C)Nc2ccccn2)c1 ZINC000134137507 358780923 /nfs/dbraw/zinc/78/09/23/358780923.db2.gz RHQYCVFMJYWSJZ-LBPRGKRZSA-N 0 0 212.296 3.563 10 0 BHAERN Cc1cccc([C@@H](C)N[C@H](C)c2nccs2)c1 ZINC000134218506 358784122 /nfs/dbraw/zinc/78/41/22/358784122.db2.gz OFWSFPFNZMXYLW-VXGBXAGGSA-N 0 0 246.379 3.863 10 0 BHAERN Cc1cccc([C@H](C)N[C@H](C)c2nccs2)c1 ZINC000134218528 358783768 /nfs/dbraw/zinc/78/37/68/358783768.db2.gz OFWSFPFNZMXYLW-NWDGAFQWSA-N 0 0 246.379 3.863 10 0 BHAERN C[C@H](NOCc1ccccc1)c1ccsc1 ZINC000134263677 372189796 /nfs/dbraw/zinc/18/97/96/372189796.db2.gz OQHYKUCTNDHZAG-NSHDSACASA-N 0 0 233.336 3.531 10 0 BHAERN C[C@@H](NOCc1ccccc1)c1ccsc1 ZINC000134263698 372189816 /nfs/dbraw/zinc/18/98/16/372189816.db2.gz OQHYKUCTNDHZAG-LLVKDONJSA-N 0 0 233.336 3.531 10 0 BHAERN CCCCC[C@@H](C)NOCc1ccccc1 ZINC000134263771 372189655 /nfs/dbraw/zinc/18/96/55/372189655.db2.gz LBXYBZQQASIXKI-CYBMUJFWSA-N 0 0 221.344 3.677 10 0 BHAERN CCCCC[C@H](C)NOCc1ccccc1 ZINC000134263788 372189680 /nfs/dbraw/zinc/18/96/80/372189680.db2.gz LBXYBZQQASIXKI-ZDUSSCGKSA-N 0 0 221.344 3.677 10 0 BHAERN Cc1ccncc1N[C@@H](C)CSC(C)(C)C ZINC000134338177 591920203 /nfs/dbraw/zinc/92/02/03/591920203.db2.gz PZBLFRSDBUKLDD-NSHDSACASA-N 0 0 238.400 3.722 10 0 BHAERN Cc1ccncc1N[C@H](C)CSC(C)(C)C ZINC000134338202 591919662 /nfs/dbraw/zinc/91/96/62/591919662.db2.gz PZBLFRSDBUKLDD-LLVKDONJSA-N 0 0 238.400 3.722 10 0 BHAERN CC(C)=CCC[C@H](C)Nc1cnccc1C ZINC000134338538 325354470 /nfs/dbraw/zinc/35/44/70/325354470.db2.gz CBRAZVSMVTYION-ZDUSSCGKSA-N 0 0 218.344 3.937 10 0 BHAERN CC(C)=CCC[C@@H](C)Nc1cnccc1C ZINC000134338560 325354397 /nfs/dbraw/zinc/35/43/97/325354397.db2.gz CBRAZVSMVTYION-CYBMUJFWSA-N 0 0 218.344 3.937 10 0 BHAERN CC(C)C[C@@H](C)Nc1ccc2c(c1)COC2 ZINC000134354078 325354768 /nfs/dbraw/zinc/35/47/68/325354768.db2.gz UPRJSWBQKUETTJ-LLVKDONJSA-N 0 0 219.328 3.563 10 0 BHAERN CC(C)C[C@H](C)Nc1ccc2c(c1)COC2 ZINC000134354100 325354897 /nfs/dbraw/zinc/35/48/97/325354897.db2.gz UPRJSWBQKUETTJ-NSHDSACASA-N 0 0 219.328 3.563 10 0 BHAERN COc1ccc(F)cc1N[C@H](C)CC(C)C ZINC000134355067 325354805 /nfs/dbraw/zinc/35/48/05/325354805.db2.gz PTOMOLLVMHAZBR-SNVBAGLBSA-N 0 0 225.307 3.681 10 0 BHAERN COc1ccc(F)cc1N[C@@H](C)CC(C)C ZINC000134355088 325354945 /nfs/dbraw/zinc/35/49/45/325354945.db2.gz PTOMOLLVMHAZBR-JTQLQIEISA-N 0 0 225.307 3.681 10 0 BHAERN CC[C@@H]1CCCCCN1c1nc(Cl)cs1 ZINC000134370145 372200582 /nfs/dbraw/zinc/20/05/82/372200582.db2.gz WHCSLMUQVUXEDW-SECBINFHSA-N 0 0 244.791 3.956 10 0 BHAERN CC[C@H]1CCCCCN1c1nc(Cl)cs1 ZINC000134370168 372200702 /nfs/dbraw/zinc/20/07/02/372200702.db2.gz WHCSLMUQVUXEDW-VIFPVBQESA-N 0 0 244.791 3.956 10 0 BHAERN COc1ccc(F)c(N[C@@H](C)C(C)(C)C)c1 ZINC000134380952 325356612 /nfs/dbraw/zinc/35/66/12/325356612.db2.gz NYLYEKHCEONXPK-VIFPVBQESA-N 0 0 225.307 3.681 10 0 BHAERN COc1ccc(F)c(N[C@H](C)C(C)(C)C)c1 ZINC000134380970 325356355 /nfs/dbraw/zinc/35/63/55/325356355.db2.gz NYLYEKHCEONXPK-SECBINFHSA-N 0 0 225.307 3.681 10 0 BHAERN CC(C)COc1ccc(Cl)c(F)c1 ZINC000134388067 372202919 /nfs/dbraw/zinc/20/29/19/372202919.db2.gz HZVYAADAHROBHI-UHFFFAOYSA-N 0 0 202.656 3.514 10 0 BHAERN Fc1cc(OCC2CCC2)ccc1Cl ZINC000134392580 345411254 /nfs/dbraw/zinc/41/12/54/345411254.db2.gz CCMPJPUQXBDSTR-UHFFFAOYSA-N 0 0 214.667 3.658 10 0 BHAERN Cc1cccc(N[C@@H](C)c2cncs2)c1F ZINC000134392996 179153214 /nfs/dbraw/zinc/15/32/14/179153214.db2.gz XHIJRLMZQSXLLA-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN Cc1cccc(N[C@H](C)c2cncs2)c1F ZINC000134393019 179157827 /nfs/dbraw/zinc/15/78/27/179157827.db2.gz XHIJRLMZQSXLLA-SECBINFHSA-N 0 0 236.315 3.764 10 0 BHAERN CCC(CC)CNC(=O)C[C@@H](C)C(C)(C)C ZINC000134475011 325360172 /nfs/dbraw/zinc/36/01/72/325360172.db2.gz PQBYFDWAZHLQJV-LLVKDONJSA-N 0 0 227.392 3.611 10 0 BHAERN CCC(CC)CNC(=O)C[C@H](C)C(C)(C)C ZINC000134475026 323024426 /nfs/dbraw/zinc/02/44/26/323024426.db2.gz PQBYFDWAZHLQJV-NSHDSACASA-N 0 0 227.392 3.611 10 0 BHAERN CC[C@@H](C)Nc1ccc(SC)c(F)c1 ZINC000134505568 342859680 /nfs/dbraw/zinc/85/96/80/342859680.db2.gz WDABSLDWNCFMAT-MRVPVSSYSA-N 0 0 213.321 3.758 10 0 BHAERN CC[C@H](C)Nc1ccc(SC)c(F)c1 ZINC000134505587 342859664 /nfs/dbraw/zinc/85/96/64/342859664.db2.gz WDABSLDWNCFMAT-QMMMGPOBSA-N 0 0 213.321 3.758 10 0 BHAERN c1cc(CNc2csc3ccccc23)c[nH]1 ZINC000134538460 134713464 /nfs/dbraw/zinc/71/34/64/134713464.db2.gz HJCUOKLKSZXUKA-UHFFFAOYSA-N 0 0 228.320 3.842 10 0 BHAERN CC[C@@H](C)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000134616441 323025020 /nfs/dbraw/zinc/02/50/20/323025020.db2.gz XSUKHPHVADFWEY-BDAKNGLRSA-N 0 0 225.298 3.742 10 0 BHAERN CC[C@H](C)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000134616462 325367845 /nfs/dbraw/zinc/36/78/45/325367845.db2.gz XSUKHPHVADFWEY-IUCAKERBSA-N 0 0 225.298 3.742 10 0 BHAERN CC[C@@H](C)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000134616483 325367812 /nfs/dbraw/zinc/36/78/12/325367812.db2.gz XSUKHPHVADFWEY-RKDXNWHRSA-N 0 0 225.298 3.742 10 0 BHAERN CC[C@H](C)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000134616505 325367832 /nfs/dbraw/zinc/36/78/32/325367832.db2.gz XSUKHPHVADFWEY-DTWKUNHWSA-N 0 0 225.298 3.742 10 0 BHAERN Clc1nc(C2CCCC2)nc2c1CSC2 ZINC000134646815 342874815 /nfs/dbraw/zinc/87/48/15/342874815.db2.gz QVKPKJLSOPRKER-UHFFFAOYSA-N 0 0 240.759 3.534 10 0 BHAERN Cc1cc(CNc2ccccn2)ccc1Cl ZINC000134650950 178044607 /nfs/dbraw/zinc/04/46/07/178044607.db2.gz NBUNVFGFEJSURO-UHFFFAOYSA-N 0 0 232.714 3.656 10 0 BHAERN CCCOc1ccc2[nH]cc(Cl)c2c1 ZINC000134722850 342878572 /nfs/dbraw/zinc/87/85/72/342878572.db2.gz LEQWDELULWNXIC-UHFFFAOYSA-N 0 0 209.676 3.610 10 0 BHAERN Fc1cc(Br)cc(NC2CCC2)c1 ZINC000134833550 353517465 /nfs/dbraw/zinc/51/74/65/353517465.db2.gz NNONJYFIYQSNJN-UHFFFAOYSA-N 0 0 244.107 3.553 10 0 BHAERN Clc1c2c(nn1C1CCCCC1)CSC2 ZINC000134850913 342902423 /nfs/dbraw/zinc/90/24/23/342902423.db2.gz JGAQUKFYDHWIRQ-UHFFFAOYSA-N 0 0 242.775 3.789 10 0 BHAERN CCC(CC)n1nc2c(c1Cl)CSC2 ZINC000134851036 342902427 /nfs/dbraw/zinc/90/24/27/342902427.db2.gz CWAIJDXFIDHPSX-UHFFFAOYSA-N 0 0 230.764 3.644 10 0 BHAERN Cc1ccc(Br)c(NCCCF)c1 ZINC000134864460 342908566 /nfs/dbraw/zinc/90/85/66/342908566.db2.gz AKWXZBUXWHPQMD-UHFFFAOYSA-N 0 0 246.123 3.529 10 0 BHAERN CCc1cnc([C@@H](C)Nc2cc(C)ccn2)s1 ZINC000135033069 353529376 /nfs/dbraw/zinc/52/93/76/353529376.db2.gz KPJQASMYAHVVSB-SNVBAGLBSA-N 0 0 247.367 3.582 10 0 BHAERN CCc1cnc([C@H](C)Nc2cc(C)ccn2)s1 ZINC000135033089 353529336 /nfs/dbraw/zinc/52/93/36/353529336.db2.gz KPJQASMYAHVVSB-JTQLQIEISA-N 0 0 247.367 3.582 10 0 BHAERN CC(=O)c1ccc(CC(C)C)cc1Cl ZINC000135038847 384489315 /nfs/dbraw/zinc/48/93/15/384489315.db2.gz UIHRMAOGBZBJLM-UHFFFAOYSA-N 0 0 210.704 3.741 10 0 BHAERN CC(=O)c1ccc(-c2ccoc2)cc1Cl ZINC000135038905 384488292 /nfs/dbraw/zinc/48/82/92/384488292.db2.gz FNIVEGBFQRDUFW-UHFFFAOYSA-N 0 0 220.655 3.803 10 0 BHAERN CN(C)c1cccc(C(=O)C2CCCCC2)c1 ZINC000135061203 343668898 /nfs/dbraw/zinc/66/88/98/343668898.db2.gz FHURIMFXITUDDZ-UHFFFAOYSA-N 0 0 231.339 3.516 10 0 BHAERN CC(C)(C)OC(=O)Nc1c(F)cccc1Cl ZINC000135079509 343746291 /nfs/dbraw/zinc/74/62/91/343746291.db2.gz MKXODFYUNHXKSS-UHFFFAOYSA-N 0 0 245.681 3.826 10 0 BHAERN CCC(C)(C)Nc1ncc(Cl)cc1Cl ZINC000135149286 343945185 /nfs/dbraw/zinc/94/51/85/343945185.db2.gz CTSNPTMBRKZYSQ-UHFFFAOYSA-N 0 0 233.142 3.989 10 0 BHAERN Clc1ccc(N2CC[C@H]3CCCC[C@@H]32)nc1 ZINC000135150658 388483527 /nfs/dbraw/zinc/48/35/27/388483527.db2.gz IVGCVZJWBZODCA-PWSUYJOCSA-N 0 0 236.746 3.504 10 0 BHAERN CCCNc1cc(F)c(Br)cc1C ZINC000135228069 343974383 /nfs/dbraw/zinc/97/43/83/343974383.db2.gz VGXOHNSTKNDGAS-UHFFFAOYSA-N 0 0 246.123 3.719 10 0 BHAERN Cc1cccc(F)c1N[C@@H](C)CC(C)C ZINC000135234908 388485934 /nfs/dbraw/zinc/48/59/34/388485934.db2.gz ALIQIVDEPWBIBY-NSHDSACASA-N 0 0 209.308 3.981 10 0 BHAERN Cc1cccc(F)c1N[C@H](C)CC(C)C ZINC000135234927 388486278 /nfs/dbraw/zinc/48/62/78/388486278.db2.gz ALIQIVDEPWBIBY-LLVKDONJSA-N 0 0 209.308 3.981 10 0 BHAERN Fc1cccc(Cl)c1NC1CCCC1 ZINC000135245540 384193301 /nfs/dbraw/zinc/19/33/01/384193301.db2.gz OCJLJSRONDXIRG-UHFFFAOYSA-N 0 0 213.683 3.834 10 0 BHAERN Fc1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)n1 ZINC000135249648 181002128 /nfs/dbraw/zinc/00/21/28/181002128.db2.gz ZMDOEGUYDCXBRR-NWDGAFQWSA-N 0 0 234.318 3.601 10 0 BHAERN Fc1cccc(N[C@H]2CCC[C@H](C3CC3)C2)n1 ZINC000135249668 181002762 /nfs/dbraw/zinc/00/27/62/181002762.db2.gz ZMDOEGUYDCXBRR-RYUDHWBXSA-N 0 0 234.318 3.601 10 0 BHAERN Fc1cccc(N[C@@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000135249684 181002248 /nfs/dbraw/zinc/00/22/48/181002248.db2.gz ZMDOEGUYDCXBRR-VXGBXAGGSA-N 0 0 234.318 3.601 10 0 BHAERN Fc1cccc(N[C@H]2CCC[C@@H](C3CC3)C2)n1 ZINC000135249704 181002334 /nfs/dbraw/zinc/00/23/34/181002334.db2.gz ZMDOEGUYDCXBRR-NEPJUHHUSA-N 0 0 234.318 3.601 10 0 BHAERN Cc1ccc(NCc2ccccc2)cc1N(C)C ZINC000135448881 344395904 /nfs/dbraw/zinc/39/59/04/344395904.db2.gz OAGAZCRULRREJD-UHFFFAOYSA-N 0 0 240.350 3.673 10 0 BHAERN ON(/C=C1/C=Nc2ccccc21)c1ccccc1 ZINC000135708080 344860513 /nfs/dbraw/zinc/86/05/13/344860513.db2.gz YIWOFXAYADWJRK-QXMHVHEDSA-N 0 0 236.274 3.639 10 0 BHAERN C=C(CBr)c1cccc(Cl)c1 ZINC000135757486 345787662 /nfs/dbraw/zinc/78/76/62/345787662.db2.gz ODHBCJBLKRADFK-UHFFFAOYSA-N 0 0 231.520 3.748 10 0 BHAERN O[C@@H](c1ccccc1)c1cccc(-n2cccc2)c1 ZINC000135782752 345788460 /nfs/dbraw/zinc/78/84/60/345788460.db2.gz VSFMFMZASNXWEX-KRWDZBQOSA-N 0 0 249.313 3.559 10 0 BHAERN O[C@H](c1ccccc1)c1cccc(-n2cccc2)c1 ZINC000135782790 345788836 /nfs/dbraw/zinc/78/88/36/345788836.db2.gz VSFMFMZASNXWEX-QGZVFWFLSA-N 0 0 249.313 3.559 10 0 BHAERN Cc1cc2c(s1)Oc1cc(C)ccc1NC2=O ZINC000135807961 345790787 /nfs/dbraw/zinc/79/07/87/345790787.db2.gz OEVXSHGJJCIEJG-UHFFFAOYSA-N 0 0 245.303 3.723 10 0 BHAERN O[C@H]1CCc2ccccc2[C@@H](c2ccccc2)C1 ZINC000135863042 384602158 /nfs/dbraw/zinc/60/21/58/384602158.db2.gz BJSXLWCZUCDAOZ-DOTOQJQBSA-N 0 0 238.330 3.516 10 0 BHAERN CCO/C(=C\c1ccccc1)C(F)(F)F ZINC000135911149 345794248 /nfs/dbraw/zinc/79/42/48/345794248.db2.gz XNECZCDJGYIIFZ-NTMALXAHSA-N 0 0 216.202 3.626 10 0 BHAERN COC(=O)CCCC=C1C2CC3CC(C2)CC1C3 ZINC000135950524 345795702 /nfs/dbraw/zinc/79/57/02/345795702.db2.gz BLUNPTZJLYVNGZ-UHFFFAOYSA-N 0 0 248.366 3.712 10 0 BHAERN Fc1c(F)c(Cl)c(F)c(F)c1Cl ZINC000136081407 353612344 /nfs/dbraw/zinc/61/23/44/353612344.db2.gz HUBUEVKHTMIROY-UHFFFAOYSA-N 0 0 218.964 3.550 10 0 BHAERN COc1cccc(OC)c1/C=C/c1ccccc1 ZINC000136258890 345810447 /nfs/dbraw/zinc/81/04/47/345810447.db2.gz CXYVPZCCKRXMJO-VAWYXSNFSA-N 0 0 240.302 3.874 10 0 BHAERN CC[C@@H]1CC[C@@H](Nc2cccc(CCCO)c2)C1 ZINC000136263161 325448292 /nfs/dbraw/zinc/44/82/92/325448292.db2.gz VHPPMNGFGHEZAS-CZUORRHYSA-N 0 0 247.382 3.602 10 0 BHAERN C=C/C=C/c1cccc(Br)c1 ZINC000136268731 368981335 /nfs/dbraw/zinc/98/13/35/368981335.db2.gz BAEPSASUNUCJFW-HWKANZROSA-N 0 0 209.086 3.648 10 0 BHAERN C[S@](=O)(=Nc1cccs1)c1ccccc1 ZINC000136300069 349008877 /nfs/dbraw/zinc/00/88/77/349008877.db2.gz HAXHQFAWNMNEPC-OAHLLOKOSA-N 0 0 237.349 3.537 10 0 BHAERN C[S@@](=O)(=Nc1cccs1)c1ccccc1 ZINC000136300107 349009526 /nfs/dbraw/zinc/00/95/26/349009526.db2.gz HAXHQFAWNMNEPC-HNNXBMFYSA-N 0 0 237.349 3.537 10 0 BHAERN Nc1ccc(O)c(/C=C\CCc2ccccc2)c1 ZINC000136341215 345812698 /nfs/dbraw/zinc/81/26/98/345812698.db2.gz CTRGOZDGSLLWJV-UITAMQMPSA-N 0 0 239.318 3.620 10 0 BHAERN Cc1cc2c(cc1C)NC(C)(C)CC(C)=N2 ZINC000136359478 168137997 /nfs/dbraw/zinc/13/79/97/168137997.db2.gz SEXAXOCCODCCEB-UHFFFAOYSA-N 0 0 216.328 3.990 10 0 BHAERN COCOc1ccccc1/C=C/c1ccccc1 ZINC000136369499 345813414 /nfs/dbraw/zinc/81/34/14/345813414.db2.gz BHUZHNASHGJJTE-VAWYXSNFSA-N 0 0 240.302 3.840 10 0 BHAERN Br/C=C1\CCCc2ccccc21 ZINC000136487763 345814915 /nfs/dbraw/zinc/81/49/15/345814915.db2.gz BAVGZXSPKZVWTK-CSKARUKUSA-N 0 0 223.113 3.759 10 0 BHAERN C=C(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000136507210 345814822 /nfs/dbraw/zinc/81/48/22/345814822.db2.gz KSMRFPKIISBZTP-UHFFFAOYSA-N 0 0 240.302 3.765 10 0 BHAERN CC(C)[C@@H](C)NC(=O)CC[C@@H](C)c1ccccc1 ZINC000136573230 325460809 /nfs/dbraw/zinc/46/08/09/325460809.db2.gz ZOGUJRCVKZKTSK-ZIAGYGMSSA-N 0 0 247.382 3.731 10 0 BHAERN CC(C)[C@H](C)NC(=O)CC[C@@H](C)c1ccccc1 ZINC000136573291 388541327 /nfs/dbraw/zinc/54/13/27/388541327.db2.gz ZOGUJRCVKZKTSK-KGLIPLIRSA-N 0 0 247.382 3.731 10 0 BHAERN CC(C)[C@@H](C)NC(=O)CC[C@H](C)c1ccccc1 ZINC000136573328 388541253 /nfs/dbraw/zinc/54/12/53/388541253.db2.gz ZOGUJRCVKZKTSK-UONOGXRCSA-N 0 0 247.382 3.731 10 0 BHAERN CC(C)[C@H](C)NC(=O)CC[C@H](C)c1ccccc1 ZINC000136573375 388540626 /nfs/dbraw/zinc/54/06/26/388540626.db2.gz ZOGUJRCVKZKTSK-KBPBESRZSA-N 0 0 247.382 3.731 10 0 BHAERN C=C/C=C/c1ccc(Br)cc1 ZINC000136667081 345817614 /nfs/dbraw/zinc/81/76/14/345817614.db2.gz JRUZITJCWMCOHK-ONEGZZNKSA-N 0 0 209.086 3.648 10 0 BHAERN O=C(C[C@H]1C=CCCC1)c1ccccc1 ZINC000136682774 346270516 /nfs/dbraw/zinc/27/05/16/346270516.db2.gz VJKXCTYXYPAFBY-LBPRGKRZSA-N 0 0 200.281 3.616 10 0 BHAERN O=C(C[C@@H]1C=CCCC1)c1ccccc1 ZINC000136682796 346270493 /nfs/dbraw/zinc/27/04/93/346270493.db2.gz VJKXCTYXYPAFBY-GFCCVEGCSA-N 0 0 200.281 3.616 10 0 BHAERN CCOC(=O)/C(=C/CC(C)C)Cc1ccccc1 ZINC000136713072 345818763 /nfs/dbraw/zinc/81/87/63/345818763.db2.gz BSSZILJOASTMBA-RVDMUPIBSA-N 0 0 246.350 3.765 10 0 BHAERN Oc1ccccc1/C=C/c1ccccc1F ZINC000136740174 364488394 /nfs/dbraw/zinc/48/83/94/364488394.db2.gz YXFPTKCDAYOWAU-MDZDMXLPSA-N 0 0 214.239 3.702 10 0 BHAERN Nc1ccc(-c2nc3c(cccc3F)s2)cc1 ZINC000136743501 356418772 /nfs/dbraw/zinc/41/87/72/356418772.db2.gz PIHNGKFWWSAHPY-UHFFFAOYSA-N 0 0 244.294 3.685 10 0 BHAERN COc1cccc(/C=C/c2cccc(O)c2)c1 ZINC000136752291 345819392 /nfs/dbraw/zinc/81/93/92/345819392.db2.gz LIVMENHPEPJTJV-CMDGGOBGSA-N 0 0 226.275 3.571 10 0 BHAERN Oc1cccc(/C=C/c2cc(F)cc(F)c2)c1 ZINC000136758752 345819636 /nfs/dbraw/zinc/81/96/36/345819636.db2.gz ZGVYETHIQMRLFD-SNAWJCMRSA-N 0 0 232.229 3.841 10 0 BHAERN Cc1cc2cccc(Br)c2nc1C ZINC000136763153 541487577 /nfs/dbraw/zinc/48/75/77/541487577.db2.gz AHVHPLBNPGJZAN-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN C(NC1CCCCC1)=C1C=Nc2ccccc21 ZINC000136856737 200706249 /nfs/dbraw/zinc/70/62/49/200706249.db2.gz MNQCGLAMLFZYLS-BENRWUELSA-N 0 0 226.323 3.666 10 0 BHAERN CC1(C)C=Cc2c(Br)cccc2O1 ZINC000136994711 345835778 /nfs/dbraw/zinc/83/57/78/345835778.db2.gz SEVYZSHMTAYXPA-UHFFFAOYSA-N 0 0 239.112 3.633 10 0 BHAERN Cc1ccc([C@@H]2CCc3ccccc3C2=O)cc1 ZINC000137008761 345829611 /nfs/dbraw/zinc/82/96/11/345829611.db2.gz VDNVEEPAOFLPLA-INIZCTEOSA-N 0 0 236.314 3.908 10 0 BHAERN Cc1ccc([C@H]2CCc3ccccc3C2=O)cc1 ZINC000137008798 345829515 /nfs/dbraw/zinc/82/95/15/345829515.db2.gz VDNVEEPAOFLPLA-MRXNPFEDSA-N 0 0 236.314 3.908 10 0 BHAERN O=C1CCc2cc(-c3cccs3)ccc21 ZINC000137071590 345831532 /nfs/dbraw/zinc/83/15/32/345831532.db2.gz WYVVGSFFZKUEPA-UHFFFAOYSA-N 0 0 214.289 3.544 10 0 BHAERN CCCc1cc(C(=O)CC)cc(CCC)c1O ZINC000137090063 345831972 /nfs/dbraw/zinc/83/19/72/345831972.db2.gz HLCUBQBQGVLRKT-UHFFFAOYSA-N 0 0 234.339 3.890 10 0 BHAERN Clc1c2ccccc2ccc1C1OCCO1 ZINC000137090368 345832801 /nfs/dbraw/zinc/83/28/01/345832801.db2.gz OUWSWXWPYAZPST-UHFFFAOYSA-N 0 0 234.682 3.539 10 0 BHAERN O=c1cc(C2CCCCC2)oc2ccc(O)cc12 ZINC000137127155 356423063 /nfs/dbraw/zinc/42/30/63/356423063.db2.gz SONNBGUXBAGWSV-UHFFFAOYSA-N 0 0 244.290 3.546 10 0 BHAERN Cc1ccccc1SC(=O)c1ccccc1 ZINC000137146558 345836505 /nfs/dbraw/zinc/83/65/05/345836505.db2.gz TWAIFVGKEWEPRA-UHFFFAOYSA-N 0 0 228.316 3.928 10 0 BHAERN FC(F)=C(F)c1ccc(Br)cc1 ZINC000137213989 345589541 /nfs/dbraw/zinc/58/95/41/345589541.db2.gz FGTZNLPVKLROEL-UHFFFAOYSA-N 0 0 237.018 3.984 10 0 BHAERN Clc1ccccc1/C=C\Br ZINC000137247870 368991522 /nfs/dbraw/zinc/99/15/22/368991522.db2.gz GPCNKFPFMMMJBW-WAYWQWQTSA-N 0 0 217.493 3.706 10 0 BHAERN C=Cc1ccc(Cl)c(Br)c1 ZINC000137268894 538870992 /nfs/dbraw/zinc/87/09/92/538870992.db2.gz SOKQAEGVZBUORN-UHFFFAOYSA-N 0 0 217.493 3.746 10 0 BHAERN CCOC(=O)CC1CC(C)(C)CC(C)(C)C1 ZINC000137289737 345841652 /nfs/dbraw/zinc/84/16/52/345841652.db2.gz JBBJFKIJUJEHRH-UHFFFAOYSA-N 0 0 226.360 3.792 10 0 BHAERN c1ccc(CCCc2n[nH]c3ccccc32)cc1 ZINC000137336800 183391675 /nfs/dbraw/zinc/39/16/75/183391675.db2.gz IAGLRBRADHLSBJ-UHFFFAOYSA-N 0 0 236.318 3.738 10 0 BHAERN COc1ccccc1-c1cccc2[nH]ccc21 ZINC000137345523 355804210 /nfs/dbraw/zinc/80/42/10/355804210.db2.gz YHFJGMLKQZVLFD-UHFFFAOYSA-N 0 0 223.275 3.844 10 0 BHAERN Cc1cc(-c2cccc3ccccc32)n[nH]1 ZINC000137480200 345846312 /nfs/dbraw/zinc/84/63/12/345846312.db2.gz UJPVUTRYEPIDFE-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN Cc1cc(-c2ccc3ccccc3c2)n[nH]1 ZINC000137495444 345641465 /nfs/dbraw/zinc/64/14/65/345641465.db2.gz WCNNOCMRBLVGRU-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN CCc1cc(Br)c(F)c(CC)c1 ZINC000137526655 368995824 /nfs/dbraw/zinc/99/58/24/368995824.db2.gz XZJMURPQNZKDOO-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN C=CCCCc1ccccc1Br ZINC000137550865 345847814 /nfs/dbraw/zinc/84/78/14/345847814.db2.gz FULQQCDDNIHZAS-UHFFFAOYSA-N 0 0 225.129 3.958 10 0 BHAERN C=C[C@H](C)c1ccc(Br)cc1 ZINC000137620067 353811002 /nfs/dbraw/zinc/81/10/02/353811002.db2.gz NJOFFNYASNOOEJ-QMMMGPOBSA-N 0 0 211.102 3.739 10 0 BHAERN COc1ccc(-c2ccc(F)c(F)c2)c(F)c1 ZINC000137659284 592208728 /nfs/dbraw/zinc/20/87/28/592208728.db2.gz ZAROQOBNLKHPLD-UHFFFAOYSA-N 0 0 238.208 3.780 10 0 BHAERN CCc1cccc(Br)c1CC ZINC000137680497 353811593 /nfs/dbraw/zinc/81/15/93/353811593.db2.gz JPKWEUUFKQBQGU-UHFFFAOYSA-N 0 0 213.118 3.574 10 0 BHAERN OCCCCCCCCCCc1ccccn1 ZINC000137731973 345849247 /nfs/dbraw/zinc/84/92/47/345849247.db2.gz BALSDZOFVOWCMO-UHFFFAOYSA-N 0 0 235.371 3.737 10 0 BHAERN CCn1c2ccc(C)cc2c2cc(CO)ccc21 ZINC000137744658 345850020 /nfs/dbraw/zinc/85/00/20/345850020.db2.gz BGSLTSFEYRQMDR-UHFFFAOYSA-N 0 0 239.318 3.615 10 0 BHAERN CC[C@@H](C)C=C(Br)Br ZINC000137745168 345692323 /nfs/dbraw/zinc/69/23/23/345692323.db2.gz PPVHYRCRKWRZIP-RXMQYKEDSA-N 0 0 241.954 3.664 10 0 BHAERN CCC[C@@H]1CCc2ccc(F)c(F)c2C1 ZINC000137755501 345849713 /nfs/dbraw/zinc/84/97/13/345849713.db2.gz RDUWIEHUOFTKSA-SECBINFHSA-N 0 0 210.267 3.870 10 0 BHAERN CCC[C@H]1CCc2ccc(F)c(F)c2C1 ZINC000137755604 345693098 /nfs/dbraw/zinc/69/30/98/345693098.db2.gz RDUWIEHUOFTKSA-VIFPVBQESA-N 0 0 210.267 3.870 10 0 BHAERN CCCC[C@@H](Cc1ccccc1)C(=O)OCC ZINC000137760537 357694741 /nfs/dbraw/zinc/69/47/41/357694741.db2.gz OQLMPDAAEFXCLE-AWEZNQCLSA-N 0 0 234.339 3.599 10 0 BHAERN CCCC[C@H](Cc1ccccc1)C(=O)OCC ZINC000137760630 357696174 /nfs/dbraw/zinc/69/61/74/357696174.db2.gz OQLMPDAAEFXCLE-CQSZACIVSA-N 0 0 234.339 3.599 10 0 BHAERN Cc1ccc(C)c(CSc2ncccc2O)c1 ZINC000137827419 384549710 /nfs/dbraw/zinc/54/97/10/384549710.db2.gz LXWBPNCRFBCIHV-UHFFFAOYSA-N 0 0 245.347 3.696 10 0 BHAERN CSc1ccc(C(=O)CC(F)(F)F)cc1 ZINC000137854313 358005919 /nfs/dbraw/zinc/00/59/19/358005919.db2.gz XGZUSWGIBBVZQV-UHFFFAOYSA-N 0 0 234.242 3.544 10 0 BHAERN CC(=O)CC(C)(C)CCCCOC(C)(C)C ZINC000138091977 342754484 /nfs/dbraw/zinc/75/44/84/342754484.db2.gz VPAZLFHJQVJOMG-UHFFFAOYSA-N 0 0 228.376 3.977 10 0 BHAERN Nc1nc2ccccc2c2cc(Cl)ccc12 ZINC000138092325 342754487 /nfs/dbraw/zinc/75/44/87/342754487.db2.gz ICUCMJQHTPTNMX-UHFFFAOYSA-N 0 0 228.682 3.624 10 0 BHAERN FC(F)=Cc1ccc(C(F)(F)F)cc1 ZINC000138094886 342756483 /nfs/dbraw/zinc/75/64/83/342756483.db2.gz JIWCUVZAFNTMKI-UHFFFAOYSA-N 0 0 208.129 3.943 10 0 BHAERN O=c1oc2ccccc2c2ccc(Cl)cc12 ZINC000138097162 345759439 /nfs/dbraw/zinc/75/94/39/345759439.db2.gz OQBKGHVDBHMPFJ-UHFFFAOYSA-N 0 0 230.650 3.600 10 0 BHAERN CC(C)CCC(=O)c1nc(C(C)C)cs1 ZINC000138117254 342779519 /nfs/dbraw/zinc/77/95/19/342779519.db2.gz BMKDWWPWEDIPNF-UHFFFAOYSA-N 0 0 225.357 3.885 10 0 BHAERN Fc1ccc2ccccc2c1Br ZINC000138258038 388617499 /nfs/dbraw/zinc/61/74/99/388617499.db2.gz AVHQKZJSBJWEGU-UHFFFAOYSA-N 0 0 225.060 3.741 10 0 BHAERN Fc1ccc2c(F)c(F)c(F)c(F)c2c1F ZINC000138300394 342815646 /nfs/dbraw/zinc/81/56/46/342815646.db2.gz AQHJZQNRAWNMKF-UHFFFAOYSA-N 0 0 236.114 3.674 10 0 BHAERN COc1ccc2c3cc(C(C)=O)oc3ccc2c1 ZINC000138309421 360553583 /nfs/dbraw/zinc/55/35/83/360553583.db2.gz LSEFIHNEPNXGCR-UHFFFAOYSA-N 0 0 240.258 3.797 10 0 BHAERN Cc1nc2cc(C)c(Br)cc2s1 ZINC000138330910 360571224 /nfs/dbraw/zinc/57/12/24/360571224.db2.gz HAFVLYMSCHNSRD-UHFFFAOYSA-N 0 0 242.141 3.676 10 0 BHAERN COc1ccc(-c2cccs2)cc1F ZINC000138490945 592281313 /nfs/dbraw/zinc/28/13/13/592281313.db2.gz QEMRWYAEHQMXPC-UHFFFAOYSA-N 0 0 208.257 3.563 10 0 BHAERN COc1ccc([C@@H](C)c2ccccc2)c(OC)c1 ZINC000138582962 360945365 /nfs/dbraw/zinc/94/53/65/360945365.db2.gz KCKJLSRMUJHUNL-LBPRGKRZSA-N 0 0 242.318 3.856 10 0 BHAERN COc1ccc([C@H](C)c2ccccc2)c(OC)c1 ZINC000138583092 360945554 /nfs/dbraw/zinc/94/55/54/360945554.db2.gz KCKJLSRMUJHUNL-GFCCVEGCSA-N 0 0 242.318 3.856 10 0 BHAERN O[C@H]1C[C@H](c2ccccc2)c2ccc(Cl)cc21 ZINC000138629299 342978601 /nfs/dbraw/zinc/97/86/01/342978601.db2.gz NVZAYUDBSXWJKD-HIFRSBDPSA-N 0 0 244.721 3.909 10 0 BHAERN O[C@@H]1C[C@H](c2ccccc2)c2ccc(Cl)cc21 ZINC000138629448 369009013 /nfs/dbraw/zinc/00/90/13/369009013.db2.gz NVZAYUDBSXWJKD-UKRRQHHQSA-N 0 0 244.721 3.909 10 0 BHAERN O=C1Nc2cccc(F)c2Sc2ccccc21 ZINC000138631010 342978531 /nfs/dbraw/zinc/97/85/31/342978531.db2.gz CYFQPRTXSXCSKB-UHFFFAOYSA-N 0 0 245.278 3.543 10 0 BHAERN Cc1cc(OC2CCCC2)c2cccc(O)c2n1 ZINC000138661315 342985360 /nfs/dbraw/zinc/98/53/60/342985360.db2.gz FSZSWMIHAOSEMS-UHFFFAOYSA-N 0 0 243.306 3.570 10 0 BHAERN C[C@@H]1CCNc2c(Cl)cc(Cl)cc21 ZINC000138759211 356427323 /nfs/dbraw/zinc/42/73/23/356427323.db2.gz ZZGYPSUESLRINK-ZCFIWIBFSA-N 0 0 216.111 3.913 10 0 BHAERN C[C@H]1CCNc2c(Cl)cc(Cl)cc21 ZINC000138759338 342674613 /nfs/dbraw/zinc/67/46/13/342674613.db2.gz ZZGYPSUESLRINK-LURJTMIESA-N 0 0 216.111 3.913 10 0 BHAERN Fc1cccc(Oc2cccc(F)c2)c1 ZINC000138769483 344324960 /nfs/dbraw/zinc/32/49/60/344324960.db2.gz SXOMQCWKYXDRAM-UHFFFAOYSA-N 0 0 206.191 3.757 10 0 BHAERN Oc1ccc([C@H]2Nc3ccccc3S2)cc1 ZINC000138769830 384686610 /nfs/dbraw/zinc/68/66/10/384686610.db2.gz LZLSKJZBPKUIAU-ZDUSSCGKSA-N 0 0 229.304 3.609 10 0 BHAERN Oc1ccc([C@@H]2Nc3ccccc3S2)cc1 ZINC000138769947 384687802 /nfs/dbraw/zinc/68/78/02/384687802.db2.gz LZLSKJZBPKUIAU-CYBMUJFWSA-N 0 0 229.304 3.609 10 0 BHAERN FC(F)=Cc1cccc(C(F)(F)F)c1 ZINC000138787282 343025208 /nfs/dbraw/zinc/02/52/08/343025208.db2.gz KOMJDHGPBRKGBJ-UHFFFAOYSA-N 0 0 208.129 3.943 10 0 BHAERN CCCCc1c(F)c(F)c(F)c(F)c1F ZINC000138789210 343025212 /nfs/dbraw/zinc/02/52/12/343025212.db2.gz POPHPQHEFYSJBE-UHFFFAOYSA-N 0 0 224.172 3.725 10 0 BHAERN O=Cc1cc(Cl)cc(C(F)(F)F)c1Cl ZINC000138846582 369012840 /nfs/dbraw/zinc/01/28/40/369012840.db2.gz YHNGJFDPLMJBLS-UHFFFAOYSA-N 0 0 243.011 3.825 10 0 BHAERN O=Cc1cc(Cl)c(C(F)(F)F)cc1Cl ZINC000138847875 361175811 /nfs/dbraw/zinc/17/58/11/361175811.db2.gz KIAPMMJMRZCKNU-UHFFFAOYSA-N 0 0 243.011 3.825 10 0 BHAERN O[C@@H](/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000138869658 361179705 /nfs/dbraw/zinc/17/97/05/361179705.db2.gz CRYWRCDREPNGIL-VQCVXAJWSA-N 0 0 228.266 3.573 10 0 BHAERN CCc1ccc([C@H](C)NC(=O)C(CC)CC)cc1 ZINC000138881315 487619084 /nfs/dbraw/zinc/61/90/84/487619084.db2.gz WBJWPKGMKBJMQY-LBPRGKRZSA-N 0 0 247.382 3.862 10 0 BHAERN Cc1cc(NC(=O)OC(C)(C)C)ccc1Cl ZINC000138893542 361366372 /nfs/dbraw/zinc/36/63/72/361366372.db2.gz MQEFECQFEVCAJQ-UHFFFAOYSA-N 0 0 241.718 3.995 10 0 BHAERN O=CC1c2ccccc2C=Cc2ccccc21 ZINC000138946255 343250053 /nfs/dbraw/zinc/25/00/53/343250053.db2.gz YDTTZEFBXDZJEL-UHFFFAOYSA-N 0 0 220.271 3.501 10 0 BHAERN Oc1ccc(Oc2cccc3[nH]ccc32)cc1 ZINC000139031184 368346704 /nfs/dbraw/zinc/34/67/04/368346704.db2.gz UXYZIGAMJMWLBP-UHFFFAOYSA-N 0 0 225.247 3.666 10 0 BHAERN Clc1cccc(/C=C/[C@@H]2CCCO2)c1 ZINC000139031797 385259846 /nfs/dbraw/zinc/25/98/46/385259846.db2.gz POBIMSCWRYFOIO-SYTKJHMZSA-N 0 0 208.688 3.532 10 0 BHAERN Clc1cccc(/C=C/[C@H]2CCCO2)c1 ZINC000139031899 369015591 /nfs/dbraw/zinc/01/55/91/369015591.db2.gz POBIMSCWRYFOIO-NNNHXZLVSA-N 0 0 208.688 3.532 10 0 BHAERN Clc1cccc(/C=C\[C@@H]2CCCO2)c1 ZINC000139046486 343277579 /nfs/dbraw/zinc/27/75/79/343277579.db2.gz POBIMSCWRYFOIO-DGMVEKRQSA-N 0 0 208.688 3.532 10 0 BHAERN Clc1cccc(/C=C\[C@H]2CCCO2)c1 ZINC000139046602 343277421 /nfs/dbraw/zinc/27/74/21/343277421.db2.gz POBIMSCWRYFOIO-ZHRWSRJISA-N 0 0 208.688 3.532 10 0 BHAERN CC(C)c1ccc(-c2cc(Cl)nc(N)n2)cc1 ZINC000139133682 343277390 /nfs/dbraw/zinc/27/73/90/343277390.db2.gz VTDVBNJEUBCBCS-UHFFFAOYSA-N 0 0 247.729 3.503 10 0 BHAERN N#Cc1c(F)c(C#N)c(Cl)c(Cl)c1Cl ZINC000139163485 384604472 /nfs/dbraw/zinc/60/44/72/384604472.db2.gz TVWLHONALBNZHU-UHFFFAOYSA-N 0 0 249.459 3.529 10 0 BHAERN COc1c(C=O)cccc1-c1ccc(C)c(C)c1 ZINC000139220750 343278509 /nfs/dbraw/zinc/27/85/09/343278509.db2.gz OJURTZDANNAQAR-UHFFFAOYSA-N 0 0 240.302 3.792 10 0 BHAERN CCCCC/C=C/[C@H](O)C(Cl)(Cl)Cl ZINC000139239250 343279187 /nfs/dbraw/zinc/27/91/87/343279187.db2.gz GZCNWRBMRMPFEA-CZEYKFRCSA-N 0 0 245.577 3.854 10 0 BHAERN CCCCC/C=C/[C@@H](O)C(Cl)(Cl)Cl ZINC000139239370 343279141 /nfs/dbraw/zinc/27/91/41/343279141.db2.gz GZCNWRBMRMPFEA-HYDMIIDASA-N 0 0 245.577 3.854 10 0 BHAERN FC(F)=C(F)C(F)(F)C1CCCC1 ZINC000139293908 384610393 /nfs/dbraw/zinc/61/03/93/384610393.db2.gz WTOCLZCENHXRPU-UHFFFAOYSA-N 0 0 200.150 3.890 10 0 BHAERN Fc1cc(C(F)(F)F)ccc1-c1ccccn1 ZINC000139337081 409791757 /nfs/dbraw/zinc/79/17/57/409791757.db2.gz WWYNBPHOMYEYOQ-UHFFFAOYSA-N 0 0 241.187 3.907 10 0 BHAERN Cc1cc(Cl)c(F)cc1C(F)(F)F ZINC000139339111 361758625 /nfs/dbraw/zinc/75/86/25/361758625.db2.gz PAXRXILBXUGFPN-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Fc1cccc2c1cccc2C(F)(F)F ZINC000139352640 361775511 /nfs/dbraw/zinc/77/55/11/361775511.db2.gz ROLGUYQBXJMQAK-UHFFFAOYSA-N 0 0 214.161 3.998 10 0 BHAERN Fc1cccc2ccc(C(F)(F)F)cc12 ZINC000139352770 361776502 /nfs/dbraw/zinc/77/65/02/361776502.db2.gz BPIVDLKKHWXMLM-UHFFFAOYSA-N 0 0 214.161 3.998 10 0 BHAERN Fc1ccc2ccc(C(F)(F)F)cc2c1 ZINC000139352898 361776473 /nfs/dbraw/zinc/77/64/73/361776473.db2.gz GUMJBHAYCAWIBE-UHFFFAOYSA-N 0 0 214.161 3.998 10 0 BHAERN Fc1ccc2cc(C(F)(F)F)ccc2c1 ZINC000139353024 361776359 /nfs/dbraw/zinc/77/63/59/361776359.db2.gz LJCAKTXGYWVKQM-UHFFFAOYSA-N 0 0 214.161 3.998 10 0 BHAERN Fc1ccc2cccc(C(F)(F)F)c2c1 ZINC000139390531 361878423 /nfs/dbraw/zinc/87/84/23/361878423.db2.gz NTOFDPIHWWMHCZ-UHFFFAOYSA-N 0 0 214.161 3.998 10 0 BHAERN c1c2c([nH]c1-c1ccccc1)CC=CC=C2 ZINC000139419387 188319188 /nfs/dbraw/zinc/31/91/88/188319188.db2.gz HTJNXXUXMRWWPT-UHFFFAOYSA-N 0 0 207.276 3.807 10 0 BHAERN Cc1cc(Br)c2ccccc2c1O ZINC000139467821 363989085 /nfs/dbraw/zinc/98/90/85/363989085.db2.gz YFTAFANUSIABTF-UHFFFAOYSA-N 0 0 237.096 3.616 10 0 BHAERN CC(C)(C)c1cc(Br)ccc1F ZINC000139484087 364019820 /nfs/dbraw/zinc/01/98/20/364019820.db2.gz RVQBJTCDBIAONK-UHFFFAOYSA-N 0 0 231.108 3.886 10 0 BHAERN Br/C=C1/CCCc2ccccc21 ZINC000139529550 343065768 /nfs/dbraw/zinc/06/57/68/343065768.db2.gz BAVGZXSPKZVWTK-NTMALXAHSA-N 0 0 223.113 3.759 10 0 BHAERN Cc1ccccc1-c1ccc2c(c1)CCC2=O ZINC000139605919 345799590 /nfs/dbraw/zinc/79/95/90/345799590.db2.gz DTZQWBJWKBUVNX-UHFFFAOYSA-N 0 0 222.287 3.791 10 0 BHAERN Cc1cccc(-c2ccc3c(c2)CCC3=O)c1 ZINC000139606055 345799488 /nfs/dbraw/zinc/79/94/88/345799488.db2.gz VJNKRQPWWCIMAC-UHFFFAOYSA-N 0 0 222.287 3.791 10 0 BHAERN CCP(CC)c1ccccc1Br ZINC000139657977 343066931 /nfs/dbraw/zinc/06/69/31/343066931.db2.gz BVTRVXGWNOAGEM-UHFFFAOYSA-N 0 0 245.100 3.596 10 0 BHAERN C=C(NC1CCCCC1)c1cc(F)cc(F)c1 ZINC000139673914 344432103 /nfs/dbraw/zinc/43/21/03/344432103.db2.gz FGXMWSNQEJTQFW-UHFFFAOYSA-N 0 0 237.293 3.858 10 0 BHAERN CCCCC(=O)[C@@H](CC)c1ccccc1 ZINC000139696501 364536560 /nfs/dbraw/zinc/53/65/60/364536560.db2.gz DDBSSGBEHAZLKB-ZDUSSCGKSA-N 0 0 204.313 3.940 10 0 BHAERN CCCCC(=O)[C@H](CC)c1ccccc1 ZINC000139696571 364535949 /nfs/dbraw/zinc/53/59/49/364535949.db2.gz DDBSSGBEHAZLKB-CYBMUJFWSA-N 0 0 204.313 3.940 10 0 BHAERN Cc1[nH]c2ccc(O)cc2c1Cc1ccccc1 ZINC000139762292 384770076 /nfs/dbraw/zinc/77/00/76/384770076.db2.gz WQHHWZMKKUFCHH-UHFFFAOYSA-N 0 0 237.302 3.773 10 0 BHAERN CCCCCCc1cc2c(cc1OC)C(=O)CC2 ZINC000139767464 344456107 /nfs/dbraw/zinc/45/61/07/344456107.db2.gz PSGFJLHQSYXWHW-UHFFFAOYSA-N 0 0 246.350 3.947 10 0 BHAERN Fc1cc(Cl)c(F)c(C(F)(F)F)c1 ZINC000139971460 342872426 /nfs/dbraw/zinc/87/24/26/342872426.db2.gz LZKWCYSEURRILB-UHFFFAOYSA-N 0 0 216.536 3.637 10 0 BHAERN Fc1cc(Cl)c(F)c(OC(F)(F)F)c1 ZINC000139971620 372309462 /nfs/dbraw/zinc/30/94/62/372309462.db2.gz LKDAIOONUCJMGN-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN Fc1cc(OC(F)(F)F)cc(Cl)c1F ZINC000139972878 372310221 /nfs/dbraw/zinc/31/02/21/372310221.db2.gz ALSSNTJLJRQFIE-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN CCCn1c2ccccc2c2cc(CO)ccc21 ZINC000139982406 345850783 /nfs/dbraw/zinc/85/07/83/345850783.db2.gz VJBVHDHHWJFRPQ-UHFFFAOYSA-N 0 0 239.318 3.697 10 0 BHAERN Cc1[nH]c2nc(C3CCCC3)nc(Cl)c2c1C ZINC000139984775 372326516 /nfs/dbraw/zinc/32/65/16/372326516.db2.gz LAROFRFSJMYRRC-UHFFFAOYSA-N 0 0 249.745 3.886 10 0 BHAERN O=Cc1cc2cc(O)ccc2c(-c2ccoc2)c1 ZINC000139991548 345850387 /nfs/dbraw/zinc/85/03/87/345850387.db2.gz OBWVHKKDHMDILA-UHFFFAOYSA-N 0 0 238.242 3.618 10 0 BHAERN CC(=O)c1cccc(Cl)c1C(F)(F)F ZINC000140053211 360551714 /nfs/dbraw/zinc/55/17/14/360551714.db2.gz HNTJHGIMZKAVDW-UHFFFAOYSA-N 0 0 222.593 3.561 10 0 BHAERN Cc1ccc2c(c1)NC(C)(C)CC(C)=N2 ZINC000140063338 168138164 /nfs/dbraw/zinc/13/81/64/168138164.db2.gz JMDOYGYWPDHINV-UHFFFAOYSA-N 0 0 202.301 3.682 10 0 BHAERN Cc1cc2c(nc(-c3ccccc3)nc2Cl)[nH]1 ZINC000140085004 372467533 /nfs/dbraw/zinc/46/75/33/372467533.db2.gz CFPZDHBLNMPGQG-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN Oc1ccc(/C=C/c2cccc(F)c2)cc1 ZINC000140089484 343070155 /nfs/dbraw/zinc/07/01/55/343070155.db2.gz YTXMQUMTIFJLNH-SNAWJCMRSA-N 0 0 214.239 3.702 10 0 BHAERN BrC12CCCCC1CCCC2 ZINC000140093226 345851029 /nfs/dbraw/zinc/85/10/29/345851029.db2.gz XTZYFIBDEMHQSE-UHFFFAOYSA-N 0 0 217.150 3.884 10 0 BHAERN CCc1ccc(F)c(C(F)(F)F)c1F ZINC000140097628 343070233 /nfs/dbraw/zinc/07/02/33/343070233.db2.gz BXEOAEQNZUOBGO-UHFFFAOYSA-N 0 0 210.145 3.546 10 0 BHAERN CCCCO/C=C/c1nc(Cl)ncc1Cl ZINC000140200510 372532238 /nfs/dbraw/zinc/53/22/38/372532238.db2.gz MCKAZCQKSORSST-GQCTYLIASA-N 0 0 247.125 3.571 10 0 BHAERN C/C=C(\C)c1ccc(Br)cc1 ZINC000140270480 345852879 /nfs/dbraw/zinc/85/28/79/345852879.db2.gz CXFYPVJZKHWCJX-FPYGCLRLSA-N 0 0 211.102 3.872 10 0 BHAERN Oc1ccccc1/C=C/c1cccc(F)c1 ZINC000140278746 345853144 /nfs/dbraw/zinc/85/31/44/345853144.db2.gz UBWJWNCYXAYRKH-CMDGGOBGSA-N 0 0 214.239 3.702 10 0 BHAERN CSc1cc(F)c(Br)cc1C ZINC000140311968 345854858 /nfs/dbraw/zinc/85/48/58/345854858.db2.gz QEMQNUCABDRWAQ-UHFFFAOYSA-N 0 0 235.121 3.619 10 0 BHAERN CSc1cc(Cl)c(C=O)c(Cl)c1 ZINC000140345600 372581654 /nfs/dbraw/zinc/58/16/54/372581654.db2.gz XLHQQQHYKGOWAZ-UHFFFAOYSA-N 0 0 221.108 3.528 10 0 BHAERN Nc1ccc(-c2coc(-c3ccccc3)n2)cc1 ZINC000140349456 368346762 /nfs/dbraw/zinc/34/67/62/368346762.db2.gz QRLDOTWIJSVOTM-UHFFFAOYSA-N 0 0 236.274 3.591 10 0 BHAERN O=Cc1cc(Cl)cc(-c2ccccc2)c1O ZINC000140391561 343072657 /nfs/dbraw/zinc/07/26/57/343072657.db2.gz WLGWZEAAYFHJOI-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN CCc1c[nH]c2ccc(OC(F)(F)F)cc12 ZINC000140392469 323943851 /nfs/dbraw/zinc/94/38/51/323943851.db2.gz FQKPXFFPZANQHK-UHFFFAOYSA-N 0 0 229.201 3.629 10 0 BHAERN CSc1ccccc1-c1ccccc1C=O ZINC000140407056 592470383 /nfs/dbraw/zinc/47/03/83/592470383.db2.gz QAHLCCNNFXEAQF-UHFFFAOYSA-N 0 0 228.316 3.888 10 0 BHAERN OCc1coc2cc(-c3ccccc3)ccc12 ZINC000140540614 345856167 /nfs/dbraw/zinc/85/61/67/345856167.db2.gz OKIAYQHVIADVCN-UHFFFAOYSA-N 0 0 224.259 3.592 10 0 BHAERN C[C@@H]1CC[C@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC000140563346 343074193 /nfs/dbraw/zinc/07/41/93/343074193.db2.gz RFURESQBEJZPML-KOLCDFICSA-N 0 0 235.714 3.779 10 0 BHAERN C[C@H]1CC[C@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC000140563508 345856971 /nfs/dbraw/zinc/85/69/71/345856971.db2.gz RFURESQBEJZPML-ONGXEEELSA-N 0 0 235.714 3.779 10 0 BHAERN C[C@@H]1CC[C@@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC000140563691 343073967 /nfs/dbraw/zinc/07/39/67/343073967.db2.gz RFURESQBEJZPML-MWLCHTKSSA-N 0 0 235.714 3.779 10 0 BHAERN C[C@H]1CC[C@@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC000140563872 343074203 /nfs/dbraw/zinc/07/42/03/343074203.db2.gz RFURESQBEJZPML-GXSJLCMTSA-N 0 0 235.714 3.779 10 0 BHAERN Cc1ncc(-c2cccc(Cl)c2F)s1 ZINC000140622378 345855728 /nfs/dbraw/zinc/85/57/28/345855728.db2.gz WNSIUYSOVREEKM-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN c1nn(-c2cc3ccccc3o2)c2ccccc12 ZINC000140694535 398343340 /nfs/dbraw/zinc/34/33/40/398343340.db2.gz SUTWDJCURKFKFT-UHFFFAOYSA-N 0 0 234.258 3.772 10 0 BHAERN CC(C)(C)c1ccc(N)cc1-c1cccnc1 ZINC000140704554 343078565 /nfs/dbraw/zinc/07/85/65/343078565.db2.gz LPMRNRAVJLGSEB-UHFFFAOYSA-N 0 0 226.323 3.628 10 0 BHAERN CC(C)n1ccc2ccc(Br)cc21 ZINC000140708439 345856989 /nfs/dbraw/zinc/85/69/89/345856989.db2.gz DKDFFXZXZUAYFD-UHFFFAOYSA-N 0 0 238.128 3.985 10 0 BHAERN Fc1ccc(-c2coc3cccnc23)cc1 ZINC000140742411 343079748 /nfs/dbraw/zinc/07/97/48/343079748.db2.gz DLVGIIWXSFWLBP-UHFFFAOYSA-N 0 0 213.211 3.634 10 0 BHAERN O=Cc1c(Cl)ccc(Cl)c1C(F)(F)F ZINC000140824331 372800263 /nfs/dbraw/zinc/80/02/63/372800263.db2.gz KDDCZDOOEATEOM-UHFFFAOYSA-N 0 0 243.011 3.825 10 0 BHAERN Nc1ccn(Cc2ccccc2)c1-c1ccccc1 ZINC000140854120 356462721 /nfs/dbraw/zinc/46/27/21/356462721.db2.gz ZUNXNOYBHRYMRL-UHFFFAOYSA-N 0 0 248.329 3.786 10 0 BHAERN CCC[C@@H](O)c1cccc(C)c1Br ZINC000140882376 343939829 /nfs/dbraw/zinc/93/98/29/343939829.db2.gz RXCVWWMZTNPFHJ-SNVBAGLBSA-N 0 0 243.144 3.591 10 0 BHAERN CCCCOc1ccc(-c2c[nH]c(=S)[nH]2)cc1 ZINC000140962336 384842949 /nfs/dbraw/zinc/84/29/49/384842949.db2.gz AZGKOCWJFGXZIS-UHFFFAOYSA-N 0 0 248.351 3.918 10 0 BHAERN Cc1cccnc1-c1cc(Cl)nc(Cl)c1 ZINC000140962808 343087436 /nfs/dbraw/zinc/08/74/36/343087436.db2.gz IZLSDKYCTUFURN-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN CC(C)(C)c1cc2cc(Cl)cc(CO)c2o1 ZINC000141050543 345859187 /nfs/dbraw/zinc/85/91/87/345859187.db2.gz BKXFKEZRRSPAOA-UHFFFAOYSA-N 0 0 238.714 3.876 10 0 BHAERN Cc1c[nH]c2nc(-c3ccccc3)nc(Cl)c12 ZINC000141072740 372861745 /nfs/dbraw/zinc/86/17/45/372861745.db2.gz OPQPZFIVFOCQMK-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN COc1ccc(Br)c(C(C)(C)C)c1 ZINC000141093219 384738339 /nfs/dbraw/zinc/73/83/39/384738339.db2.gz WDYRYKSPRWZHIR-UHFFFAOYSA-N 0 0 243.144 3.755 10 0 BHAERN COc1ccc2c(c1)CC=C2c1ccccc1 ZINC000141129601 345859165 /nfs/dbraw/zinc/85/91/65/345859165.db2.gz UXXVCBZZAZXPTD-UHFFFAOYSA-N 0 0 222.287 3.683 10 0 BHAERN C[C@@H]1Cc2cc(O)ccc2O[C@@H]1c1ccccc1 ZINC000141142075 343090153 /nfs/dbraw/zinc/09/01/53/343090153.db2.gz SPOPOLALSDNQIW-BZNIZROVSA-N 0 0 240.302 3.705 10 0 BHAERN C[C@H]1Cc2cc(O)ccc2O[C@@H]1c1ccccc1 ZINC000141142265 343090343 /nfs/dbraw/zinc/09/03/43/343090343.db2.gz SPOPOLALSDNQIW-ZBEGNZNMSA-N 0 0 240.302 3.705 10 0 BHAERN C[C@@H]1Cc2cc(O)ccc2O[C@H]1c1ccccc1 ZINC000141142457 343090391 /nfs/dbraw/zinc/09/03/91/343090391.db2.gz SPOPOLALSDNQIW-BDJLRTHQSA-N 0 0 240.302 3.705 10 0 BHAERN C[C@H]1Cc2cc(O)ccc2O[C@H]1c1ccccc1 ZINC000141142639 343090335 /nfs/dbraw/zinc/09/03/35/343090335.db2.gz SPOPOLALSDNQIW-MEDUHNTESA-N 0 0 240.302 3.705 10 0 BHAERN COc1ccccc1/C=C/c1ccccc1O ZINC000141145879 345859215 /nfs/dbraw/zinc/85/92/15/345859215.db2.gz ACYGWOLSXFBZMR-ZHACJKMWSA-N 0 0 226.275 3.571 10 0 BHAERN CCC(=O)c1ccc(Cl)cc1Br ZINC000141154649 372880404 /nfs/dbraw/zinc/88/04/04/372880404.db2.gz FMCSRCFAKLXCHV-UHFFFAOYSA-N 0 0 247.519 3.695 10 0 BHAERN CCCC(=O)c1cccc(F)c1Br ZINC000141168630 343691141 /nfs/dbraw/zinc/69/11/41/343691141.db2.gz WLTGRFGSXBGVGQ-UHFFFAOYSA-N 0 0 245.091 3.571 10 0 BHAERN CC(C)=C1CCC[P@@]1(=O)c1ccccc1 ZINC000141195348 345859898 /nfs/dbraw/zinc/85/98/98/345859898.db2.gz DRQGTFCSAOLKCJ-OAHLLOKOSA-N 0 0 220.252 3.763 10 0 BHAERN CC(C)=C1CCC[P@]1(=O)c1ccccc1 ZINC000141195533 345860163 /nfs/dbraw/zinc/86/01/63/345860163.db2.gz DRQGTFCSAOLKCJ-HNNXBMFYSA-N 0 0 220.252 3.763 10 0 BHAERN CC[C@@H](O)c1cccc(Cl)c1Br ZINC000141226060 345860091 /nfs/dbraw/zinc/86/00/91/345860091.db2.gz VWLUFFRCHANELS-MRVPVSSYSA-N 0 0 249.535 3.546 10 0 BHAERN COc1ccc2ccccc2c1C(F)(F)F ZINC000141240352 343091339 /nfs/dbraw/zinc/09/13/39/343091339.db2.gz SXEQJFDUFUWILA-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN CCCC(=O)c1cccc(C)c1Br ZINC000141251825 345860213 /nfs/dbraw/zinc/86/02/13/345860213.db2.gz RJFYNYZVHLNMLB-UHFFFAOYSA-N 0 0 241.128 3.740 10 0 BHAERN Cc1cc(Oc2ccc(N)c(N)c2)ccc1Cl ZINC000141295496 259324762 /nfs/dbraw/zinc/32/47/62/259324762.db2.gz YTRRLIQBXFLBAP-UHFFFAOYSA-N 0 0 248.713 3.605 10 0 BHAERN CCC[C@H](O)c1cccc(C)c1Br ZINC000141308067 372920767 /nfs/dbraw/zinc/92/07/67/372920767.db2.gz RXCVWWMZTNPFHJ-JTQLQIEISA-N 0 0 243.144 3.591 10 0 BHAERN CCOC(=O)/C=C\Sc1ccc(Cl)cc1 ZINC000141313334 345860146 /nfs/dbraw/zinc/86/01/46/345860146.db2.gz OKGIQUZJMLBMIU-FPLPWBNLSA-N 0 0 242.727 3.509 10 0 BHAERN OCc1ccc2oc(-c3ccccc3)cc2c1 ZINC000141321958 345860271 /nfs/dbraw/zinc/86/02/71/345860271.db2.gz SDELKLAYAHEYCG-UHFFFAOYSA-N 0 0 224.259 3.592 10 0 BHAERN Cc1ccnc(-c2cc(F)c(F)c(F)c2F)c1 ZINC000141327344 345860126 /nfs/dbraw/zinc/86/01/26/345860126.db2.gz RWYFMWPOZZAYAR-UHFFFAOYSA-N 0 0 241.187 3.613 10 0 BHAERN SCc1cc(Cl)cc(Br)c1 ZINC000141329705 583553233 /nfs/dbraw/zinc/55/32/33/583553233.db2.gz MWPRCAVOHMTWOM-UHFFFAOYSA-N 0 0 237.549 3.532 10 0 BHAERN O=C(Cl)c1oc(Cl)c(Cl)c1Cl ZINC000141333208 345860142 /nfs/dbraw/zinc/86/01/42/345860142.db2.gz GHGJQKASHDZYBV-UHFFFAOYSA-N 0 0 233.865 3.619 10 0 BHAERN Cc1n[nH]c2cc(Oc3ccc(F)cc3)ccc12 ZINC000141422198 343094737 /nfs/dbraw/zinc/09/47/37/343094737.db2.gz TVJNKBMLRRVOLO-UHFFFAOYSA-N 0 0 242.253 3.803 10 0 BHAERN C[C@H](C/C=C1/C[C@@H](C)OC1=O)CC(C)(C)C ZINC000141425711 345860235 /nfs/dbraw/zinc/86/02/35/345860235.db2.gz YHEFXCQGOIEIDG-OECYYCGISA-N 0 0 224.344 3.711 10 0 BHAERN C[C@H](C/C=C1/C[C@H](C)OC1=O)CC(C)(C)C ZINC000141425867 345860166 /nfs/dbraw/zinc/86/01/66/345860166.db2.gz YHEFXCQGOIEIDG-HFWACKFLSA-N 0 0 224.344 3.711 10 0 BHAERN C[C@@H](C/C=C1/C[C@@H](C)OC1=O)CC(C)(C)C ZINC000141426050 345860730 /nfs/dbraw/zinc/86/07/30/345860730.db2.gz YHEFXCQGOIEIDG-URRBYVIQSA-N 0 0 224.344 3.711 10 0 BHAERN C[C@@H](C/C=C1/C[C@H](C)OC1=O)CC(C)(C)C ZINC000141426238 345860746 /nfs/dbraw/zinc/86/07/46/345860746.db2.gz YHEFXCQGOIEIDG-JUQUSQLXSA-N 0 0 224.344 3.711 10 0 BHAERN c1cc2c3c(c1)c1c(n3CC2)CCCCCC1 ZINC000141460230 345860748 /nfs/dbraw/zinc/86/07/48/345860748.db2.gz XMSLOQAUVCWIEZ-UHFFFAOYSA-N 0 0 225.335 3.856 10 0 BHAERN COc1ccc(-c2ccc(F)c(F)c2)cc1F ZINC000141566394 583588162 /nfs/dbraw/zinc/58/81/62/583588162.db2.gz JACQLYZPFRZBSD-UHFFFAOYSA-N 0 0 238.208 3.780 10 0 BHAERN Oc1ccccc1Oc1cccc(Cl)c1 ZINC000141601813 372990551 /nfs/dbraw/zinc/99/05/51/372990551.db2.gz DDWQHTJDOAMSKG-UHFFFAOYSA-N 0 0 220.655 3.838 10 0 BHAERN C[S@](=O)(=Nc1ccccc1F)c1ccccc1 ZINC000141628190 368390520 /nfs/dbraw/zinc/39/05/20/368390520.db2.gz RHAQTKXFVOHOBN-QGZVFWFLSA-N 0 0 249.310 3.614 10 0 BHAERN CCC/C(=C/c1cccc2cc[nH]c21)[N+](=O)[O-] ZINC000141632894 384678401 /nfs/dbraw/zinc/67/84/01/384678401.db2.gz SQXGDXROBONBKK-XFXZXTDPSA-N 0 0 230.267 3.586 10 0 BHAERN O=Cc1ccc2nccc(Oc3ccccc3)c2c1 ZINC000141642006 345861410 /nfs/dbraw/zinc/86/14/10/345861410.db2.gz OSLGHDWPYTWNMH-UHFFFAOYSA-N 0 0 249.269 3.840 10 0 BHAERN CC(C)=CCCc1cc(Cl)nc(Cl)n1 ZINC000141741484 373026775 /nfs/dbraw/zinc/02/67/75/373026775.db2.gz AEYXMIMTVWCWAX-UHFFFAOYSA-N 0 0 231.126 3.682 10 0 BHAERN CCCCOc1cc(O)ccc1C(C)(C)C ZINC000141770248 345861373 /nfs/dbraw/zinc/86/13/73/345861373.db2.gz GKTUUCRTNCZSTE-UHFFFAOYSA-N 0 0 222.328 3.869 10 0 BHAERN Cc1ccccc1-c1ccnc2[nH]ccc21 ZINC000141785490 345861423 /nfs/dbraw/zinc/86/14/23/345861423.db2.gz GWNZVXRQXQKMEO-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN O=C(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000141842419 373048980 /nfs/dbraw/zinc/04/89/80/373048980.db2.gz LTHKQNNJFBGASV-UHFFFAOYSA-N 0 0 229.106 3.515 10 0 BHAERN CC(C)Cc1nc(-c2ccccc2)cnc1Cl ZINC000141846061 345856597 /nfs/dbraw/zinc/85/65/97/345856597.db2.gz KGSCBBMEAABKPP-UHFFFAOYSA-N 0 0 246.741 3.996 10 0 BHAERN CC(C)c1cc(Br)cc(Cl)c1O ZINC000141848955 373050896 /nfs/dbraw/zinc/05/08/96/373050896.db2.gz PKMXGUKXDOTBCB-UHFFFAOYSA-N 0 0 249.535 3.932 10 0 BHAERN Cc1cccc(Cl)c1C(=O)C(C)(C)C ZINC000141851381 373051345 /nfs/dbraw/zinc/05/13/45/373051345.db2.gz QYCIEVSSKHYREV-UHFFFAOYSA-N 0 0 210.704 3.877 10 0 BHAERN Cc1cc2cc(C(F)(F)F)ccc2o1 ZINC000141947687 384869798 /nfs/dbraw/zinc/86/97/98/384869798.db2.gz XRRHYCCPDQQNBR-UHFFFAOYSA-N 0 0 200.159 3.760 10 0 BHAERN Clc1cccc(SC2=NCCS2)c1 ZINC000141950588 384870280 /nfs/dbraw/zinc/87/02/80/384870280.db2.gz AKULZRNVOYDPMD-UHFFFAOYSA-N 0 0 229.757 3.535 10 0 BHAERN Nc1ccc(/C=C/c2cccc(F)c2)cc1 ZINC000142028032 344064229 /nfs/dbraw/zinc/06/42/29/344064229.db2.gz KEAKHFXYOLNMHI-SNAWJCMRSA-N 0 0 213.255 3.578 10 0 BHAERN Cc1ccc(-c2nc3cc(O)ccc3s2)cc1 ZINC000142097487 356467553 /nfs/dbraw/zinc/46/75/53/356467553.db2.gz BTGAEQQHTVMDOB-UHFFFAOYSA-N 0 0 241.315 3.977 10 0 BHAERN CCC=C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000142100966 343104034 /nfs/dbraw/zinc/10/40/34/343104034.db2.gz UOCPGFOCLVCKQU-UHFFFAOYSA-N 0 0 240.302 3.940 10 0 BHAERN CCC[C@@H](CC(=O)OCC)c1ccc(C)cc1 ZINC000142142903 388412460 /nfs/dbraw/zinc/41/24/60/388412460.db2.gz WTDYFPLCVVYMSD-AWEZNQCLSA-N 0 0 234.339 3.832 10 0 BHAERN CCC[C@H](CC(=O)OCC)c1ccc(C)cc1 ZINC000142143126 388412667 /nfs/dbraw/zinc/41/26/67/388412667.db2.gz WTDYFPLCVVYMSD-CQSZACIVSA-N 0 0 234.339 3.832 10 0 BHAERN O=[N+]([O-])c1cc(Cl)c(CCl)c(Cl)c1 ZINC000142164426 373111033 /nfs/dbraw/zinc/11/10/33/373111033.db2.gz VCQIOAYAGPPDHS-UHFFFAOYSA-N 0 0 240.473 3.640 10 0 BHAERN CC(=O)OCCC[C@]1(C)CCCCC1(C)C ZINC000142204059 368348069 /nfs/dbraw/zinc/34/80/69/368348069.db2.gz VATYRIIGWJEFFB-AWEZNQCLSA-N 0 0 226.360 3.936 10 0 BHAERN CC(=O)OCCC[C@@]1(C)CCCCC1(C)C ZINC000142204278 368348493 /nfs/dbraw/zinc/34/84/93/368348493.db2.gz VATYRIIGWJEFFB-CQSZACIVSA-N 0 0 226.360 3.936 10 0 BHAERN c1ccc2c(c1)N[C@@H]1CCCCC[C@H]1S2 ZINC000142205141 353178915 /nfs/dbraw/zinc/17/89/15/353178915.db2.gz QSCFUUXGGCTGRV-ZYHUDNBSSA-N 0 0 219.353 3.906 10 0 BHAERN Cc1ccccc1COc1ccc(C=O)cc1C ZINC000142255473 345862237 /nfs/dbraw/zinc/86/22/37/345862237.db2.gz LEUCGQHYAGGANE-UHFFFAOYSA-N 0 0 240.302 3.695 10 0 BHAERN OCC1(c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000142263016 345867868 /nfs/dbraw/zinc/86/78/68/345867868.db2.gz KAFTVBGGPZOWCM-UHFFFAOYSA-N 0 0 245.149 3.798 10 0 BHAERN CC(C)(Cl)c1ccc(C(=O)C2CC2)cc1 ZINC000142410001 491133380 /nfs/dbraw/zinc/13/33/80/491133380.db2.gz CCFBLCYPGMGHKP-UHFFFAOYSA-N 0 0 222.715 3.753 10 0 BHAERN COc1ccccc1-c1ccc(N)c(Cl)c1 ZINC000142431642 345870217 /nfs/dbraw/zinc/87/02/17/345870217.db2.gz VHSPSPOGALXBCP-UHFFFAOYSA-N 0 0 233.698 3.598 10 0 BHAERN Cc1cccc(COC(=O)Nc2ccccc2)c1 ZINC000142441042 343108731 /nfs/dbraw/zinc/10/87/31/343108731.db2.gz WOJXAKZXXAGSCY-UHFFFAOYSA-N 0 0 241.290 3.744 10 0 BHAERN O=C1c2ccccc2C[C@H]1c1ccc(Cl)cc1 ZINC000142507542 345863434 /nfs/dbraw/zinc/86/34/34/345863434.db2.gz ZJRZFJDBFKOLPQ-AWEZNQCLSA-N 0 0 242.705 3.863 10 0 BHAERN O=C1c2ccccc2C[C@@H]1c1ccc(Cl)cc1 ZINC000142507743 345863211 /nfs/dbraw/zinc/86/32/11/345863211.db2.gz ZJRZFJDBFKOLPQ-CQSZACIVSA-N 0 0 242.705 3.863 10 0 BHAERN COc1cc(C(C)(C)C)ccc1Br ZINC000142523385 373574868 /nfs/dbraw/zinc/57/48/68/373574868.db2.gz MEIAVNIIWJIHCR-UHFFFAOYSA-N 0 0 243.144 3.755 10 0 BHAERN FC(F)COc1cnc(Cl)c2ccccc12 ZINC000142523574 345862991 /nfs/dbraw/zinc/86/29/91/345862991.db2.gz RLBXJHQLVLCENH-UHFFFAOYSA-N 0 0 243.640 3.532 10 0 BHAERN Clc1ccccc1-c1nc2cnccc2o1 ZINC000142566017 384305408 /nfs/dbraw/zinc/30/54/08/384305408.db2.gz RFTCWDGRKSKLCV-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN Fc1ccc(Cl)cc1-c1cncc(Cl)n1 ZINC000142600616 345862894 /nfs/dbraw/zinc/86/28/94/345862894.db2.gz NVUDEPNVRKJJBQ-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN C=C1c2ccsc2CCc2ccccc21 ZINC000142629900 345864078 /nfs/dbraw/zinc/86/40/78/345864078.db2.gz CVBSAXKNEVAGGT-UHFFFAOYSA-N 0 0 212.317 3.908 10 0 BHAERN Clc1ccc(-c2nc3cnccc3o2)cc1 ZINC000142643848 180577562 /nfs/dbraw/zinc/57/75/62/180577562.db2.gz CZGOKSBAAOTDHW-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN CCCOc1cnc(Cl)c2ccccc12 ZINC000142652987 343111771 /nfs/dbraw/zinc/11/17/71/343111771.db2.gz CPWSIRXFHOMVSR-UHFFFAOYSA-N 0 0 221.687 3.677 10 0 BHAERN Cc1cc(C(C)C)ccc1Br ZINC000142675409 541428925 /nfs/dbraw/zinc/42/89/25/541428925.db2.gz JYXOCDNYFHKKIE-UHFFFAOYSA-N 0 0 213.118 3.881 10 0 BHAERN CC(C)c1ccc(Br)c(F)c1 ZINC000142675645 541504411 /nfs/dbraw/zinc/50/44/11/541504411.db2.gz DHAJJCSKQVDXKG-UHFFFAOYSA-N 0 0 217.081 3.712 10 0 BHAERN O=Cc1cc2cc3sc(C=O)cc3cc2s1 ZINC000142694984 345863778 /nfs/dbraw/zinc/86/37/78/345863778.db2.gz ALRNNAIHJVWUDJ-UHFFFAOYSA-N 0 0 246.312 3.741 10 0 BHAERN CC(C)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000142723535 373870043 /nfs/dbraw/zinc/87/00/43/373870043.db2.gz AJUMWDAYOWAOCU-UHFFFAOYSA-N 0 0 220.703 3.854 10 0 BHAERN C=Cc1ccc(NC(=O)c2ccccc2)cc1 ZINC000142739929 384706665 /nfs/dbraw/zinc/70/66/65/384706665.db2.gz WXAOXULQXCLCRO-UHFFFAOYSA-N 0 0 223.275 3.582 10 0 BHAERN COc1cccc2c(C(C)(C)C)ccnc12 ZINC000142753325 373933703 /nfs/dbraw/zinc/93/37/03/373933703.db2.gz VSLMSDUNFQMOQE-UHFFFAOYSA-N 0 0 215.296 3.541 10 0 BHAERN CCc1cc(Cl)c(C)cc1Br ZINC000142763345 349176984 /nfs/dbraw/zinc/17/69/84/349176984.db2.gz JPPDZVASMGIARQ-UHFFFAOYSA-N 0 0 233.536 3.973 10 0 BHAERN COc1cc(Cl)c2ccc(Cl)cc2n1 ZINC000142765008 384706286 /nfs/dbraw/zinc/70/62/86/384706286.db2.gz YKCJMRBCXAWAKQ-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN CCOc1cnc(Cl)c2cccc(Cl)c12 ZINC000142769319 373970930 /nfs/dbraw/zinc/97/09/30/373970930.db2.gz DJCASNCRLLALDL-UHFFFAOYSA-N 0 0 242.105 3.940 10 0 BHAERN COc1cc(NCc2ccccc2)ccc1C ZINC000142820871 374096966 /nfs/dbraw/zinc/09/69/66/374096966.db2.gz UCWFIJCCRWGYCV-UHFFFAOYSA-N 0 0 227.307 3.616 10 0 BHAERN CCC(=O)c1ccc(Br)c(Cl)c1 ZINC000142823329 374098204 /nfs/dbraw/zinc/09/82/04/374098204.db2.gz KATXLVBQIMRMHP-UHFFFAOYSA-N 0 0 247.519 3.695 10 0 BHAERN Clc1cnc2cc(-c3ccccc3)ccn12 ZINC000142855392 343113737 /nfs/dbraw/zinc/11/37/37/343113737.db2.gz YTQLUKPBCSAXDY-UHFFFAOYSA-N 0 0 228.682 3.655 10 0 BHAERN Cc1cc(C)cc(/C=C/C(=O)OC(C)(C)C)c1 ZINC000142887066 541504884 /nfs/dbraw/zinc/50/48/84/541504884.db2.gz BPAYROFEZAVQTQ-VOTSOKGWSA-N 0 0 232.323 3.658 10 0 BHAERN Cc1ccccc1-c1c(O)cccc1F ZINC000142913385 344330222 /nfs/dbraw/zinc/33/02/22/344330222.db2.gz RVPKHDOOIXUSHL-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1cc2nc(-c3cccc(O)c3)oc2c(C)c1 ZINC000142947684 384309274 /nfs/dbraw/zinc/30/92/74/384309274.db2.gz GPMUSNRTAGDZLU-UHFFFAOYSA-N 0 0 239.274 3.817 10 0 BHAERN CCOC(=O)[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000143072790 343117337 /nfs/dbraw/zinc/11/73/37/343117337.db2.gz QAFJXCRDDFJXJT-ZDUSSCGKSA-N 0 0 248.297 3.572 10 0 BHAERN CCOC(=O)[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000143073001 343117251 /nfs/dbraw/zinc/11/72/51/343117251.db2.gz QAFJXCRDDFJXJT-CYBMUJFWSA-N 0 0 248.297 3.572 10 0 BHAERN COc1ccc2cc([C@@H](C)CC(C)=O)ccc2c1 ZINC000143097106 175224389 /nfs/dbraw/zinc/22/43/89/175224389.db2.gz GWEUXEZTZJVUTQ-NSHDSACASA-N 0 0 242.318 3.931 10 0 BHAERN COc1ccc2cc([C@H](C)CC(C)=O)ccc2c1 ZINC000143097298 175224975 /nfs/dbraw/zinc/22/49/75/175224975.db2.gz GWEUXEZTZJVUTQ-LLVKDONJSA-N 0 0 242.318 3.931 10 0 BHAERN Cc1csc(-c2ccccc2C=O)c1 ZINC000143189073 343118035 /nfs/dbraw/zinc/11/80/35/343118035.db2.gz HKNIGRYKKOCSKB-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN Fc1ccc2ccccc2c1OC(F)F ZINC000143231027 374145358 /nfs/dbraw/zinc/14/53/58/374145358.db2.gz WPGIGLBOTUBRCP-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN Oc1cccc(/C=C/c2cccc(F)c2)c1 ZINC000143235910 345865200 /nfs/dbraw/zinc/86/52/00/345865200.db2.gz REEZEIYNWMMZNG-BQYQJAHWSA-N 0 0 214.239 3.702 10 0 BHAERN COC(=O)CCCCCSc1ccccc1 ZINC000143269492 388437671 /nfs/dbraw/zinc/43/76/71/388437671.db2.gz ZTJRFAYGCKZUAQ-UHFFFAOYSA-N 0 0 238.352 3.512 10 0 BHAERN Cc1ccc(Oc2ccccc2F)cc1N ZINC000143274729 345865171 /nfs/dbraw/zinc/86/51/71/345865171.db2.gz FINVSKDSAKFCES-UHFFFAOYSA-N 0 0 217.243 3.509 10 0 BHAERN COc1ccc(Cl)c2c3cc(C)cnc3[nH]c21 ZINC000143301026 345865164 /nfs/dbraw/zinc/86/51/64/345865164.db2.gz NCEXBENFPXOIMJ-UHFFFAOYSA-N 0 0 246.697 3.687 10 0 BHAERN C(=C/c1nc2ccccc2[nH]1)\c1cccs1 ZINC000143309813 345898272 /nfs/dbraw/zinc/89/82/72/345898272.db2.gz HHXISSOUHFCYCU-BQYQJAHWSA-N 0 0 226.304 3.795 10 0 BHAERN CC(=O)c1cnc2c(Cl)cccc2c1Cl ZINC000143317078 188513821 /nfs/dbraw/zinc/51/38/21/188513821.db2.gz STNVRFWBJCHDNV-UHFFFAOYSA-N 0 0 240.089 3.744 10 0 BHAERN O[C@H](/C=C/c1ccccc1)c1ccc(F)cc1 ZINC000143337637 374167573 /nfs/dbraw/zinc/16/75/73/374167573.db2.gz CRYWRCDREPNGIL-KDHUCADRSA-N 0 0 228.266 3.573 10 0 BHAERN Clc1csc(Sc2ccccc2)n1 ZINC000143514929 345903450 /nfs/dbraw/zinc/90/34/50/345903450.db2.gz QRVNWVYDNUKEHZ-UHFFFAOYSA-N 0 0 227.741 3.948 10 0 BHAERN COc1cc(C(C)=O)cc(-c2ccccc2C)c1 ZINC000143517803 345866421 /nfs/dbraw/zinc/86/64/21/345866421.db2.gz HGBDLPJHFLDPBT-UHFFFAOYSA-N 0 0 240.302 3.873 10 0 BHAERN COc1cc(-c2ccccc2)cc([C@@H](C)C=O)c1 ZINC000143518201 345903343 /nfs/dbraw/zinc/90/33/43/345903343.db2.gz DWKSTSYONGUMDK-LBPRGKRZSA-N 0 0 240.302 3.665 10 0 BHAERN COc1cc(-c2ccccc2)cc([C@H](C)C=O)c1 ZINC000143518426 345903324 /nfs/dbraw/zinc/90/33/24/345903324.db2.gz DWKSTSYONGUMDK-GFCCVEGCSA-N 0 0 240.302 3.665 10 0 BHAERN CCCc1cc2cc(C=O)oc2c(Cl)c1 ZINC000143524739 345866210 /nfs/dbraw/zinc/86/62/10/345866210.db2.gz XOCHVWMRTBDIKD-UHFFFAOYSA-N 0 0 222.671 3.851 10 0 BHAERN Fc1ccc(-c2cc(Cl)ccn2)c(F)c1 ZINC000143546927 344332469 /nfs/dbraw/zinc/33/24/69/344332469.db2.gz RDTHGJVLOUAWTD-UHFFFAOYSA-N 0 0 225.625 3.680 10 0 BHAERN Cc1ccc2c(Cl)c(C#N)sc2c1 ZINC000143548877 541508381 /nfs/dbraw/zinc/50/83/81/541508381.db2.gz MCBWEZHHCBHOTA-UHFFFAOYSA-N 0 0 207.685 3.735 10 0 BHAERN COc1ccc(Br)c2sccc21 ZINC000143553085 374206624 /nfs/dbraw/zinc/20/66/24/374206624.db2.gz BARSIPZLVZJTIH-UHFFFAOYSA-N 0 0 243.125 3.672 10 0 BHAERN Fc1ccc(C2=CCCc3ncccc32)cc1 ZINC000143585003 345866267 /nfs/dbraw/zinc/86/62/67/345866267.db2.gz VOFKUTZKKOVQTH-UHFFFAOYSA-N 0 0 225.266 3.599 10 0 BHAERN CC(=O)c1cnc2ccc(Cl)cc2c1Cl ZINC000143591634 384739215 /nfs/dbraw/zinc/73/92/15/384739215.db2.gz ANXRXQKQMWQLGX-UHFFFAOYSA-N 0 0 240.089 3.744 10 0 BHAERN COc1cc(C(C)=O)cc(-c2ccccc2)c1 ZINC000143599908 345866186 /nfs/dbraw/zinc/86/61/86/345866186.db2.gz ZLLGHUMRZLIUPU-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN Cc1cccc(C)c1-c1csc(C=O)c1 ZINC000143615562 345866433 /nfs/dbraw/zinc/86/64/33/345866433.db2.gz LOHKKAFXRKSYTH-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN O=c1cc(C2CCCCC2)oc2cc([O-])ccc12 ZINC000143621558 345866292 /nfs/dbraw/zinc/86/62/92/345866292.db2.gz ZMNMJLHKWZIZJC-UHFFFAOYSA-N 0 0 244.290 3.546 10 0 BHAERN Cc1cccc(Cl)c1-c1cccc(CO)c1 ZINC000143630425 345866094 /nfs/dbraw/zinc/86/60/94/345866094.db2.gz OKWKHNWQFPNRGO-UHFFFAOYSA-N 0 0 232.710 3.808 10 0 BHAERN Cc1cccc(C)c1-c1ccc(CO)s1 ZINC000143632373 345907544 /nfs/dbraw/zinc/90/75/44/345907544.db2.gz CZNHBEPLMWVJGL-UHFFFAOYSA-N 0 0 218.321 3.524 10 0 BHAERN Cc1cccc(C)c1-c1csc(CO)c1 ZINC000143632590 384930922 /nfs/dbraw/zinc/93/09/22/384930922.db2.gz WWSLLAONQGWUBU-UHFFFAOYSA-N 0 0 218.321 3.524 10 0 BHAERN Cc1cccc(C)c1-c1cc(F)cc(CO)c1 ZINC000143634576 345866401 /nfs/dbraw/zinc/86/64/01/345866401.db2.gz TUHIUHVLTQZUSL-UHFFFAOYSA-N 0 0 230.282 3.602 10 0 BHAERN Cc1ccc(CO)cc1-c1c(C)cccc1C ZINC000143642835 343126574 /nfs/dbraw/zinc/12/65/74/343126574.db2.gz RRNHJFIQZOWXOB-UHFFFAOYSA-N 0 0 226.319 3.771 10 0 BHAERN Cc1cccc(C)c1-c1cccc(CO)c1F ZINC000143646855 345866196 /nfs/dbraw/zinc/86/61/96/345866196.db2.gz KXKHXWGSKXEUQI-UHFFFAOYSA-N 0 0 230.282 3.602 10 0 BHAERN Cc1cccc(C)c1-c1ccc(F)c(CO)c1 ZINC000143647972 345907808 /nfs/dbraw/zinc/90/78/08/345907808.db2.gz UOAUQYFJFADOKN-UHFFFAOYSA-N 0 0 230.282 3.602 10 0 BHAERN COc1ccc2c(c1)C[C@H]1CCCC[C@@H]21 ZINC000143650670 384926447 /nfs/dbraw/zinc/92/64/47/384926447.db2.gz KWNQDPATGIWMJM-ZWNOBZJWSA-N 0 0 202.297 3.525 10 0 BHAERN COc1ccc2c(c1)C[C@H]1CCCC[C@H]21 ZINC000143650847 345865990 /nfs/dbraw/zinc/86/59/90/345865990.db2.gz KWNQDPATGIWMJM-MFKMUULPSA-N 0 0 202.297 3.525 10 0 BHAERN COc1ccc2c(c1)C[C@@H]1CCCC[C@@H]21 ZINC000143651064 345866041 /nfs/dbraw/zinc/86/60/41/345866041.db2.gz KWNQDPATGIWMJM-GXFFZTMASA-N 0 0 202.297 3.525 10 0 BHAERN COc1ccc2c(c1)C[C@@H]1CCCC[C@H]21 ZINC000143651271 345865926 /nfs/dbraw/zinc/86/59/26/345865926.db2.gz KWNQDPATGIWMJM-GWCFXTLKSA-N 0 0 202.297 3.525 10 0 BHAERN OCc1c2ccccc2oc1-c1ccccc1 ZINC000143657491 345867109 /nfs/dbraw/zinc/86/71/09/345867109.db2.gz HROPMIYNPWJHKG-UHFFFAOYSA-N 0 0 224.259 3.592 10 0 BHAERN Fc1cccc2cc(Br)ccc12 ZINC000143675539 361930570 /nfs/dbraw/zinc/93/05/70/361930570.db2.gz GWIMJWYVOFNHKL-UHFFFAOYSA-N 0 0 225.060 3.741 10 0 BHAERN Clc1nc2ccccc2c2c1CCCC2 ZINC000143702005 343126819 /nfs/dbraw/zinc/12/68/19/343126819.db2.gz NFBSGDXVKMSJJX-UHFFFAOYSA-N 0 0 217.699 3.767 10 0 BHAERN COc1ccc(C=O)cc1-c1ccc(C)cc1C ZINC000143702740 345867124 /nfs/dbraw/zinc/86/71/24/345867124.db2.gz SIAWNXXAMVNUJR-UHFFFAOYSA-N 0 0 240.302 3.792 10 0 BHAERN Cc1c(Cl)cc2ncccc2c1Cl ZINC000143721763 368394063 /nfs/dbraw/zinc/39/40/63/368394063.db2.gz WVVWGZYMCSTFFY-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN CCCOc1cc2ccccc2cc1NC(C)=O ZINC000143735192 343127022 /nfs/dbraw/zinc/12/70/22/343127022.db2.gz ALHILVNKUXZSCC-UHFFFAOYSA-N 0 0 243.306 3.587 10 0 BHAERN Fc1cc(Cl)cc(COCC(F)(F)F)c1 ZINC000143737054 345866984 /nfs/dbraw/zinc/86/69/84/345866984.db2.gz AMHHYHVJLSUQLC-UHFFFAOYSA-N 0 0 242.599 3.558 10 0 BHAERN CCC[C@@H](CC(=O)OCC)c1ccccc1 ZINC000143765257 361958243 /nfs/dbraw/zinc/95/82/43/361958243.db2.gz SIOKCOZEJYLCTD-ZDUSSCGKSA-N 0 0 220.312 3.524 10 0 BHAERN Cc1cccc(-c2cccc(Cl)c2)n1 ZINC000143765415 384744460 /nfs/dbraw/zinc/74/44/60/384744460.db2.gz LFGUSZBYNQBXSR-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN CCC[C@H](CC(=O)OCC)c1ccccc1 ZINC000143765437 343127000 /nfs/dbraw/zinc/12/70/00/343127000.db2.gz SIOKCOZEJYLCTD-CYBMUJFWSA-N 0 0 220.312 3.524 10 0 BHAERN CC1CCC(C(C)(C)Br)CC1 ZINC000143772173 541308305 /nfs/dbraw/zinc/30/83/05/541308305.db2.gz VRDQWFAMAARFLM-UHFFFAOYSA-N 0 0 219.166 3.986 10 0 BHAERN Cc1cc(C)c(N)c(C(=O)C2CCCCC2)c1 ZINC000143777155 345912219 /nfs/dbraw/zinc/91/22/19/345912219.db2.gz OVACAGHIHYHCKM-UHFFFAOYSA-N 0 0 231.339 3.649 10 0 BHAERN Cc1ccc(C(F)(F)F)c(OC(F)(F)F)c1 ZINC000143821854 374253061 /nfs/dbraw/zinc/25/30/61/374253061.db2.gz LHNDKDNUGKWRGV-UHFFFAOYSA-N 0 0 244.134 3.912 10 0 BHAERN Cc1ccc(OC(F)(F)F)c(C(F)(F)F)c1 ZINC000143825359 343127838 /nfs/dbraw/zinc/12/78/38/343127838.db2.gz JIBNAEKGGVKSHX-UHFFFAOYSA-N 0 0 244.134 3.912 10 0 BHAERN Nc1ccc(C(F)(F)F)c(Cl)c1Cl ZINC000143836416 356472760 /nfs/dbraw/zinc/47/27/60/356472760.db2.gz MURXNOZLOWVKAQ-UHFFFAOYSA-N 0 0 230.016 3.594 10 0 BHAERN CC(=O)Oc1ccc(-c2ccc(F)cc2)cc1C ZINC000143856410 343128609 /nfs/dbraw/zinc/12/86/09/343128609.db2.gz WNHLKDZSGFHPGE-UHFFFAOYSA-N 0 0 244.265 3.726 10 0 BHAERN Cc1cc(-c2cccc(Cl)c2)ccn1 ZINC000143897701 384746338 /nfs/dbraw/zinc/74/63/38/384746338.db2.gz CEZXUGDAKIFYOD-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN O=Cc1ccc(-c2ccnc3ccccc32)cc1 ZINC000143906862 636347925 /nfs/dbraw/zinc/34/79/25/636347925.db2.gz NJTDQZLODVDZSB-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN Cc1cccc(Oc2cccc(O)c2)c1C ZINC000143907015 342687067 /nfs/dbraw/zinc/68/70/67/342687067.db2.gz NEQSAOJAPMBDQC-UHFFFAOYSA-N 0 0 214.264 3.801 10 0 BHAERN C[C@@H](O)c1cnc2ccccc2c1-c1ccccc1 ZINC000143929506 368349337 /nfs/dbraw/zinc/34/93/37/368349337.db2.gz VUIIRZAFFOYSHG-GFCCVEGCSA-N 0 0 249.313 3.955 10 0 BHAERN C[C@H](O)c1cnc2ccccc2c1-c1ccccc1 ZINC000143929715 368349811 /nfs/dbraw/zinc/34/98/11/368349811.db2.gz VUIIRZAFFOYSHG-LBPRGKRZSA-N 0 0 249.313 3.955 10 0 BHAERN Clc1cc(CC2CCCCC2)nc2ccnn21 ZINC000143978707 384745954 /nfs/dbraw/zinc/74/59/54/384745954.db2.gz BSFGVZYZZJLOKO-UHFFFAOYSA-N 0 0 249.745 3.506 10 0 BHAERN C=Cc1cc(OC)cc2c1C(=O)CCC2(C)C ZINC000144030002 342694807 /nfs/dbraw/zinc/69/48/07/342694807.db2.gz VLZQTZJINFZSCX-UHFFFAOYSA-N 0 0 230.307 3.592 10 0 BHAERN CCc1cc(OC)cc2c1C(=O)CCC2(C)C ZINC000144033157 345915644 /nfs/dbraw/zinc/91/56/44/345915644.db2.gz CURHCPKYXALSKP-UHFFFAOYSA-N 0 0 232.323 3.512 10 0 BHAERN Cc1ccc2c(c1)NCc1ccccc1C2 ZINC000144046467 342695252 /nfs/dbraw/zinc/69/52/52/342695252.db2.gz VNCXDLKCSBRFOJ-UHFFFAOYSA-N 0 0 209.292 3.511 10 0 BHAERN CC(=O)c1ccc(O)c(C2CCCCC2)c1 ZINC000144102487 342699160 /nfs/dbraw/zinc/69/91/60/342699160.db2.gz HZCDRZOAMBOWAS-UHFFFAOYSA-N 0 0 218.296 3.643 10 0 BHAERN COC(=O)c1cc(C)cc(-c2ccsc2)c1 ZINC000144155420 342702052 /nfs/dbraw/zinc/70/20/52/342702052.db2.gz YVVCGICCSJQPRE-UHFFFAOYSA-N 0 0 232.304 3.510 10 0 BHAERN C[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC000144158948 342702012 /nfs/dbraw/zinc/70/20/12/342702012.db2.gz QBWPTRKAXARXRF-NSHDSACASA-N 0 0 241.375 3.870 10 0 BHAERN CC1(C)C[C@H](c2ccc(Cl)cc2F)CC1=O ZINC000144175354 342704852 /nfs/dbraw/zinc/70/48/52/342704852.db2.gz ZWCOXDGQYIWAPZ-MRVPVSSYSA-N 0 0 240.705 3.952 10 0 BHAERN CC1(C)C[C@@H](c2ccc(Cl)cc2F)CC1=O ZINC000144175571 345918357 /nfs/dbraw/zinc/91/83/57/345918357.db2.gz ZWCOXDGQYIWAPZ-QMMMGPOBSA-N 0 0 240.705 3.952 10 0 BHAERN O=c1ccc2c(-c3ccccc3)cc[nH]c-2c1 ZINC000144217226 345918554 /nfs/dbraw/zinc/91/85/54/345918554.db2.gz JIGPHHUBNVTDAS-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN CCOC(=N)C1(c2ccc(Cl)cc2)CCC1 ZINC000144239856 362014302 /nfs/dbraw/zinc/01/43/02/362014302.db2.gz RKGMXKZCSABCPT-UHFFFAOYSA-N 0 0 237.730 3.775 10 0 BHAERN CC(C)(C)Cc1ccc2c(c1)C(=O)CCC2 ZINC000144279961 342727517 /nfs/dbraw/zinc/72/75/17/342727517.db2.gz UQFBAMKVBJOIPA-UHFFFAOYSA-N 0 0 216.324 3.794 10 0 BHAERN CCCCCC(=O)O[C@@H](C)CCCC ZINC000144285315 343133716 /nfs/dbraw/zinc/13/37/16/343133716.db2.gz XDNHLCMOLNTUOI-NSHDSACASA-N 0 0 200.322 3.689 10 0 BHAERN CCCCCC(=O)O[C@H](C)CCCC ZINC000144285496 343133398 /nfs/dbraw/zinc/13/33/98/343133398.db2.gz XDNHLCMOLNTUOI-LLVKDONJSA-N 0 0 200.322 3.689 10 0 BHAERN O=Cc1cccc(Cl)c1-c1ccccc1 ZINC000144320882 583927091 /nfs/dbraw/zinc/92/70/91/583927091.db2.gz KVSYMRPDDBTUBS-UHFFFAOYSA-N 0 0 216.667 3.820 10 0 BHAERN C=Cc1c(Cl)cnc2ccc(OC)cc12 ZINC000144328311 362021474 /nfs/dbraw/zinc/02/14/74/362021474.db2.gz HICJZQCMPAMTCD-UHFFFAOYSA-N 0 0 219.671 3.540 10 0 BHAERN CCC[C@H](C(=O)OCC)C1CCCCC1 ZINC000144393614 350252520 /nfs/dbraw/zinc/25/25/20/350252520.db2.gz BYADFYIWFCWHKH-LBPRGKRZSA-N 0 0 212.333 3.546 10 0 BHAERN CCC[C@@H](C(=O)OCC)C1CCCCC1 ZINC000144393822 350252508 /nfs/dbraw/zinc/25/25/08/350252508.db2.gz BYADFYIWFCWHKH-GFCCVEGCSA-N 0 0 212.333 3.546 10 0 BHAERN FC(F)(F)COc1c(Cl)cccc1Cl ZINC000144418511 343134946 /nfs/dbraw/zinc/13/49/46/343134946.db2.gz MCHUXBVFHUOMEE-UHFFFAOYSA-N 0 0 245.027 3.935 10 0 BHAERN CCOC(=O)C1CCC(=Cc2ccccc2)CC1 ZINC000144444467 343135343 /nfs/dbraw/zinc/13/53/43/343135343.db2.gz QARWCIPGKKMJPO-UHFFFAOYSA-N 0 0 244.334 3.823 10 0 BHAERN Clc1ccccc1-c1ccnc2[nH]ccc21 ZINC000144469056 342743601 /nfs/dbraw/zinc/74/36/01/342743601.db2.gz XYLGZPKYLLYTBI-UHFFFAOYSA-N 0 0 228.682 3.883 10 0 BHAERN CCCCN(C)c1ccc(C(F)(F)F)cc1 ZINC000144516233 342743363 /nfs/dbraw/zinc/74/33/63/342743363.db2.gz GPEWFAVXGYCVDS-UHFFFAOYSA-N 0 0 231.261 3.942 10 0 BHAERN Cc1cccc(C)c1-c1ccnc2[nH]ccc21 ZINC000144528714 342743758 /nfs/dbraw/zinc/74/37/58/342743758.db2.gz MQKQFNWAFOWIBX-UHFFFAOYSA-N 0 0 222.291 3.847 10 0 BHAERN Oc1ccc(NCc2ccccc2)cc1Cl ZINC000144533623 362044211 /nfs/dbraw/zinc/04/42/11/362044211.db2.gz NXQHGCWOWLHXOY-UHFFFAOYSA-N 0 0 233.698 3.658 10 0 BHAERN O=C1CCC2(CCCCC2)c2ccccc21 ZINC000144552527 583927934 /nfs/dbraw/zinc/92/79/34/583927934.db2.gz SSSYDULXKGVZPL-UHFFFAOYSA-N 0 0 214.308 3.865 10 0 BHAERN CCC(=O)[C@@H]1CC[C@H](C)c2ccccc21 ZINC000144567404 374318467 /nfs/dbraw/zinc/31/84/67/374318467.db2.gz XJYXNFZFEMWABU-GXFFZTMASA-N 0 0 202.297 3.647 10 0 BHAERN CCC(=O)[C@H]1CC[C@H](C)c2ccccc21 ZINC000144567613 374318574 /nfs/dbraw/zinc/31/85/74/374318574.db2.gz XJYXNFZFEMWABU-GWCFXTLKSA-N 0 0 202.297 3.647 10 0 BHAERN CCC(=O)[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000144567821 374318138 /nfs/dbraw/zinc/31/81/38/374318138.db2.gz XJYXNFZFEMWABU-ZWNOBZJWSA-N 0 0 202.297 3.647 10 0 BHAERN CCC(=O)[C@H]1CC[C@@H](C)c2ccccc21 ZINC000144568006 374317900 /nfs/dbraw/zinc/31/79/00/374317900.db2.gz XJYXNFZFEMWABU-MFKMUULPSA-N 0 0 202.297 3.647 10 0 BHAERN F/C=C1\c2ccccc2COc2ccccc21 ZINC000144576659 343136154 /nfs/dbraw/zinc/13/61/54/343136154.db2.gz URKXXRKCPSBSRR-NTEUORMPSA-N 0 0 226.250 3.938 10 0 BHAERN CCc1ccc(Cc2c(N)ccc(F)c2F)cc1 ZINC000144581671 342746467 /nfs/dbraw/zinc/74/64/67/342746467.db2.gz WHNPOHJNGYKQJI-UHFFFAOYSA-N 0 0 247.288 3.700 10 0 BHAERN Nc1cc(SCC(F)(F)F)ccc1Cl ZINC000144592802 342747373 /nfs/dbraw/zinc/74/73/73/342747373.db2.gz ADHCOLPVISFFOO-UHFFFAOYSA-N 0 0 241.665 3.577 10 0 BHAERN O[C@@]12CCCC[C@@H]1CCC[C@H]2Nc1ccccc1 ZINC000144602124 342747483 /nfs/dbraw/zinc/74/74/83/342747483.db2.gz LHYUBQPGZGZSPP-BMFZPTHFSA-N 0 0 245.366 3.572 10 0 BHAERN Cn1cc(NC(=O)OC(C)(C)C)c2ccccc21 ZINC000144611230 180659596 /nfs/dbraw/zinc/65/95/96/180659596.db2.gz WFQKWCNYWCUWSN-UHFFFAOYSA-N 0 0 246.310 3.525 10 0 BHAERN Oc1ccccc1-c1c(O)ccc(F)c1Cl ZINC000144637594 342748197 /nfs/dbraw/zinc/74/81/97/342748197.db2.gz GOGPYTYQBCINFP-UHFFFAOYSA-N 0 0 238.645 3.557 10 0 BHAERN CCCc1c2occ(CC)c2ccc1O ZINC000144648823 384761764 /nfs/dbraw/zinc/76/17/64/384761764.db2.gz YMHXRCIERQSIQR-UHFFFAOYSA-N 0 0 204.269 3.653 10 0 BHAERN CCc1nc2ccccc2cc1Br ZINC000144650572 636245549 /nfs/dbraw/zinc/24/55/49/636245549.db2.gz ONLQUZDSWBGBEB-UHFFFAOYSA-N 0 0 236.112 3.560 10 0 BHAERN Oc1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000144651197 342748174 /nfs/dbraw/zinc/74/81/74/342748174.db2.gz ZKNUVZFYOUESIG-SDNWHVSQSA-N 0 0 220.271 3.960 10 0 BHAERN Fc1cc(C(F)(F)F)cc2ccccc12 ZINC000144666391 342795705 /nfs/dbraw/zinc/79/57/05/342795705.db2.gz SCDYXIATFUUMFF-UHFFFAOYSA-N 0 0 214.161 3.998 10 0 BHAERN Fc1ccc2c(cccc2C(F)(F)F)c1 ZINC000144666634 342795819 /nfs/dbraw/zinc/79/58/19/342795819.db2.gz ZXRMDAZYMVCHHP-UHFFFAOYSA-N 0 0 214.161 3.998 10 0 BHAERN C=C1CC[C@H](c2cccc3ccccc32)C(=O)O1 ZINC000144685816 342749410 /nfs/dbraw/zinc/74/94/10/342749410.db2.gz IMVKHVHFHPEABH-OAHLLOKOSA-N 0 0 238.286 3.774 10 0 BHAERN C=C1CC[C@@H](c2cccc3ccccc32)C(=O)O1 ZINC000144686006 342749518 /nfs/dbraw/zinc/74/95/18/342749518.db2.gz IMVKHVHFHPEABH-HNNXBMFYSA-N 0 0 238.286 3.774 10 0 BHAERN CC1(C)c2ccccc2-c2ccc(C=O)cc21 ZINC000144756198 191006916 /nfs/dbraw/zinc/00/69/16/191006916.db2.gz YJMRMSQQQCEPCM-UHFFFAOYSA-N 0 0 222.287 3.805 10 0 BHAERN Clc1cc(Br)cc2ncccc12 ZINC000144758315 343138157 /nfs/dbraw/zinc/13/81/57/343138157.db2.gz QRSWXWWDBKQHIP-UHFFFAOYSA-N 0 0 242.503 3.651 10 0 BHAERN O=C1c2ccccc2CC[C@H]1c1ccc(F)cc1 ZINC000144759469 345924735 /nfs/dbraw/zinc/92/47/35/345924735.db2.gz KFASQSLGCGXEQN-HNNXBMFYSA-N 0 0 240.277 3.738 10 0 BHAERN COc1ccc(Cl)c(F)c1C(F)(F)F ZINC000144811703 342752294 /nfs/dbraw/zinc/75/22/94/342752294.db2.gz SUNYIXYHEJRIBS-UHFFFAOYSA-N 0 0 228.572 3.507 10 0 BHAERN CCOC(=O)CC/C(C)=C/c1ccc(F)cc1 ZINC000144829568 342753020 /nfs/dbraw/zinc/75/30/20/342753020.db2.gz CURBHPRDJZCBQZ-ZHACJKMWSA-N 0 0 236.286 3.572 10 0 BHAERN CCC/C=C(/I)CCC ZINC000144835705 345925926 /nfs/dbraw/zinc/92/59/26/345925926.db2.gz NEWLPVVMXHIAJU-BQYQJAHWSA-N 0 0 238.112 3.906 10 0 BHAERN Cc1cc(F)ccc1-c1ccnc2[nH]ccc21 ZINC000144855465 343140176 /nfs/dbraw/zinc/14/01/76/343140176.db2.gz JOXOXSXVIOIALY-UHFFFAOYSA-N 0 0 226.254 3.677 10 0 BHAERN O=C1c2ccccc2CCc2c(Cl)cccc21 ZINC000144875335 342753818 /nfs/dbraw/zinc/75/38/18/342753818.db2.gz UARWLAOATPMYKK-UHFFFAOYSA-N 0 0 242.705 3.670 10 0 BHAERN Cc1cc(Cl)cc(OC(F)(F)F)c1 ZINC000144882393 343032061 /nfs/dbraw/zinc/03/20/61/343032061.db2.gz ARFJVIHXFMGDRD-UHFFFAOYSA-N 0 0 210.582 3.547 10 0 BHAERN CCc1ccc(Cc2cc(F)ccc2N)cc1 ZINC000144971612 342756636 /nfs/dbraw/zinc/75/66/36/342756636.db2.gz GBCOAQHNUKXCLT-UHFFFAOYSA-N 0 0 229.298 3.561 10 0 BHAERN CSc1nc2ccc(Cl)cc2s1 ZINC000144992940 384770428 /nfs/dbraw/zinc/77/04/28/384770428.db2.gz AQWCMNMOJABEAY-UHFFFAOYSA-N 0 0 215.730 3.672 10 0 BHAERN COCCn1ccc2c1cc(Cl)cc2Cl ZINC000145021041 398337902 /nfs/dbraw/zinc/33/79/02/398337902.db2.gz LKGTXHKCEVCDGA-UHFFFAOYSA-N 0 0 244.121 3.595 10 0 BHAERN c1coc(Cc2ccc(-c3ccccc3)[nH]2)c1 ZINC000145037298 342758086 /nfs/dbraw/zinc/75/80/86/342758086.db2.gz GHODOPCMEWQIBX-UHFFFAOYSA-N 0 0 223.275 3.866 10 0 BHAERN FC1(F)SC(F)(F)C(Cl)=C1Cl ZINC000145059084 342758306 /nfs/dbraw/zinc/75/83/06/342758306.db2.gz OLSAXNMRBPZOPO-UHFFFAOYSA-N 0 0 227.009 3.608 10 0 BHAERN N=C(Sc1ccc(Cl)cc1)C(F)(F)F ZINC000145118369 345047787 /nfs/dbraw/zinc/04/77/87/345047787.db2.gz LJIQQPWXVUJMTD-UHFFFAOYSA-N 0 0 239.649 3.972 10 0 BHAERN CCCCCSCC(=O)c1ccccc1 ZINC000145138450 343138665 /nfs/dbraw/zinc/13/86/65/343138665.db2.gz ZZTHRKOAMWRQTA-UHFFFAOYSA-N 0 0 222.353 3.793 10 0 BHAERN COc1cc([C@@H](C)C=O)ccc1-c1ccccc1 ZINC000145141473 345930797 /nfs/dbraw/zinc/93/07/97/345930797.db2.gz JSUZPEWPRWHNSL-LBPRGKRZSA-N 0 0 240.302 3.665 10 0 BHAERN COc1cc([C@H](C)C=O)ccc1-c1ccccc1 ZINC000145141685 345930672 /nfs/dbraw/zinc/93/06/72/345930672.db2.gz JSUZPEWPRWHNSL-GFCCVEGCSA-N 0 0 240.302 3.665 10 0 BHAERN CC(=O)c1c(Cl)c(F)c(F)c(F)c1Cl ZINC000145177537 343240789 /nfs/dbraw/zinc/24/07/89/343240789.db2.gz JIWWVVISHLNECF-UHFFFAOYSA-N 0 0 243.011 3.613 10 0 BHAERN CSc1cccc(C2(O)CCCCC2)c1 ZINC000145213045 342760299 /nfs/dbraw/zinc/76/02/99/342760299.db2.gz CUFPGYMGJOBJKH-UHFFFAOYSA-N 0 0 222.353 3.560 10 0 BHAERN Cc1cc(Cl)cc(C)c1CBr ZINC000145225461 350145166 /nfs/dbraw/zinc/14/51/66/350145166.db2.gz FYIVZEYEURWVDB-UHFFFAOYSA-N 0 0 233.536 3.852 10 0 BHAERN Cc1nc2c(cc(Br)cc2Cl)o1 ZINC000145256220 343698955 /nfs/dbraw/zinc/69/89/55/343698955.db2.gz LNGSJFCJBPIRPR-UHFFFAOYSA-N 0 0 246.491 3.552 10 0 BHAERN CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)C)C1 ZINC000145266510 343701612 /nfs/dbraw/zinc/70/16/12/343701612.db2.gz NJGMOTKDCKHRQH-NSHDSACASA-N 0 0 241.375 3.680 10 0 BHAERN CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)C)C1 ZINC000145268821 343701973 /nfs/dbraw/zinc/70/19/73/343701973.db2.gz NJGMOTKDCKHRQH-LLVKDONJSA-N 0 0 241.375 3.680 10 0 BHAERN O=C(Cl)c1c(Cl)cccc1C1CCC1 ZINC000145374833 384774546 /nfs/dbraw/zinc/77/45/46/384774546.db2.gz AIOVHTUHMUDFQR-UHFFFAOYSA-N 0 0 229.106 3.987 10 0 BHAERN FC(F)(F)c1ccnc(-c2ccccc2)c1 ZINC000145412329 344186494 /nfs/dbraw/zinc/18/64/94/344186494.db2.gz REDAFVDCJUCVET-UHFFFAOYSA-N 0 0 223.197 3.767 10 0 BHAERN CC(=O)c1ccc2c(c1)CCCC2(C)C ZINC000145437059 384776118 /nfs/dbraw/zinc/77/61/18/384776118.db2.gz TUOWBVGRZCYMGX-UHFFFAOYSA-N 0 0 202.297 3.503 10 0 BHAERN CC(=O)c1ccc2c(c1)C(C)(C)CCC2 ZINC000145437700 187299449 /nfs/dbraw/zinc/29/94/49/187299449.db2.gz YXIIZVXPGZQGQP-UHFFFAOYSA-N 0 0 202.297 3.503 10 0 BHAERN CC[C@@H]1Nc2c(C)cccc2-n2cccc21 ZINC000145456157 344330858 /nfs/dbraw/zinc/33/08/58/344330858.db2.gz UNLGSIXIQBQWGG-NSHDSACASA-N 0 0 212.296 3.662 10 0 BHAERN CC[C@H]1Nc2c(C)cccc2-n2cccc21 ZINC000145456348 344330869 /nfs/dbraw/zinc/33/08/69/344330869.db2.gz UNLGSIXIQBQWGG-LLVKDONJSA-N 0 0 212.296 3.662 10 0 BHAERN Nc1onc(-c2ccccc2)c1C1=CCCCC1 ZINC000145491977 356481886 /nfs/dbraw/zinc/48/18/86/356481886.db2.gz FZBZYICSJVNRSN-UHFFFAOYSA-N 0 0 240.306 3.881 10 0 BHAERN CC(=O)N1Cc2ccccc2C=Cc2ccccc21 ZINC000145494535 342761572 /nfs/dbraw/zinc/76/15/72/342761572.db2.gz STANXALGSKPHIH-UHFFFAOYSA-N 0 0 249.313 3.724 10 0 BHAERN CC(C)c1cc(-c2ccc(F)cc2)on1 ZINC000145505406 349333966 /nfs/dbraw/zinc/33/39/66/349333966.db2.gz FYDAMFQMNJYRGN-UHFFFAOYSA-N 0 0 205.232 3.604 10 0 BHAERN Cc1ccccc1[C@@H]1CCc2cc(O)ccc2O1 ZINC000145515266 344294727 /nfs/dbraw/zinc/29/47/27/344294727.db2.gz MBEKIFZARFVPRG-INIZCTEOSA-N 0 0 240.302 3.767 10 0 BHAERN Cc1ccccc1[C@H]1CCc2cc(O)ccc2O1 ZINC000145515463 344294653 /nfs/dbraw/zinc/29/46/53/344294653.db2.gz MBEKIFZARFVPRG-MRXNPFEDSA-N 0 0 240.302 3.767 10 0 BHAERN CC1(C)C[C@@H](O)C[C@@](C)(CNc2ccccc2)C1 ZINC000145548884 345938928 /nfs/dbraw/zinc/93/89/28/345938928.db2.gz JWEIHFJNWQTSSS-GDBMZVCRSA-N 0 0 247.382 3.676 10 0 BHAERN Cc1cc(C)c(-c2ccccc2)c(C)c1N ZINC000145620410 582859252 /nfs/dbraw/zinc/85/92/52/582859252.db2.gz WBNZEKUSFJUAJG-UHFFFAOYSA-N 0 0 211.308 3.861 10 0 BHAERN Oc1ccc2c(c1)CC[C@@H](c1ccsc1)O2 ZINC000145655385 344373330 /nfs/dbraw/zinc/37/33/30/344373330.db2.gz UACCLTSYTXHWMT-ZDUSSCGKSA-N 0 0 232.304 3.520 10 0 BHAERN Oc1ccc2c(c1)CC[C@H](c1ccsc1)O2 ZINC000145655565 344373592 /nfs/dbraw/zinc/37/35/92/344373592.db2.gz UACCLTSYTXHWMT-CYBMUJFWSA-N 0 0 232.304 3.520 10 0 BHAERN O=C1CC[C@@H](c2c[nH]c3c2cccc3Cl)C1 ZINC000145662157 344373461 /nfs/dbraw/zinc/37/34/61/344373461.db2.gz LNYGZSOUKBSKCO-MRVPVSSYSA-N 0 0 233.698 3.658 10 0 BHAERN O=C1CC[C@H](c2c[nH]c3c2cccc3Cl)C1 ZINC000145662361 344373393 /nfs/dbraw/zinc/37/33/93/344373393.db2.gz LNYGZSOUKBSKCO-QMMMGPOBSA-N 0 0 233.698 3.658 10 0 BHAERN O=Cc1cc(C(F)(F)F)cc(Cl)c1Cl ZINC000145721323 344385330 /nfs/dbraw/zinc/38/53/30/344385330.db2.gz GJBREBLJVDEOCQ-UHFFFAOYSA-N 0 0 243.011 3.825 10 0 BHAERN Fc1ccc(C(Cl)(Cl)Cl)cc1F ZINC000145790878 356482132 /nfs/dbraw/zinc/48/21/32/356482132.db2.gz KAVHKCGLLMKDAL-UHFFFAOYSA-N 0 0 231.456 3.792 10 0 BHAERN Fc1cccc2c(Br)csc21 ZINC000145798092 356481844 /nfs/dbraw/zinc/48/18/44/356481844.db2.gz YKCDCTCEGXQORR-UHFFFAOYSA-N 0 0 231.089 3.803 10 0 BHAERN COc1ccccc1Cc1cc(Cl)ccc1N ZINC000145847856 342763584 /nfs/dbraw/zinc/76/35/84/342763584.db2.gz MLMAYCOFZQGEFA-UHFFFAOYSA-N 0 0 247.725 3.522 10 0 BHAERN Clc1ncc(Nc2ccccc2)c(Cl)n1 ZINC000145851494 384787677 /nfs/dbraw/zinc/78/76/77/384787677.db2.gz AHDKVOVFUZFIBQ-UHFFFAOYSA-N 0 0 240.093 3.527 10 0 BHAERN CC(C)(C)c1cccc2c(Cl)ncnc21 ZINC000145891757 187298949 /nfs/dbraw/zinc/29/89/49/187298949.db2.gz KGBWJMDHVPUCPV-UHFFFAOYSA-N 0 0 220.703 3.581 10 0 BHAERN CCn1c2ccc(C)cc2c2cc(C=O)ccc21 ZINC000145896707 342763076 /nfs/dbraw/zinc/76/30/76/342763076.db2.gz HCGBMDUGOPYCQP-UHFFFAOYSA-N 0 0 237.302 3.935 10 0 BHAERN COc1ccc(-c2ccc(C)cc2)cc1F ZINC000145905462 582490114 /nfs/dbraw/zinc/49/01/14/582490114.db2.gz YCZRVSWTOURVPF-UHFFFAOYSA-N 0 0 216.255 3.810 10 0 BHAERN Clc1ccc2c(c1)CNc1ccccc1CO2 ZINC000145918105 342763247 /nfs/dbraw/zinc/76/32/47/342763247.db2.gz LEOQWZNMZCCLSR-UHFFFAOYSA-N 0 0 245.709 3.845 10 0 BHAERN CCc1ccc(Br)c(CC)c1 ZINC000145942059 345002843 /nfs/dbraw/zinc/00/28/43/345002843.db2.gz VXJWLNRXHYXWOJ-UHFFFAOYSA-N 0 0 213.118 3.574 10 0 BHAERN ClCc1c(Cl)ncc2ccccc21 ZINC000145955591 342764445 /nfs/dbraw/zinc/76/44/45/342764445.db2.gz ICDRROJXRNPLLX-UHFFFAOYSA-N 0 0 212.079 3.627 10 0 BHAERN Cc1cccnc1-c1cc(Cl)ncc1Cl ZINC000145996319 342763993 /nfs/dbraw/zinc/76/39/93/342763993.db2.gz FAAOMTUYFWAKHY-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN CC[C@@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC000146026580 342765261 /nfs/dbraw/zinc/76/52/61/342765261.db2.gz MVGGOHGWFNUNSQ-MRVPVSSYSA-N 0 0 218.218 3.883 10 0 BHAERN CC[C@H](C)Oc1ccc(C(F)(F)F)cc1 ZINC000146026742 345949158 /nfs/dbraw/zinc/94/91/58/345949158.db2.gz MVGGOHGWFNUNSQ-QMMMGPOBSA-N 0 0 218.218 3.883 10 0 BHAERN CC(=O)c1ccc(C2CCCCC2)c(N)c1 ZINC000146041786 345234347 /nfs/dbraw/zinc/23/43/47/345234347.db2.gz BQMGEZLLJGBFPA-UHFFFAOYSA-N 0 0 217.312 3.519 10 0 BHAERN CC(C)(C)c1ccc2c(Cl)nccc2n1 ZINC000146070826 384786805 /nfs/dbraw/zinc/78/68/05/384786805.db2.gz AUKZUPBMJHLTPP-UHFFFAOYSA-N 0 0 220.703 3.581 10 0 BHAERN Cc1cccc2c1cc(-c1ccccc1)[nH]c2=O ZINC000146077723 345048428 /nfs/dbraw/zinc/04/84/28/345048428.db2.gz MTORTMDPZWJMPQ-UHFFFAOYSA-N 0 0 235.286 3.504 10 0 BHAERN Cc1cccc(C)c1C1CCC2(CC1)OCCO2 ZINC000146078829 342765883 /nfs/dbraw/zinc/76/58/83/342765883.db2.gz AMZXGSMAESJQNZ-UHFFFAOYSA-N 0 0 246.350 3.704 10 0 BHAERN CC(C)(C)c1cc(Cl)c(Cl)cn1 ZINC000146092923 344751420 /nfs/dbraw/zinc/75/14/20/344751420.db2.gz JUJWKZGIMPOHRK-UHFFFAOYSA-N 0 0 204.100 3.686 10 0 BHAERN O=Cc1ccccc1-c1cc2ccccc2o1 ZINC000146120642 582608630 /nfs/dbraw/zinc/60/86/30/582608630.db2.gz JODPRUACXRHHSK-UHFFFAOYSA-N 0 0 222.243 3.912 10 0 BHAERN O=Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000146123377 385134617 /nfs/dbraw/zinc/13/46/17/385134617.db2.gz ZUHNTBRGYUKODM-UHFFFAOYSA-N 0 0 216.667 3.820 10 0 BHAERN Fc1ccc(C2=Cc3ccccc3C2)cc1 ZINC000146128221 342765920 /nfs/dbraw/zinc/76/59/20/342765920.db2.gz UERAPMGLAQSZTO-UHFFFAOYSA-N 0 0 210.251 3.922 10 0 BHAERN O=c1cc(-c2ccccc2)cc2[nH]cccc1-2 ZINC000146168331 343282679 /nfs/dbraw/zinc/28/26/79/343282679.db2.gz KHNHOYCEZODCOH-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN Cc1cccc(C)c1C1CCC(=O)CC1 ZINC000146177712 342767086 /nfs/dbraw/zinc/76/70/86/342767086.db2.gz IBIXNIZOWMASBT-UHFFFAOYSA-N 0 0 202.297 3.530 10 0 BHAERN COc1cc2ccccc2cc1SC ZINC000146241680 356486007 /nfs/dbraw/zinc/48/60/07/356486007.db2.gz DENVFRPAVPSEDJ-UHFFFAOYSA-N 0 0 204.294 3.570 10 0 BHAERN Clc1cccc2c3ncccc3oc21 ZINC000146250506 342768419 /nfs/dbraw/zinc/76/84/19/342768419.db2.gz JMWYLCVIHKMORZ-UHFFFAOYSA-N 0 0 203.628 3.634 10 0 BHAERN Nc1csc2cc(C(F)(F)F)ccc12 ZINC000146317425 384793549 /nfs/dbraw/zinc/79/35/49/384793549.db2.gz SJOOKFNHLSDUQD-UHFFFAOYSA-N 0 0 217.215 3.502 10 0 BHAERN Nc1csc2ccc(C(F)(F)F)cc12 ZINC000146319231 384793200 /nfs/dbraw/zinc/79/32/00/384793200.db2.gz ZSBLDMVDYCTMOQ-UHFFFAOYSA-N 0 0 217.215 3.502 10 0 BHAERN Cc1cccc(OCC2CC2)c1Br ZINC000146385520 487615250 /nfs/dbraw/zinc/61/52/50/487615250.db2.gz XLYDNBBJSBDNMN-UHFFFAOYSA-N 0 0 241.128 3.546 10 0 BHAERN Brc1ccccc1-c1cccnc1 ZINC000146489940 487842250 /nfs/dbraw/zinc/84/22/50/487842250.db2.gz XEQMSSLGEYCVDC-UHFFFAOYSA-N 0 0 234.096 3.511 10 0 BHAERN C[C@H](Oc1ccncc1C1CCC1)C(F)(F)F ZINC000146534518 342769698 /nfs/dbraw/zinc/76/96/98/342769698.db2.gz LYWGJGKJBGGHIP-QMMMGPOBSA-N 0 0 245.244 3.679 10 0 BHAERN CC(=O)Nc1ccccc1-c1ccc(Cl)cc1 ZINC000146547004 342770032 /nfs/dbraw/zinc/77/00/32/342770032.db2.gz CLALPFLFHOPCMF-UHFFFAOYSA-N 0 0 245.709 3.965 10 0 BHAERN CCCCc1cc2ccc(CC)cn2c1 ZINC000146575098 342769979 /nfs/dbraw/zinc/76/99/79/342769979.db2.gz WYVMZZMROOQGBH-UHFFFAOYSA-N 0 0 201.313 3.844 10 0 BHAERN Cc1ccc(-c2ccccc2C=O)c(F)c1 ZINC000146617742 582872996 /nfs/dbraw/zinc/87/29/96/582872996.db2.gz NNVOWXXCTSFLSN-UHFFFAOYSA-N 0 0 214.239 3.614 10 0 BHAERN CCCCOc1ccc2c(C)ccnc2c1 ZINC000146638403 342769752 /nfs/dbraw/zinc/76/97/52/342769752.db2.gz LBCNEFGOQYPAIJ-UHFFFAOYSA-N 0 0 215.296 3.722 10 0 BHAERN Oc1ccc(Cl)nc1-c1cc2ccccc2[nH]1 ZINC000146677440 342771516 /nfs/dbraw/zinc/77/15/16/342771516.db2.gz DBSGVZLABQDDEU-UHFFFAOYSA-N 0 0 244.681 3.589 10 0 BHAERN CC[C@@H](O)c1ccc(Cc2ccc(F)cc2)cc1 ZINC000146717921 342771307 /nfs/dbraw/zinc/77/13/07/342771307.db2.gz IORWNEPCMWCBER-MRXNPFEDSA-N 0 0 244.309 3.860 10 0 BHAERN CC[C@H](O)c1ccc(Cc2ccc(F)cc2)cc1 ZINC000146718108 342771193 /nfs/dbraw/zinc/77/11/93/342771193.db2.gz IORWNEPCMWCBER-INIZCTEOSA-N 0 0 244.309 3.860 10 0 BHAERN O=Cc1cccc(Cl)c1OCc1ccccc1 ZINC000146774965 487898544 /nfs/dbraw/zinc/89/85/44/487898544.db2.gz SJMNONQHCYDKMH-UHFFFAOYSA-N 0 0 246.693 3.732 10 0 BHAERN Clc1nsc2cccc(Cl)c12 ZINC000146785233 582982686 /nfs/dbraw/zinc/98/26/86/582982686.db2.gz XCGZCFRDYWZKRV-UHFFFAOYSA-N 0 0 204.081 3.603 10 0 BHAERN CCc1cc(OCc2ccccc2)ccc1C=O ZINC000146803287 347392277 /nfs/dbraw/zinc/39/22/77/347392277.db2.gz AQNCADQRMAVJTL-UHFFFAOYSA-N 0 0 240.302 3.641 10 0 BHAERN OCC1(c2ccc(Cl)cc2Cl)CCCC1 ZINC000146823357 368394455 /nfs/dbraw/zinc/39/44/55/368394455.db2.gz XJRIFPPLUIYHPN-UHFFFAOYSA-N 0 0 245.149 3.798 10 0 BHAERN COc1ccc2c(cccc2OC(C)C)c1 ZINC000146909179 343319556 /nfs/dbraw/zinc/31/95/56/343319556.db2.gz RFVGWKGXIDITMO-UHFFFAOYSA-N 0 0 216.280 3.636 10 0 BHAERN COc1ccc(-c2ccc(C(C)=O)cc2F)cc1 ZINC000147054282 368308784 /nfs/dbraw/zinc/30/87/84/368308784.db2.gz MNMKJPRHMAHVAM-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN COc1cccc2[nH]c(C3=CCCC3)cc21 ZINC000147064189 175297431 /nfs/dbraw/zinc/29/74/31/175297431.db2.gz MVMGJRFJEZHAHY-UHFFFAOYSA-N 0 0 213.280 3.744 10 0 BHAERN Cc1c2c(ccc1N)sc1ccccc12 ZINC000147082376 342773789 /nfs/dbraw/zinc/77/37/89/342773789.db2.gz RPQWFMOFZIPBBN-UHFFFAOYSA-N 0 0 213.305 3.945 10 0 BHAERN CCOc1cc(F)ccc1-c1ccc(C=O)cc1 ZINC000147158592 583230711 /nfs/dbraw/zinc/23/07/11/583230711.db2.gz STZAHAOLNYYURN-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN COc1ccc([C@@H]2CCCCS2)cc1 ZINC000147295578 346012119 /nfs/dbraw/zinc/01/21/19/346012119.db2.gz XNJKTKCFXDETSG-LBPRGKRZSA-N 0 0 208.326 3.653 10 0 BHAERN COc1ccc([C@H]2CCCCS2)cc1 ZINC000147295814 342774339 /nfs/dbraw/zinc/77/43/39/342774339.db2.gz XNJKTKCFXDETSG-GFCCVEGCSA-N 0 0 208.326 3.653 10 0 BHAERN C/C=C(/CC)c1ccc(C(=O)OC)c(C)c1 ZINC000147305744 342774007 /nfs/dbraw/zinc/77/40/07/342774007.db2.gz GJGADWVANADUTH-WZUFQYTHSA-N 0 0 218.296 3.595 10 0 BHAERN CCOP(=O)(/C=C/c1cccs1)OCC ZINC000147317882 342774147 /nfs/dbraw/zinc/77/41/47/342774147.db2.gz LQPOQNZLIWOQQR-BQYQJAHWSA-N 0 0 246.268 3.985 10 0 BHAERN CCc1c(=S)ssc1-c1cnccn1 ZINC000147356859 384452321 /nfs/dbraw/zinc/45/23/21/384452321.db2.gz CQSJRKJLBASPFN-UHFFFAOYSA-N 0 0 240.378 3.558 10 0 BHAERN CCC(=O)c1ccccc1NC(=O)OC(C)(C)C ZINC000147385580 582869386 /nfs/dbraw/zinc/86/93/86/582869386.db2.gz UUSAUPDEHYOLKK-UHFFFAOYSA-N 0 0 249.310 3.626 10 0 BHAERN FC(F)c1ccc(-c2ccccn2)cc1 ZINC000147392909 342775447 /nfs/dbraw/zinc/77/54/47/342775447.db2.gz WLVFOKDTYBNZAG-UHFFFAOYSA-N 0 0 205.207 3.686 10 0 BHAERN CC(=O)c1cc2cccc(Cl)c2nc1Cl ZINC000147461977 398344715 /nfs/dbraw/zinc/34/47/15/398344715.db2.gz AJAUVTPVZOUZRP-UHFFFAOYSA-N 0 0 240.089 3.744 10 0 BHAERN O=Cc1c[nH]c2cc(-c3ccccc3)ccc12 ZINC000147499427 537929582 /nfs/dbraw/zinc/92/95/82/537929582.db2.gz ZGUVWRGGPVNMEK-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN Cc1cc2c(ccn2C(=O)OC(C)(C)C)cc1F ZINC000147587124 368350538 /nfs/dbraw/zinc/35/05/38/368350538.db2.gz RHMOIKYJRHBKNP-UHFFFAOYSA-N 0 0 249.285 3.872 10 0 BHAERN S=c1[nH]c2ccc(Cc3ccccc3)cc2[nH]1 ZINC000147643873 342778339 /nfs/dbraw/zinc/77/83/39/342778339.db2.gz JJRZUSPQPHTBID-UHFFFAOYSA-N 0 0 240.331 3.816 10 0 BHAERN CCCCC[C@@H](C)Cc1cc(O)cc(O)c1 ZINC000147717043 343379315 /nfs/dbraw/zinc/37/93/15/343379315.db2.gz PWGPXFCTTIDOMD-LLVKDONJSA-N 0 0 222.328 3.857 10 0 BHAERN CCCCC[C@H](C)Cc1cc(O)cc(O)c1 ZINC000147717252 343379425 /nfs/dbraw/zinc/37/94/25/343379425.db2.gz PWGPXFCTTIDOMD-NSHDSACASA-N 0 0 222.328 3.857 10 0 BHAERN CCCCC(C)(C)[C@@H](O)c1cccc(O)c1 ZINC000147773172 342779879 /nfs/dbraw/zinc/77/98/79/342779879.db2.gz PLUHGMMEOVDGFO-ZDUSSCGKSA-N 0 0 222.328 3.642 10 0 BHAERN CCCCC(C)(C)[C@H](O)c1cccc(O)c1 ZINC000147773393 342779786 /nfs/dbraw/zinc/77/97/86/342779786.db2.gz PLUHGMMEOVDGFO-CYBMUJFWSA-N 0 0 222.328 3.642 10 0 BHAERN CCC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000147775806 364695454 /nfs/dbraw/zinc/69/54/54/364695454.db2.gz AFUQAJDMKYGMMY-UHFFFAOYSA-N 0 0 236.620 3.952 10 0 BHAERN CC(C)c1ccc(Br)cc1F ZINC000147905669 537959130 /nfs/dbraw/zinc/95/91/30/537959130.db2.gz PAYWIMMOVUPBHF-UHFFFAOYSA-N 0 0 217.081 3.712 10 0 BHAERN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)CC2=O ZINC000147930845 342783133 /nfs/dbraw/zinc/78/31/33/342783133.db2.gz SFIFMYVFXHOFOY-AWEZNQCLSA-N 0 0 240.277 3.852 10 0 BHAERN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)CC2=O ZINC000147931084 343381483 /nfs/dbraw/zinc/38/14/83/343381483.db2.gz SFIFMYVFXHOFOY-CQSZACIVSA-N 0 0 240.277 3.852 10 0 BHAERN O[C@H]1C[C@@H](c2ccccc2)c2cc(Cl)ccc21 ZINC000147936284 342783334 /nfs/dbraw/zinc/78/33/34/342783334.db2.gz VUDDHWYKLGXWRZ-ZFWWWQNUSA-N 0 0 244.721 3.909 10 0 BHAERN O[C@H]1C[C@H](c2ccccc2)c2cc(Cl)ccc21 ZINC000147936507 342783417 /nfs/dbraw/zinc/78/34/17/342783417.db2.gz VUDDHWYKLGXWRZ-HIFRSBDPSA-N 0 0 244.721 3.909 10 0 BHAERN O[C@@H]1C[C@@H](c2ccccc2)c2cc(Cl)ccc21 ZINC000147936726 343381872 /nfs/dbraw/zinc/38/18/72/343381872.db2.gz VUDDHWYKLGXWRZ-DZGCQCFKSA-N 0 0 244.721 3.909 10 0 BHAERN O[C@@H]1C[C@H](c2ccccc2)c2cc(Cl)ccc21 ZINC000147936954 343381904 /nfs/dbraw/zinc/38/19/04/343381904.db2.gz VUDDHWYKLGXWRZ-UKRRQHHQSA-N 0 0 244.721 3.909 10 0 BHAERN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)C[C@@H]2O ZINC000147937162 343382044 /nfs/dbraw/zinc/38/20/44/343382044.db2.gz IORSZPSGJDYADW-HOCLYGCPSA-N 0 0 242.293 3.703 10 0 BHAERN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)C[C@@H]2O ZINC000147937377 342783457 /nfs/dbraw/zinc/78/34/57/342783457.db2.gz IORSZPSGJDYADW-ZBFHGGJFSA-N 0 0 242.293 3.703 10 0 BHAERN Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)C[C@H]2O ZINC000147937569 343382103 /nfs/dbraw/zinc/38/21/03/343382103.db2.gz IORSZPSGJDYADW-GOEBONIOSA-N 0 0 242.293 3.703 10 0 BHAERN Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)C[C@H]2O ZINC000147937777 342783377 /nfs/dbraw/zinc/78/33/77/342783377.db2.gz IORSZPSGJDYADW-GDBMZVCRSA-N 0 0 242.293 3.703 10 0 BHAERN CC(C)(C)C(=O)c1c(F)cccc1Cl ZINC000148017667 346502070 /nfs/dbraw/zinc/50/20/70/346502070.db2.gz RGUNXICQPKJEHJ-UHFFFAOYSA-N 0 0 214.667 3.708 10 0 BHAERN CCCNc1cccc(Br)c1C ZINC000148031325 346032249 /nfs/dbraw/zinc/03/22/49/346032249.db2.gz DYYQACNIJYWARH-UHFFFAOYSA-N 0 0 228.133 3.579 10 0 BHAERN CC(C)C(=O)N(C)c1ccc(Cl)c(Cl)c1 ZINC000148043460 342787449 /nfs/dbraw/zinc/78/74/49/342787449.db2.gz MDORKDXMIXULSZ-UHFFFAOYSA-N 0 0 246.137 3.612 10 0 BHAERN O=Cc1ccccc1-c1cc(Cl)ccc1O ZINC000148070322 187298831 /nfs/dbraw/zinc/29/88/31/187298831.db2.gz NOJRJIIZRZOMCU-UHFFFAOYSA-N 0 0 232.666 3.525 10 0 BHAERN Cc1c2onc(-c3ccccc3F)c2ccc1O ZINC000148093954 343387884 /nfs/dbraw/zinc/38/78/84/343387884.db2.gz FOZOHAAZZFMXAY-UHFFFAOYSA-N 0 0 243.237 3.648 10 0 BHAERN O[C@H]1CC=C(c2ccc(C(F)(F)F)cc2)CC1 ZINC000148101434 342788065 /nfs/dbraw/zinc/78/80/65/342788065.db2.gz JMPBHBMJNNWGID-LBPRGKRZSA-N 0 0 242.240 3.634 10 0 BHAERN O[C@@H]1CC=C(c2ccc(C(F)(F)F)cc2)CC1 ZINC000148101648 342787905 /nfs/dbraw/zinc/78/79/05/342787905.db2.gz JMPBHBMJNNWGID-GFCCVEGCSA-N 0 0 242.240 3.634 10 0 BHAERN CCOC(=O)c1ccc(C=C(C)C)cc1C ZINC000148177742 342788863 /nfs/dbraw/zinc/78/88/63/342788863.db2.gz OBIUGTJLBMVVKE-UHFFFAOYSA-N 0 0 218.296 3.595 10 0 BHAERN CCOc1cc(C=O)ccc1-c1ccccc1 ZINC000148210130 342789135 /nfs/dbraw/zinc/78/91/35/342789135.db2.gz JOBDCWBNPLZUIV-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN COc1ccc(C2=CCc3ccccc32)cc1 ZINC000148251014 342790176 /nfs/dbraw/zinc/79/01/76/342790176.db2.gz HTWVIVJIDLENON-UHFFFAOYSA-N 0 0 222.287 3.683 10 0 BHAERN Cc1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC000148268371 349372429 /nfs/dbraw/zinc/37/24/29/349372429.db2.gz RHXXYYJKZJRAJO-UHFFFAOYSA-N 0 0 237.089 3.722 10 0 BHAERN Cc1cc(C)cc([C@@H](C)NCC(F)(F)F)c1 ZINC000148333231 191113330 /nfs/dbraw/zinc/11/33/30/191113330.db2.gz KNTDAQDLJYSWHE-SNVBAGLBSA-N 0 0 231.261 3.516 10 0 BHAERN Cc1cc(C)cc([C@H](C)NCC(F)(F)F)c1 ZINC000148333438 191113249 /nfs/dbraw/zinc/11/32/49/191113249.db2.gz KNTDAQDLJYSWHE-JTQLQIEISA-N 0 0 231.261 3.516 10 0 BHAERN Cc1cc(OC(F)(F)F)cc(Cl)c1F ZINC000148362377 346061941 /nfs/dbraw/zinc/06/19/41/346061941.db2.gz GSSGERIWFXJIAX-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN Nc1csc(-c2ccccc2)c1Cl ZINC000148372904 346068154 /nfs/dbraw/zinc/06/81/54/346068154.db2.gz MXMAUDMTDCLUNN-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN CCc1cc(-c2ccc(OC)cc2C)ccc1N ZINC000148379481 488097874 /nfs/dbraw/zinc/09/78/74/488097874.db2.gz JZWNZHFSQBCJGQ-UHFFFAOYSA-N 0 0 241.334 3.815 10 0 BHAERN Nc1cc(Cl)cnc1Sc1cccs1 ZINC000148432998 346123525 /nfs/dbraw/zinc/12/35/25/346123525.db2.gz RWJXEPSWDFQVDQ-UHFFFAOYSA-N 0 0 242.756 3.530 10 0 BHAERN C/C(=C\CO)c1ccc2c(c1)Cc1ccccc1-2 ZINC000148449660 342791224 /nfs/dbraw/zinc/79/12/24/342791224.db2.gz WNFUCVUJYJRARR-XYOKQWHBSA-N 0 0 236.314 3.653 10 0 BHAERN C(/C=C/c1ccncc1)=C\c1ccccc1 ZINC000148475074 342791490 /nfs/dbraw/zinc/79/14/90/342791490.db2.gz MWKZJMYJYZNFNR-KBXRYBNXSA-N 0 0 207.276 3.808 10 0 BHAERN Oc1c2ccsc2c(O)c2ccsc21 ZINC000148487706 342791371 /nfs/dbraw/zinc/79/13/71/342791371.db2.gz YIXFOGFVHYUVOR-UHFFFAOYSA-N 0 0 222.290 3.527 10 0 BHAERN Cl/C(Br)=C\c1ccccc1 ZINC000148527247 342791536 /nfs/dbraw/zinc/79/15/36/342791536.db2.gz JCIMPKROVFAHTN-VURMDHGXSA-N 0 0 217.493 3.619 10 0 BHAERN Nc1cccc(-c2ccsc2Cl)c1 ZINC000148570445 346332064 /nfs/dbraw/zinc/33/20/64/346332064.db2.gz FOWYZSFFXFKJNV-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Fc1cc(Br)c2ccccc2c1 ZINC000148578191 346502529 /nfs/dbraw/zinc/50/25/29/346502529.db2.gz ANIVZBBYWMPEOI-UHFFFAOYSA-N 0 0 225.060 3.741 10 0 BHAERN CCOC1=NC[C@H](c2ccccc2Cl)CC1 ZINC000148600133 342792057 /nfs/dbraw/zinc/79/20/57/342792057.db2.gz UJQLQIDFNKNIFB-SNVBAGLBSA-N 0 0 237.730 3.652 10 0 BHAERN CCOC1=NC[C@@H](c2ccccc2Cl)CC1 ZINC000148600313 342791972 /nfs/dbraw/zinc/79/19/72/342791972.db2.gz UJQLQIDFNKNIFB-JTQLQIEISA-N 0 0 237.730 3.652 10 0 BHAERN Cc1ccnc(-c2ccc(Br)cc2)c1 ZINC000148607322 346503390 /nfs/dbraw/zinc/50/33/90/346503390.db2.gz DEGAQWXCUKVJBR-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN CCc1ccc2c(F)c(F)c(F)cc2c1C=O ZINC000148610261 342792001 /nfs/dbraw/zinc/79/20/01/342792001.db2.gz WXHLNYHEJPQETN-UHFFFAOYSA-N 0 0 238.208 3.632 10 0 BHAERN CCc1ccc2ccc(Cl)cc2c1C=O ZINC000148627807 343394245 /nfs/dbraw/zinc/39/42/45/343394245.db2.gz PNESFLOTKSMZHF-UHFFFAOYSA-N 0 0 218.683 3.868 10 0 BHAERN CCc1cc(F)c2ccc(C)cc2c1C=O ZINC000148673867 343394993 /nfs/dbraw/zinc/39/49/93/343394993.db2.gz MBYIGERHWALVKZ-UHFFFAOYSA-N 0 0 216.255 3.662 10 0 BHAERN CCc1ccc2c(F)cc(C)cc2c1C=O ZINC000148687244 342792239 /nfs/dbraw/zinc/79/22/39/342792239.db2.gz XFUGSXVMHGXNDP-UHFFFAOYSA-N 0 0 216.255 3.662 10 0 BHAERN C=Cc1ccc2ccc(F)c(F)c2c1C=O ZINC000148712748 342792259 /nfs/dbraw/zinc/79/22/59/342792259.db2.gz FSOBDHLGBSILAB-UHFFFAOYSA-N 0 0 218.202 3.574 10 0 BHAERN CCc1cc(CC)c(CC)c(C=O)c1CC ZINC000148714163 342792360 /nfs/dbraw/zinc/79/23/60/342792360.db2.gz KZMOQTTZIMVSOG-UHFFFAOYSA-N 0 0 218.340 3.749 10 0 BHAERN CCCCc1cc(C)c(C)c(C=O)c1C ZINC000148738682 342792650 /nfs/dbraw/zinc/79/26/50/342792650.db2.gz IRPFVPDMBYMSRL-UHFFFAOYSA-N 0 0 204.313 3.767 10 0 BHAERN CCC#CCOc1c(C)c(C)c(C=O)c(C)c1C ZINC000148747363 342792613 /nfs/dbraw/zinc/79/26/13/342792613.db2.gz RYJPWZCZXZURRW-UHFFFAOYSA-N 0 0 244.334 3.525 10 0 BHAERN CSc1cc(-c2ccccc2)ccc1N ZINC000148788725 342792649 /nfs/dbraw/zinc/79/26/49/342792649.db2.gz VMVOKGZKBOPJDJ-UHFFFAOYSA-N 0 0 215.321 3.658 10 0 BHAERN CC[C@@H](O)c1ccccc1-c1ccccc1 ZINC000148905469 346484790 /nfs/dbraw/zinc/48/47/90/346484790.db2.gz AALSNMNFHSFGGO-OAHLLOKOSA-N 0 0 212.292 3.797 10 0 BHAERN CC(C)C(=O)c1ccc(OCCCCl)cc1 ZINC000148905590 346066014 /nfs/dbraw/zinc/06/60/14/346066014.db2.gz CRBARRHUYOLISB-UHFFFAOYSA-N 0 0 240.730 3.533 10 0 BHAERN CC[C@H](O)c1ccccc1-c1ccccc1 ZINC000148905672 343410581 /nfs/dbraw/zinc/41/05/81/343410581.db2.gz AALSNMNFHSFGGO-HNNXBMFYSA-N 0 0 212.292 3.797 10 0 BHAERN COc1ccc(Cl)cc1[C@@]12CCCC[C@@H]1O2 ZINC000148933902 342792623 /nfs/dbraw/zinc/79/26/23/342792623.db2.gz RPYHRKVTHKIZOM-STQMWFEESA-N 0 0 238.714 3.517 10 0 BHAERN COc1ccc(Cl)cc1[C@]12CCCC[C@H]1O2 ZINC000148934549 343412524 /nfs/dbraw/zinc/41/25/24/343412524.db2.gz RPYHRKVTHKIZOM-CHWSQXEVSA-N 0 0 238.714 3.517 10 0 BHAERN CCOC(=O)[C@@H](CC1CCCC1)c1ccccc1 ZINC000148941851 342792642 /nfs/dbraw/zinc/79/26/42/342792642.db2.gz CKZUYPBWSKMVAA-HNNXBMFYSA-N 0 0 246.350 3.914 10 0 BHAERN CCOC(=O)[C@H](CC1CCCC1)c1ccccc1 ZINC000148942065 343412274 /nfs/dbraw/zinc/41/22/74/343412274.db2.gz CKZUYPBWSKMVAA-OAHLLOKOSA-N 0 0 246.350 3.914 10 0 BHAERN CCCOc1c(C)c(C)c(C=O)c(C)c1C ZINC000148960323 343416891 /nfs/dbraw/zinc/41/68/91/343416891.db2.gz QPICREASCCPPIY-UHFFFAOYSA-N 0 0 220.312 3.522 10 0 BHAERN CCCOc1cc(C)c(C=O)c2ccccc12 ZINC000148989508 342792808 /nfs/dbraw/zinc/79/28/08/342792808.db2.gz YRRCAPVIQAUMQB-UHFFFAOYSA-N 0 0 228.291 3.750 10 0 BHAERN O=Cc1ccc(-c2ccc(OC3CC3)cc2)cc1 ZINC000149010241 637899347 /nfs/dbraw/zinc/89/93/47/637899347.db2.gz MIKYOKURHXMDOV-UHFFFAOYSA-N 0 0 238.286 3.707 10 0 BHAERN COc1cccc2c3cc(N)ccc3sc21 ZINC000149035304 342792884 /nfs/dbraw/zinc/79/28/84/342792884.db2.gz JTEOUEGCDACMSW-UHFFFAOYSA-N 0 0 229.304 3.645 10 0 BHAERN COc1cc(N)cc2c3ccccc3sc21 ZINC000149036152 357264841 /nfs/dbraw/zinc/26/48/41/357264841.db2.gz PEVCHWYZFNRSAO-UHFFFAOYSA-N 0 0 229.304 3.645 10 0 BHAERN Cc1cccc2c3cc(N)ccc3sc21 ZINC000149037026 360615682 /nfs/dbraw/zinc/61/56/82/360615682.db2.gz WVCQEILOYFPLTA-UHFFFAOYSA-N 0 0 213.305 3.945 10 0 BHAERN COc1cc2sc3ccccc3c2cc1N ZINC000149041456 342792875 /nfs/dbraw/zinc/79/28/75/342792875.db2.gz ZVTUBQSLYPYRHS-UHFFFAOYSA-N 0 0 229.304 3.645 10 0 BHAERN Cc1cc(Br)ncc1-c1ccccc1 ZINC000149053316 343419231 /nfs/dbraw/zinc/41/92/31/343419231.db2.gz VRBPAIUWZNVADF-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN CCc1cc(-c2ccccc2)ccc1C=O ZINC000149177387 638207276 /nfs/dbraw/zinc/20/72/76/638207276.db2.gz ZFLYVQVNVXYFPV-UHFFFAOYSA-N 0 0 210.276 3.729 10 0 BHAERN CC(C)C[C@@H](O)c1ccc(C=O)c2ccccc21 ZINC000149189070 342793434 /nfs/dbraw/zinc/79/34/34/342793434.db2.gz OUVAZLCKQZEERO-MRXNPFEDSA-N 0 0 242.318 3.732 10 0 BHAERN CC(C)C[C@H](O)c1ccc(C=O)c2ccccc21 ZINC000149189275 343423690 /nfs/dbraw/zinc/42/36/90/343423690.db2.gz OUVAZLCKQZEERO-INIZCTEOSA-N 0 0 242.318 3.732 10 0 BHAERN Nc1cc(Cl)c(Cl)cc1C(F)(F)F ZINC000149193266 346585807 /nfs/dbraw/zinc/58/58/07/346585807.db2.gz NFUXBJAGSCYLMI-UHFFFAOYSA-N 0 0 230.016 3.594 10 0 BHAERN FC(F)(F)c1cscc1Br ZINC000149197659 349404933 /nfs/dbraw/zinc/40/49/33/349404933.db2.gz ONYOSFXRFQKHGM-UHFFFAOYSA-N 0 0 231.036 3.529 10 0 BHAERN CC(C)Oc1ccccc1C(=O)C1CCCC1 ZINC000149233362 346096567 /nfs/dbraw/zinc/09/65/67/346096567.db2.gz VYKZPKNSVMSJRO-UHFFFAOYSA-N 0 0 232.323 3.847 10 0 BHAERN CC(C)[C@@H]1CCc2ccccc2N1C(C)C ZINC000149280137 397800865 /nfs/dbraw/zinc/80/08/65/397800865.db2.gz XGJXFFZROUMVTC-AWEZNQCLSA-N 0 0 217.356 3.872 10 0 BHAERN CC(C)c1ccc2c(c1)C(C)(C)CCN2 ZINC000149327129 541415825 /nfs/dbraw/zinc/41/58/25/541415825.db2.gz KSKQIPSHLAGGJN-UHFFFAOYSA-N 0 0 203.329 3.903 10 0 BHAERN Clc1csc(SCc2ccco2)n1 ZINC000149359414 346743956 /nfs/dbraw/zinc/74/39/56/346743956.db2.gz CGMSCXPVAXUQAP-UHFFFAOYSA-N 0 0 231.729 3.682 10 0 BHAERN O=NN(c1ccccc1)C1CCCCC1 ZINC000149359944 342793016 /nfs/dbraw/zinc/79/30/16/342793016.db2.gz GJYCLZXZRHVEIZ-UHFFFAOYSA-N 0 0 204.273 3.507 10 0 BHAERN CCOc1cc(Cl)c(C)c(Cl)c1 ZINC000149400459 347038681 /nfs/dbraw/zinc/03/86/81/347038681.db2.gz JETAOPVNEBISMY-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN CC(C)c1cc(Cl)c(O)cc1Cl ZINC000149408069 347039084 /nfs/dbraw/zinc/03/90/84/347039084.db2.gz BOHQQUIIHPXPTO-UHFFFAOYSA-N 0 0 205.084 3.822 10 0 BHAERN FC(F)(F)CCCCc1ccccc1 ZINC000149411458 343425877 /nfs/dbraw/zinc/42/58/77/343425877.db2.gz DCODWZCUIJELOI-UHFFFAOYSA-N 0 0 202.219 3.962 10 0 BHAERN Cc1ccc2c(C=O)c3ccccc3c(C=O)c2c1 ZINC000149417116 342793381 /nfs/dbraw/zinc/79/33/81/342793381.db2.gz ILPDPMBPORRFKM-UHFFFAOYSA-N 0 0 248.281 3.926 10 0 BHAERN Cc1ccc(OC(F)F)c2ccccc12 ZINC000149514394 347294084 /nfs/dbraw/zinc/29/40/84/347294084.db2.gz QZHXSTZHTRKSRE-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN Fc1ccc(Nc2nc(Cl)ccc2F)cc1 ZINC000149517412 342794356 /nfs/dbraw/zinc/79/43/56/342794356.db2.gz XSALDSNTLJLXOE-UHFFFAOYSA-N 0 0 240.640 3.757 10 0 BHAERN Cc1nc(Cl)c2cc(C(F)(F)F)ccc2n1 ZINC000149539649 344465000 /nfs/dbraw/zinc/46/50/00/344465000.db2.gz BCMNEUWJAPJFIW-UHFFFAOYSA-N 0 0 246.619 3.610 10 0 BHAERN Clc1ccc(N[C@H]2CCc3ccccc32)cn1 ZINC000149568469 638647895 /nfs/dbraw/zinc/64/78/95/638647895.db2.gz HXHLCJQZJDEBQO-ZDUSSCGKSA-N 0 0 244.725 3.834 10 0 BHAERN Clc1ccc(N[C@@H]2CCc3ccccc32)cn1 ZINC000149568664 632735486 /nfs/dbraw/zinc/73/54/86/632735486.db2.gz HXHLCJQZJDEBQO-CYBMUJFWSA-N 0 0 244.725 3.834 10 0 BHAERN CCCCc1cc(C=O)c2ccccc2c1 ZINC000149570968 342793598 /nfs/dbraw/zinc/79/35/98/342793598.db2.gz VPCRGVYZJMQUQC-UHFFFAOYSA-N 0 0 212.292 3.995 10 0 BHAERN Cc1cc(Cl)cc(F)c1C(F)(F)F ZINC000149606484 347364761 /nfs/dbraw/zinc/36/47/61/347364761.db2.gz LZEUXOJONUUKMM-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Cc1cc(C(F)(F)F)cc(F)c1Cl ZINC000149624610 347381900 /nfs/dbraw/zinc/38/19/00/347381900.db2.gz WIMHTATVZRBHFG-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Cc1cc(F)cc(Cl)c1C(F)(F)F ZINC000149631026 347387576 /nfs/dbraw/zinc/38/75/76/347387576.db2.gz SYFKHEBKGFFWNL-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Cc1cc(Br)c(C)c2c1CC=C2 ZINC000149650825 342793617 /nfs/dbraw/zinc/79/36/17/342793617.db2.gz CXXGOHGMBYRDIT-UHFFFAOYSA-N 0 0 223.113 3.635 10 0 BHAERN Fc1cccc(-c2ccnc(Cl)c2)c1F ZINC000149660185 342793889 /nfs/dbraw/zinc/79/38/89/342793889.db2.gz TXQMQCUMNXFBDT-UHFFFAOYSA-N 0 0 225.625 3.680 10 0 BHAERN CCN1c2ccccc2CNc2ccccc21 ZINC000149697835 342793884 /nfs/dbraw/zinc/79/38/84/342793884.db2.gz RJFLOLSNJABAKT-UHFFFAOYSA-N 0 0 224.307 3.770 10 0 BHAERN Clc1nc2ccccc2c2c1CCCCN2 ZINC000149704266 346148426 /nfs/dbraw/zinc/14/84/26/346148426.db2.gz UITCWILKBRMIMZ-UHFFFAOYSA-N 0 0 232.714 3.636 10 0 BHAERN COc1ccc2ccn(-c3ccccc3)c2c1 ZINC000149719514 342793854 /nfs/dbraw/zinc/79/38/54/342793854.db2.gz CGHVRUBCVJLORJ-UHFFFAOYSA-N 0 0 223.275 3.639 10 0 BHAERN CCc1cc(OC)c(CC)cc1Br ZINC000149765719 347514263 /nfs/dbraw/zinc/51/42/63/347514263.db2.gz OPEBRDODWDIWAS-UHFFFAOYSA-N 0 0 243.144 3.583 10 0 BHAERN CCOc1cc(C=O)ccc1-c1ccc(F)cc1 ZINC000149772913 342793961 /nfs/dbraw/zinc/79/39/61/342793961.db2.gz VBHZKUHPFRJFOZ-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN C[C@@H](Nc1cccc(Cl)n1)c1cccc(O)c1 ZINC000149794973 639148720 /nfs/dbraw/zinc/14/87/20/639148720.db2.gz UTNXPYPOJUAUOT-SECBINFHSA-N 0 0 248.713 3.614 10 0 BHAERN Cc1ccc(NCc2ccnc3ccccc23)cn1 ZINC000149818217 385056973 /nfs/dbraw/zinc/05/69/73/385056973.db2.gz AOLJITINVBAGCG-UHFFFAOYSA-N 0 0 249.317 3.550 10 0 BHAERN COc1cccc2c1C=C[C@@H]2c1ccccc1 ZINC000149831446 342794800 /nfs/dbraw/zinc/79/48/00/342794800.db2.gz SZIVCIGWYBSUBG-CYBMUJFWSA-N 0 0 222.287 3.854 10 0 BHAERN COc1cccc2c1C=C[C@H]2c1ccccc1 ZINC000149831656 342794943 /nfs/dbraw/zinc/79/49/43/342794943.db2.gz SZIVCIGWYBSUBG-ZDUSSCGKSA-N 0 0 222.287 3.854 10 0 BHAERN CCC/C=C(\I)CCC ZINC000149836220 342794935 /nfs/dbraw/zinc/79/49/35/342794935.db2.gz NEWLPVVMXHIAJU-FPLPWBNLSA-N 0 0 238.112 3.906 10 0 BHAERN CC(C)(C)c1ccc(NCc2ccccc2)nc1 ZINC000149841133 346506371 /nfs/dbraw/zinc/50/63/71/346506371.db2.gz KQDIZPWDQSHLMS-UHFFFAOYSA-N 0 0 240.350 3.991 10 0 BHAERN Clc1cccc(N[C@H]2CCc3ccccc32)n1 ZINC000149877847 636080338 /nfs/dbraw/zinc/08/03/38/636080338.db2.gz WHQSAEHZYIFJHK-LBPRGKRZSA-N 0 0 244.725 3.834 10 0 BHAERN Clc1cccc(N[C@@H]2CCc3ccccc32)n1 ZINC000149878012 636080149 /nfs/dbraw/zinc/08/01/49/636080149.db2.gz WHQSAEHZYIFJHK-GFCCVEGCSA-N 0 0 244.725 3.834 10 0 BHAERN Cc1cccc2cc(C(C)C)c(O)cc12 ZINC000149902674 342794675 /nfs/dbraw/zinc/79/46/75/342794675.db2.gz NJVACHVYVKQEAC-UHFFFAOYSA-N 0 0 200.281 3.977 10 0 BHAERN Cc1cc(C)c(/C=C/Br)cc1C ZINC000149967509 538104517 /nfs/dbraw/zinc/10/45/17/538104517.db2.gz QNJCSJIDHMDFDI-SNAWJCMRSA-N 0 0 225.129 3.977 10 0 BHAERN CCSc1ccc(Br)c(OC)c1 ZINC000150015110 346166025 /nfs/dbraw/zinc/16/60/25/346166025.db2.gz DKPIZXWBZSREAM-UHFFFAOYSA-N 0 0 247.157 3.570 10 0 BHAERN Fc1cc(SC2CC2)ccc1Br ZINC000150037290 342795703 /nfs/dbraw/zinc/79/57/03/342795703.db2.gz DMHVMHWZXJSLQX-UHFFFAOYSA-N 0 0 247.132 3.843 10 0 BHAERN OCc1ccc(C(F)(F)F)c(C2CCCC2)c1 ZINC000150108781 342797214 /nfs/dbraw/zinc/79/72/14/342797214.db2.gz POJGYAZRECFYRR-UHFFFAOYSA-N 0 0 244.256 3.855 10 0 BHAERN CC(C)(Br)C1CCCCC1 ZINC000150109912 639316851 /nfs/dbraw/zinc/31/68/51/639316851.db2.gz ARADZRDYMDKVFE-UHFFFAOYSA-N 0 0 205.139 3.740 10 0 BHAERN Cc1cccc2cc(OC(C)C)ccc12 ZINC000150112432 342797172 /nfs/dbraw/zinc/79/71/72/342797172.db2.gz ZWMYFHYPTJKNBY-UHFFFAOYSA-N 0 0 200.281 3.935 10 0 BHAERN CCOC(=O)c1cc2c(cccc2C(C)(C)C)[nH]1 ZINC000150136056 344433574 /nfs/dbraw/zinc/43/35/74/344433574.db2.gz CNESCWYLVQIFDE-UHFFFAOYSA-N 0 0 245.322 3.642 10 0 BHAERN c1cc2cc(-c3cncc(C4CC4)n3)ccc2[nH]1 ZINC000150137569 368350954 /nfs/dbraw/zinc/35/09/54/368350954.db2.gz VOPXFCOFHMCYFV-UHFFFAOYSA-N 0 0 235.290 3.502 10 0 BHAERN CC(C)Cn1c2ccc(N)cc2c2c1CCCC2 ZINC000150141591 342797408 /nfs/dbraw/zinc/79/74/08/342797408.db2.gz DNZBHSYKGFZXHM-UHFFFAOYSA-N 0 0 242.366 3.758 10 0 BHAERN CC(C)c1ncc(-c2ccccc2)s1 ZINC000150200791 342798967 /nfs/dbraw/zinc/79/89/67/342798967.db2.gz ZBBRBLPLNNKBEW-UHFFFAOYSA-N 0 0 203.310 3.934 10 0 BHAERN C[C@@H]1CCC(=O)c2sc3ccccc3c21 ZINC000150205610 349969460 /nfs/dbraw/zinc/96/94/60/349969460.db2.gz OOBQIQDLYXCFNZ-MRVPVSSYSA-N 0 0 216.305 3.981 10 0 BHAERN C[C@H]1CCC(=O)c2sc3ccccc3c21 ZINC000150205863 349969533 /nfs/dbraw/zinc/96/95/33/349969533.db2.gz OOBQIQDLYXCFNZ-QMMMGPOBSA-N 0 0 216.305 3.981 10 0 BHAERN CCCn1c2ccc(N)cc2c2c1CCCC2 ZINC000150227110 342799015 /nfs/dbraw/zinc/79/90/15/342799015.db2.gz SAOOQCKVZZMAJX-UHFFFAOYSA-N 0 0 228.339 3.512 10 0 BHAERN CCCCCCCCC[C@@H](C)[C@@H]([NH3+])CC(=O)[O-] ZINC000150284044 346169999 /nfs/dbraw/zinc/16/99/99/346169999.db2.gz ZIGCFFSFWBNPKL-OLZOCXBDSA-N 0 0 243.391 3.565 10 0 BHAERN CCCCCCCCC[C@H](C)[C@@H]([NH3+])CC(=O)[O-] ZINC000150284261 346170137 /nfs/dbraw/zinc/17/01/37/346170137.db2.gz ZIGCFFSFWBNPKL-STQMWFEESA-N 0 0 243.391 3.565 10 0 BHAERN CCCCCCCCC[C@@H](C)[C@H]([NH3+])CC(=O)[O-] ZINC000150284463 346169968 /nfs/dbraw/zinc/16/99/68/346169968.db2.gz ZIGCFFSFWBNPKL-CHWSQXEVSA-N 0 0 243.391 3.565 10 0 BHAERN CCCCCCCCC[C@H](C)[C@H]([NH3+])CC(=O)[O-] ZINC000150284686 346170127 /nfs/dbraw/zinc/17/01/27/346170127.db2.gz ZIGCFFSFWBNPKL-QWHCGFSZSA-N 0 0 243.391 3.565 10 0 BHAERN CCCNc1cc(C)c(Br)c(C)c1 ZINC000150311260 350174209 /nfs/dbraw/zinc/17/42/09/350174209.db2.gz NPFNANAWZBGYAD-UHFFFAOYSA-N 0 0 242.160 3.888 10 0 BHAERN CCC1(C(=O)Nc2ccccc2OC)CCCC1 ZINC000151734120 385127312 /nfs/dbraw/zinc/12/73/12/385127312.db2.gz MEFVUKVGKRHBQE-UHFFFAOYSA-N 0 0 247.338 3.604 10 0 BHAERN C[C@@H](Nc1ncccc1Cl)c1cccc(O)c1 ZINC000152065600 387881425 /nfs/dbraw/zinc/88/14/25/387881425.db2.gz HAXDSBVDGABOEY-SECBINFHSA-N 0 0 248.713 3.614 10 0 BHAERN COC[C@H](C)CNc1ccccc1C(C)C ZINC000153339951 325945262 /nfs/dbraw/zinc/94/52/62/325945262.db2.gz LQJWJTLJPSCCQK-GFCCVEGCSA-N 0 0 221.344 3.504 10 0 BHAERN COC[C@@H](C)CNc1ccccc1C(C)C ZINC000153340043 388962697 /nfs/dbraw/zinc/96/26/97/388962697.db2.gz LQJWJTLJPSCCQK-LBPRGKRZSA-N 0 0 221.344 3.504 10 0 BHAERN Cc1ccc(CNc2cccc3cnccc32)cn1 ZINC000155480455 201335253 /nfs/dbraw/zinc/33/52/53/201335253.db2.gz YHSPGAXTJCSUFS-UHFFFAOYSA-N 0 0 249.317 3.550 10 0 BHAERN Oc1cccc(-c2ccc(Cl)s2)c1 ZINC000156632846 385461830 /nfs/dbraw/zinc/46/18/30/385461830.db2.gz ZKZKNDHJGYUFCR-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Oc1ccccc1-c1ccc(Cl)s1 ZINC000156648678 385463010 /nfs/dbraw/zinc/46/30/10/385463010.db2.gz YQNRSACFYVDZPA-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Oc1ccccc1-c1cccc(Br)c1 ZINC000156649554 385462712 /nfs/dbraw/zinc/46/27/12/385462712.db2.gz DJLLTDMNGCMHLV-UHFFFAOYSA-N 0 0 249.107 3.822 10 0 BHAERN Cc1cc(O)ccc1-c1ccc(F)cc1 ZINC000156666677 343198640 /nfs/dbraw/zinc/19/86/40/343198640.db2.gz ADHOASMWIVIFBO-UHFFFAOYSA-N 0 0 202.228 3.507 10 0 BHAERN Cc1ccc(-c2cscc2C=O)s1 ZINC000156705085 384935745 /nfs/dbraw/zinc/93/57/45/384935745.db2.gz WGEDZSQTNHAERS-UHFFFAOYSA-N 0 0 208.307 3.598 10 0 BHAERN Oc1ccc(Cl)cc1-c1ccsc1 ZINC000156763896 384663430 /nfs/dbraw/zinc/66/34/30/384663430.db2.gz MJRNQBCFFNTZDO-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Cc1cc(-c2cc(O)cc(F)c2)cs1 ZINC000156767219 385469238 /nfs/dbraw/zinc/46/92/38/385469238.db2.gz DGEYYIUGGSIMEJ-UHFFFAOYSA-N 0 0 208.257 3.568 10 0 BHAERN Cc1cc(-c2ccc(F)cc2O)cs1 ZINC000156767363 384664926 /nfs/dbraw/zinc/66/49/26/384664926.db2.gz MXHOJOSMNHCFQN-UHFFFAOYSA-N 0 0 208.257 3.568 10 0 BHAERN Cc1cc(-c2cc(C)ccc2O)cs1 ZINC000156767670 384665749 /nfs/dbraw/zinc/66/57/49/384665749.db2.gz XDDXOGAXBFPRKX-UHFFFAOYSA-N 0 0 204.294 3.738 10 0 BHAERN Cc1cc(-c2ccc(O)cc2F)cs1 ZINC000156768127 385469144 /nfs/dbraw/zinc/46/91/44/385469144.db2.gz WWCXDVSMEQRXBU-UHFFFAOYSA-N 0 0 208.257 3.568 10 0 BHAERN Cc1cc(-c2ccc(O)c(F)c2)cs1 ZINC000156769033 385468653 /nfs/dbraw/zinc/46/86/53/385468653.db2.gz BPZZHKFYWMHNJY-UHFFFAOYSA-N 0 0 208.257 3.568 10 0 BHAERN Cc1ccc(-c2cc(C)ccc2O)s1 ZINC000156772355 385469095 /nfs/dbraw/zinc/46/90/95/385469095.db2.gz ZYAOQSUQHOIBHP-UHFFFAOYSA-N 0 0 204.294 3.738 10 0 BHAERN Cc1ccc(-c2ccc(O)cc2C)s1 ZINC000156773089 385469101 /nfs/dbraw/zinc/46/91/01/385469101.db2.gz QMPGQXLMSYMBHP-UHFFFAOYSA-N 0 0 204.294 3.738 10 0 BHAERN Cc1ccc(-c2cc(F)ccc2O)s1 ZINC000156773227 385468611 /nfs/dbraw/zinc/46/86/11/385468611.db2.gz LAEQTMBBQBKCFV-UHFFFAOYSA-N 0 0 208.257 3.568 10 0 BHAERN Cc1ccc(-c2ccc(O)c(F)c2)s1 ZINC000156773681 385469459 /nfs/dbraw/zinc/46/94/59/385469459.db2.gz XPHCSEKHVMXHPF-UHFFFAOYSA-N 0 0 208.257 3.568 10 0 BHAERN Cc1ccsc1-c1ccc(F)cc1O ZINC000156807885 385468985 /nfs/dbraw/zinc/46/89/85/385468985.db2.gz JPDUBYMGBWTYGB-UHFFFAOYSA-N 0 0 208.257 3.568 10 0 BHAERN Cc1ccsc1-c1cc(C)ccc1O ZINC000156808212 385469231 /nfs/dbraw/zinc/46/92/31/385469231.db2.gz FAESTKJDBJRBRA-UHFFFAOYSA-N 0 0 204.294 3.738 10 0 BHAERN Cc1ccsc1-c1ccc(O)c(C)c1 ZINC000156808485 385469516 /nfs/dbraw/zinc/46/95/16/385469516.db2.gz IVRHLZWBZKSCJW-UHFFFAOYSA-N 0 0 204.294 3.738 10 0 BHAERN Cc1ccsc1-c1ccc(O)cc1F ZINC000156808629 385058153 /nfs/dbraw/zinc/05/81/53/385058153.db2.gz ULQATMQLKJZHRL-UHFFFAOYSA-N 0 0 208.257 3.568 10 0 BHAERN C[C@@H]1CC[C@H](C)c2sc(Br)nc21 ZINC000156822273 385160016 /nfs/dbraw/zinc/16/00/16/385160016.db2.gz LXPBLPJSODUHRO-RITPCOANSA-N 0 0 246.173 3.906 10 0 BHAERN C[C@H]1CC[C@H](C)c2sc(Br)nc21 ZINC000156822416 385160831 /nfs/dbraw/zinc/16/08/31/385160831.db2.gz LXPBLPJSODUHRO-WDSKDSINSA-N 0 0 246.173 3.906 10 0 BHAERN C[C@@H]1CC[C@@H](C)c2sc(Br)nc21 ZINC000156822554 384983148 /nfs/dbraw/zinc/98/31/48/384983148.db2.gz LXPBLPJSODUHRO-PHDIDXHHSA-N 0 0 246.173 3.906 10 0 BHAERN C[C@@H]1CC[C@H](C)c2nc(Br)sc21 ZINC000156822676 385469318 /nfs/dbraw/zinc/46/93/18/385469318.db2.gz LXPBLPJSODUHRO-NTSWFWBYSA-N 0 0 246.173 3.906 10 0 BHAERN Brc1nc2c(s1)CCCCCC2 ZINC000156823516 385471241 /nfs/dbraw/zinc/47/12/41/385471241.db2.gz VCRGSKZPSRVTKG-UHFFFAOYSA-N 0 0 246.173 3.565 10 0 BHAERN C[C@@H]1CCc2sc(Br)nc2[C@@H]1C ZINC000156823703 385162656 /nfs/dbraw/zinc/16/26/56/385162656.db2.gz SOSPYERFFWCOFX-PHDIDXHHSA-N 0 0 246.173 3.591 10 0 BHAERN C[C@H]1c2nc(Br)sc2CC[C@@H]1C ZINC000156823834 384985928 /nfs/dbraw/zinc/98/59/28/384985928.db2.gz SOSPYERFFWCOFX-NTSWFWBYSA-N 0 0 246.173 3.591 10 0 BHAERN C[C@@H]1CCc2sc(Br)nc2[C@H]1C ZINC000156823978 385163403 /nfs/dbraw/zinc/16/34/03/385163403.db2.gz SOSPYERFFWCOFX-RITPCOANSA-N 0 0 246.173 3.591 10 0 BHAERN C[C@H]1CCc2sc(Br)nc2[C@H]1C ZINC000156824115 384986112 /nfs/dbraw/zinc/98/61/12/384986112.db2.gz SOSPYERFFWCOFX-WDSKDSINSA-N 0 0 246.173 3.591 10 0 BHAERN CC[C@@H]1CCCc2sc(Br)nc21 ZINC000156824269 384986438 /nfs/dbraw/zinc/98/64/38/384986438.db2.gz HYZGZCKZQOACBS-ZCFIWIBFSA-N 0 0 246.173 3.736 10 0 BHAERN CC[C@H]1CCCc2sc(Br)nc21 ZINC000156824414 384987266 /nfs/dbraw/zinc/98/72/66/384987266.db2.gz HYZGZCKZQOACBS-LURJTMIESA-N 0 0 246.173 3.736 10 0 BHAERN C[C@@H]1C[C@H](C)Cc2sc(Br)nc21 ZINC000156825235 384984541 /nfs/dbraw/zinc/98/45/41/384984541.db2.gz OEODHJOJORKAIU-NTSWFWBYSA-N 0 0 246.173 3.591 10 0 BHAERN C[C@H]1Cc2sc(Br)nc2[C@H](C)C1 ZINC000156825386 384987185 /nfs/dbraw/zinc/98/71/85/384987185.db2.gz OEODHJOJORKAIU-PHDIDXHHSA-N 0 0 246.173 3.591 10 0 BHAERN C[C@@H]1Cc2sc(Br)nc2[C@@H](C)C1 ZINC000156825523 385162108 /nfs/dbraw/zinc/16/21/08/385162108.db2.gz OEODHJOJORKAIU-WDSKDSINSA-N 0 0 246.173 3.591 10 0 BHAERN C[C@H]1Cc2sc(Br)nc2[C@@H](C)C1 ZINC000156825657 385163629 /nfs/dbraw/zinc/16/36/29/385163629.db2.gz OEODHJOJORKAIU-RITPCOANSA-N 0 0 246.173 3.591 10 0 BHAERN CC1(C)CCCc2sc(Br)nc21 ZINC000156826244 385159863 /nfs/dbraw/zinc/15/98/63/385159863.db2.gz QHHAWQUWQUILRR-UHFFFAOYSA-N 0 0 246.173 3.520 10 0 BHAERN C[C@@H]1C[C@H](C)Cc2nc(Br)sc21 ZINC000156826396 385470293 /nfs/dbraw/zinc/47/02/93/385470293.db2.gz XQHBQDRDVUUMFT-NTSWFWBYSA-N 0 0 246.173 3.591 10 0 BHAERN C[C@H]1Cc2nc(Br)sc2[C@H](C)C1 ZINC000156826540 385160541 /nfs/dbraw/zinc/16/05/41/385160541.db2.gz XQHBQDRDVUUMFT-PHDIDXHHSA-N 0 0 246.173 3.591 10 0 BHAERN C[C@@H]1Cc2nc(Br)sc2[C@@H](C)C1 ZINC000156826680 385160767 /nfs/dbraw/zinc/16/07/67/385160767.db2.gz XQHBQDRDVUUMFT-WDSKDSINSA-N 0 0 246.173 3.591 10 0 BHAERN C[C@H]1Cc2nc(Br)sc2[C@@H](C)C1 ZINC000156826813 385159874 /nfs/dbraw/zinc/15/98/74/385159874.db2.gz XQHBQDRDVUUMFT-RITPCOANSA-N 0 0 246.173 3.591 10 0 BHAERN Cc1ccc(F)c2ncc(Cl)c(Cl)c12 ZINC000157001190 384309172 /nfs/dbraw/zinc/30/91/72/384309172.db2.gz RYXXXUDXJDMBDB-UHFFFAOYSA-N 0 0 230.069 3.989 10 0 BHAERN Fc1cc2ncc(Cl)c(Cl)c2cc1F ZINC000157003762 385045010 /nfs/dbraw/zinc/04/50/10/385045010.db2.gz YNDREDFRFCJEDC-UHFFFAOYSA-N 0 0 234.032 3.820 10 0 BHAERN COCc1cccc2c(Cl)c(Cl)cnc12 ZINC000157005791 385044100 /nfs/dbraw/zinc/04/41/00/385044100.db2.gz AOGRNWLSFPSFOU-UHFFFAOYSA-N 0 0 242.105 3.688 10 0 BHAERN COc1cc(F)cc2c(Cl)c(Cl)cnc12 ZINC000157006264 385044872 /nfs/dbraw/zinc/04/48/72/385044872.db2.gz DOUDHVAGGDPTQQ-UHFFFAOYSA-N 0 0 246.068 3.689 10 0 BHAERN Clc1cnc2ccsc2c1Cl ZINC000157007811 385044114 /nfs/dbraw/zinc/04/41/14/385044114.db2.gz GGBLEWAJMHAIRW-UHFFFAOYSA-N 0 0 204.081 3.603 10 0 BHAERN Cc1cc(OCC2CC2)ccc1Br ZINC000157122100 343199748 /nfs/dbraw/zinc/19/97/48/343199748.db2.gz HFGPWFFPXONMJP-UHFFFAOYSA-N 0 0 241.128 3.546 10 0 BHAERN Clc1cnc2ccsc2c1Br ZINC000157488335 342713914 /nfs/dbraw/zinc/71/39/14/342713914.db2.gz PRXMRQMPIFUFOR-UHFFFAOYSA-N 0 0 248.532 3.712 10 0 BHAERN Cc1ccncc1N[C@@H](C)Cc1ccccc1F ZINC000157553431 387837512 /nfs/dbraw/zinc/83/75/12/387837512.db2.gz AKHVTFCYMBWDGW-LBPRGKRZSA-N 0 0 244.313 3.572 10 0 BHAERN Cc1ccncc1N[C@H](C)Cc1ccccc1F ZINC000157553566 387837605 /nfs/dbraw/zinc/83/76/05/387837605.db2.gz AKHVTFCYMBWDGW-GFCCVEGCSA-N 0 0 244.313 3.572 10 0 BHAERN CC1(C(=O)CC2CCSCC2)CCCC1 ZINC000157614695 397942035 /nfs/dbraw/zinc/94/20/35/397942035.db2.gz XOIFSYUSQZQMJU-UHFFFAOYSA-N 0 0 226.385 3.669 10 0 BHAERN Cc1cscc1C(=O)CC1CCSCC1 ZINC000157615799 342807247 /nfs/dbraw/zinc/80/72/47/342807247.db2.gz KVVIEXDUJJJCFU-UHFFFAOYSA-N 0 0 240.393 3.773 10 0 BHAERN Cc1ccc(C(=O)CC2CCSCC2)s1 ZINC000157632710 342808572 /nfs/dbraw/zinc/80/85/72/342808572.db2.gz RCJCEYHSGQTABF-UHFFFAOYSA-N 0 0 240.393 3.773 10 0 BHAERN Cc1ccsc1C(=O)CC1CCSCC1 ZINC000157637100 346384218 /nfs/dbraw/zinc/38/42/18/346384218.db2.gz NHKXKOFSVRLUFL-UHFFFAOYSA-N 0 0 240.393 3.773 10 0 BHAERN Cc1cccc(NC[C@H](C)c2cccs2)[nH+]1 ZINC000157640931 386885279 /nfs/dbraw/zinc/88/52/79/386885279.db2.gz DYDBGDKRQRYCAI-JTQLQIEISA-N 0 0 232.352 3.667 10 0 BHAERN O=C(CC1CCSCC1)C1CCCCC1 ZINC000157646135 342809763 /nfs/dbraw/zinc/80/97/63/342809763.db2.gz MSQKYVVNOCGMIU-UHFFFAOYSA-N 0 0 226.385 3.669 10 0 BHAERN Clc1nnc(-c2cc(Cl)ccc2Cl)o1 ZINC000157737346 342846428 /nfs/dbraw/zinc/84/64/28/342846428.db2.gz BMEIAGIVSVLULU-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN CC(C)c1ccc(-c2nnc(Cl)o2)cc1 ZINC000157738124 342846114 /nfs/dbraw/zinc/84/61/14/342846114.db2.gz NIWPDBADKUTCDM-UHFFFAOYSA-N 0 0 222.675 3.513 10 0 BHAERN Clc1nnc(-c2cc3ccccc3s2)o1 ZINC000157754554 342916111 /nfs/dbraw/zinc/91/61/11/342916111.db2.gz OWYWLFBTBLOYKS-UHFFFAOYSA-N 0 0 236.683 3.605 10 0 BHAERN CC(C)c1ccccc1NCC1=CCCOC1 ZINC000157764516 385275365 /nfs/dbraw/zinc/27/53/65/385275365.db2.gz MFFKUNTXJVMLAG-UHFFFAOYSA-N 0 0 231.339 3.569 10 0 BHAERN Cc1cccc(N(C)[C@@H](C)Cc2ccsc2)n1 ZINC000157843335 385292729 /nfs/dbraw/zinc/29/27/29/385292729.db2.gz LYGOEGVBPJLEGP-LBPRGKRZSA-N 0 0 246.379 3.519 10 0 BHAERN Cc1cccc(N(C)[C@H](C)Cc2ccsc2)n1 ZINC000157843485 385292401 /nfs/dbraw/zinc/29/24/01/385292401.db2.gz LYGOEGVBPJLEGP-GFCCVEGCSA-N 0 0 246.379 3.519 10 0 BHAERN CCCCC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157848900 326297896 /nfs/dbraw/zinc/29/78/96/326297896.db2.gz VGLHWQWUFFDJMI-CQSZACIVSA-N 0 0 249.329 3.510 10 0 BHAERN CCCCC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157849046 326297827 /nfs/dbraw/zinc/29/78/27/326297827.db2.gz VGLHWQWUFFDJMI-AWEZNQCLSA-N 0 0 249.329 3.510 10 0 BHAERN Nc1cc2ccccc2cc1C(=O)c1ccccc1 ZINC000157934677 343200045 /nfs/dbraw/zinc/20/00/45/343200045.db2.gz COFDQXQGJDSXIR-UHFFFAOYSA-N 0 0 247.297 3.653 10 0 BHAERN Cc1ccc([C@@H](C)N[C@H](C)c2cncc(F)c2)o1 ZINC000158167082 385552122 /nfs/dbraw/zinc/55/21/22/385552122.db2.gz FARJJTWVUTVVTF-GHMZBOCLSA-N 0 0 248.301 3.534 10 0 BHAERN Cc1ccc([C@H](C)N[C@H](C)c2cncc(F)c2)o1 ZINC000158167214 385551214 /nfs/dbraw/zinc/55/12/14/385551214.db2.gz FARJJTWVUTVVTF-MNOVXSKESA-N 0 0 248.301 3.534 10 0 BHAERN Clc1noc(-c2cc3sccc3s2)n1 ZINC000158584642 344685359 /nfs/dbraw/zinc/68/53/59/344685359.db2.gz YPOOBGZLLWUSMR-UHFFFAOYSA-N 0 0 242.712 3.666 10 0 BHAERN Clc1noc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000158585678 384247008 /nfs/dbraw/zinc/24/70/08/384247008.db2.gz CKGXPHLXWKGJKA-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN Clc1noc(-c2cc(Cl)ccc2Cl)n1 ZINC000158591604 344689760 /nfs/dbraw/zinc/68/97/60/344689760.db2.gz YAGXZZZLUOZRMF-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN Clc1noc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000158591900 344689745 /nfs/dbraw/zinc/68/97/45/344689745.db2.gz JVKLTEBMWQJYEH-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN Clc1noc(-c2c(Cl)cccc2Cl)n1 ZINC000158596784 344689542 /nfs/dbraw/zinc/68/95/42/344689542.db2.gz GUABTAFICGZVAA-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN Clc1noc(C2CCCCCCC2)n1 ZINC000158598245 344690224 /nfs/dbraw/zinc/69/02/24/344690224.db2.gz NTDNAGRVWXOERV-UHFFFAOYSA-N 0 0 214.696 3.551 10 0 BHAERN Clc1noc(-c2cccc(Cl)c2Cl)n1 ZINC000158599904 344688327 /nfs/dbraw/zinc/68/83/27/344688327.db2.gz VUGBBMRKKKCRHE-UHFFFAOYSA-N 0 0 249.484 3.697 10 0 BHAERN CC[C@@H]1CCC[C@H](C(=O)C(F)(F)Cl)C1 ZINC000158671745 344715385 /nfs/dbraw/zinc/71/53/85/344715385.db2.gz GTWICVOLCRAZDS-SFYZADRCSA-N 0 0 224.678 3.604 10 0 BHAERN CC[C@H]1CCC[C@H](C(=O)C(F)(F)Cl)C1 ZINC000158671882 344715465 /nfs/dbraw/zinc/71/54/65/344715465.db2.gz GTWICVOLCRAZDS-YUMQZZPRSA-N 0 0 224.678 3.604 10 0 BHAERN CC[C@@H]1CCC[C@@H](C(=O)C(F)(F)Cl)C1 ZINC000158672028 344715267 /nfs/dbraw/zinc/71/52/67/344715267.db2.gz GTWICVOLCRAZDS-HTQZYQBOSA-N 0 0 224.678 3.604 10 0 BHAERN CC[C@H]1CCC[C@@H](C(=O)C(F)(F)Cl)C1 ZINC000158672162 346400383 /nfs/dbraw/zinc/40/03/83/346400383.db2.gz GTWICVOLCRAZDS-JGVFFNPUSA-N 0 0 224.678 3.604 10 0 BHAERN CCC1CCC(C(=O)C(F)(F)Cl)CC1 ZINC000158681212 344720717 /nfs/dbraw/zinc/72/07/17/344720717.db2.gz OHVHJHICQSOMGR-UHFFFAOYSA-N 0 0 224.678 3.604 10 0 BHAERN CC[C@@H]1CCCC[C@@H]1C(=O)C(F)(F)Cl ZINC000158686314 344721228 /nfs/dbraw/zinc/72/12/28/344721228.db2.gz SUKPGWDVRGRDOS-SFYZADRCSA-N 0 0 224.678 3.604 10 0 BHAERN CC[C@H]1CCCC[C@@H]1C(=O)C(F)(F)Cl ZINC000158686455 344721087 /nfs/dbraw/zinc/72/10/87/344721087.db2.gz SUKPGWDVRGRDOS-YUMQZZPRSA-N 0 0 224.678 3.604 10 0 BHAERN CC[C@@H]1CCCC[C@H]1C(=O)C(F)(F)Cl ZINC000158686591 344721590 /nfs/dbraw/zinc/72/15/90/344721590.db2.gz SUKPGWDVRGRDOS-HTQZYQBOSA-N 0 0 224.678 3.604 10 0 BHAERN CC[C@H]1CCCC[C@H]1C(=O)C(F)(F)Cl ZINC000158686733 344721184 /nfs/dbraw/zinc/72/11/84/344721184.db2.gz SUKPGWDVRGRDOS-JGVFFNPUSA-N 0 0 224.678 3.604 10 0 BHAERN CC[C@H](O)c1cc(C)c(Br)c(C)c1 ZINC000158692830 344724858 /nfs/dbraw/zinc/72/48/58/344724858.db2.gz FAPIYLZDUKADDE-JTQLQIEISA-N 0 0 243.144 3.509 10 0 BHAERN CC[C@@H](O)c1cc(C)c(Br)c(C)c1 ZINC000158692970 344725037 /nfs/dbraw/zinc/72/50/37/344725037.db2.gz FAPIYLZDUKADDE-SNVBAGLBSA-N 0 0 243.144 3.509 10 0 BHAERN O[C@@]1(CCCc2ccccc2)C[C@H]2CC[C@@H]1C2 ZINC000158909772 183216312 /nfs/dbraw/zinc/21/63/12/183216312.db2.gz DNSNWSOZDCEFFF-XHSDSOJGSA-N 0 0 230.351 3.560 10 0 BHAERN O[C@]1(CCCc2ccccc2)C[C@H]2CC[C@@H]1C2 ZINC000158909920 183250339 /nfs/dbraw/zinc/25/03/39/183250339.db2.gz DNSNWSOZDCEFFF-ARFHVFGLSA-N 0 0 230.351 3.560 10 0 BHAERN Cc1cc2cc(Br)cc(C)c2[nH]1 ZINC000158920416 346404859 /nfs/dbraw/zinc/40/48/59/346404859.db2.gz AAURLWYKSZDDNL-UHFFFAOYSA-N 0 0 224.101 3.547 10 0 BHAERN Cc1[nH]c2c(cc(Br)cc2C)c1C ZINC000158921184 346200758 /nfs/dbraw/zinc/20/07/58/346200758.db2.gz LUMFHBYNXHKGAQ-UHFFFAOYSA-N 0 0 238.128 3.856 10 0 BHAERN Cc1cc(N)c(Cl)cc1NCc1ccccc1 ZINC000158997684 346946557 /nfs/dbraw/zinc/94/65/57/346946557.db2.gz RQXQWYOQUQKWMN-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN CCC(=O)CSCc1ccc(Cl)cc1 ZINC000159111964 347255934 /nfs/dbraw/zinc/25/59/34/347255934.db2.gz KHCUKTNLSXBEJU-UHFFFAOYSA-N 0 0 228.744 3.552 10 0 BHAERN CC(C)C(=O)CSCc1ccc(Cl)cc1 ZINC000159112107 347257246 /nfs/dbraw/zinc/25/72/46/347257246.db2.gz NHTZKTGDSBAIRD-UHFFFAOYSA-N 0 0 242.771 3.798 10 0 BHAERN O=C(CSCc1ccc(Cl)cc1)C1CC1 ZINC000159112273 347256987 /nfs/dbraw/zinc/25/69/87/347256987.db2.gz ONILENJNEARWDK-UHFFFAOYSA-N 0 0 240.755 3.552 10 0 BHAERN CCCC(=O)CSCc1ccc(Cl)cc1 ZINC000159112453 347257127 /nfs/dbraw/zinc/25/71/27/347257127.db2.gz NSLJPWKESIYPJW-UHFFFAOYSA-N 0 0 242.771 3.942 10 0 BHAERN CCC(=O)[C@@H](C)SCc1ccc(Cl)cc1 ZINC000159112737 347256950 /nfs/dbraw/zinc/25/69/50/347256950.db2.gz YHWMLCSKRYJGEF-SECBINFHSA-N 0 0 242.771 3.941 10 0 BHAERN CCC(=O)[C@H](C)SCc1ccc(Cl)cc1 ZINC000159112876 347257277 /nfs/dbraw/zinc/25/72/77/347257277.db2.gz YHWMLCSKRYJGEF-VIFPVBQESA-N 0 0 242.771 3.941 10 0 BHAERN O=C1CC[C@@H](SCc2ccc(Cl)cc2)C1 ZINC000159113851 347261317 /nfs/dbraw/zinc/26/13/17/347261317.db2.gz DDJKBRGXOVXKOY-GFCCVEGCSA-N 0 0 240.755 3.695 10 0 BHAERN O=C1CC[C@H](SCc2ccc(Cl)cc2)C1 ZINC000159113990 347265076 /nfs/dbraw/zinc/26/50/76/347265076.db2.gz DDJKBRGXOVXKOY-LBPRGKRZSA-N 0 0 240.755 3.695 10 0 BHAERN Cc1cc(N)c(Cl)cc1OCc1ccccc1 ZINC000159147368 348645289 /nfs/dbraw/zinc/64/52/89/348645289.db2.gz UGXASGFZLHGHCE-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN C=Cc1ccc(Br)c2cccnc12 ZINC000159287794 349948981 /nfs/dbraw/zinc/94/89/81/349948981.db2.gz NNOPKGTWADUFRM-UHFFFAOYSA-N 0 0 234.096 3.640 10 0 BHAERN C[C@@](O)(c1ccsc1)C1CCCCC1 ZINC000159313476 350008167 /nfs/dbraw/zinc/00/81/67/350008167.db2.gz PYUODXGLLIFGMN-LBPRGKRZSA-N 0 0 210.342 3.536 10 0 BHAERN C[C@](O)(c1ccsc1)C1CCCCC1 ZINC000159313610 350007721 /nfs/dbraw/zinc/00/77/21/350007721.db2.gz PYUODXGLLIFGMN-GFCCVEGCSA-N 0 0 210.342 3.536 10 0 BHAERN Cc1cc(C)c(NC(C)C)c(Br)c1 ZINC000159579660 350904764 /nfs/dbraw/zinc/90/47/64/350904764.db2.gz LHAUMDSWBQJVDG-UHFFFAOYSA-N 0 0 242.160 3.886 10 0 BHAERN CCCNc1c(C)cc(C)cc1Br ZINC000159661602 350967554 /nfs/dbraw/zinc/96/75/54/350967554.db2.gz KYSHKQXGUKEPLU-UHFFFAOYSA-N 0 0 242.160 3.888 10 0 BHAERN CC(C)CNc1ccc(F)c(Br)c1 ZINC000159767072 350991147 /nfs/dbraw/zinc/99/11/47/350991147.db2.gz GZTFDYFVCLVROO-UHFFFAOYSA-N 0 0 246.123 3.656 10 0 BHAERN COc1c(C)cc(Br)c(C)c1Cl ZINC000159777451 350999666 /nfs/dbraw/zinc/99/96/66/350999666.db2.gz UAKQHYHYGJXFCZ-UHFFFAOYSA-N 0 0 249.535 3.728 10 0 BHAERN CC[C@@H](C)C(=O)c1cc(C)c(OC)cc1C ZINC000159782903 351001894 /nfs/dbraw/zinc/00/18/94/351001894.db2.gz YVQCCRUJPXSLHZ-SECBINFHSA-N 0 0 220.312 3.541 10 0 BHAERN CC[C@H](C)C(=O)c1cc(C)c(OC)cc1C ZINC000159783046 351001789 /nfs/dbraw/zinc/00/17/89/351001789.db2.gz YVQCCRUJPXSLHZ-VIFPVBQESA-N 0 0 220.312 3.541 10 0 BHAERN Cc1cc(N)cc(SC2CCCC2)c1 ZINC000159869927 351014693 /nfs/dbraw/zinc/01/46/93/351014693.db2.gz ZDHHXTWRPSGAHO-UHFFFAOYSA-N 0 0 207.342 3.612 10 0 BHAERN CC(C)(C)C(=O)c1csc(Br)c1 ZINC000159913933 351027357 /nfs/dbraw/zinc/02/73/57/351027357.db2.gz DUICWRCAMFGILD-UHFFFAOYSA-N 0 0 247.157 3.739 10 0 BHAERN Fc1cc(Cl)cc(-c2nccc(Cl)n2)c1 ZINC000160088926 353133763 /nfs/dbraw/zinc/13/37/63/353133763.db2.gz XRHSZTIHTIAYRO-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Clc1cc(Cl)c2c(Cl)ncnc2c1 ZINC000160096224 353135695 /nfs/dbraw/zinc/13/56/95/353135695.db2.gz MROQSFNPYRPFOT-UHFFFAOYSA-N 0 0 233.485 3.590 10 0 BHAERN Clc1ccc(Cl)c2c(Cl)ncnc12 ZINC000160096493 353135670 /nfs/dbraw/zinc/13/56/70/353135670.db2.gz OHJIMLTXXNMBFL-UHFFFAOYSA-N 0 0 233.485 3.590 10 0 BHAERN CC[C@@H]1CCCC[C@@H]1C(=O)[C@@H]1CCSC1 ZINC000160255126 355761465 /nfs/dbraw/zinc/76/14/65/355761465.db2.gz DDKJFXGPZWOMKS-UTUOFQBUSA-N 0 0 226.385 3.525 10 0 BHAERN CC[C@@H]1CCCC[C@H]1C(=O)[C@@H]1CCSC1 ZINC000160255376 355761422 /nfs/dbraw/zinc/76/14/22/355761422.db2.gz DDKJFXGPZWOMKS-IJLUTSLNSA-N 0 0 226.385 3.525 10 0 BHAERN Cc1nc(Cl)c2c(C)ccc(Cl)c2n1 ZINC000160281840 355840382 /nfs/dbraw/zinc/84/03/82/355840382.db2.gz AHVXTIYSMGEZKG-UHFFFAOYSA-N 0 0 227.094 3.553 10 0 BHAERN Cc1occc1-c1ncc(C(C)C)s1 ZINC000160457849 356982437 /nfs/dbraw/zinc/98/24/37/356982437.db2.gz FLJZWKDXFVIHNE-UHFFFAOYSA-N 0 0 207.298 3.835 10 0 BHAERN CC/C(=C/[C@@H](C)O)c1cccc(Cl)c1 ZINC000160500159 357009768 /nfs/dbraw/zinc/00/97/68/357009768.db2.gz AAXDRHIJKJFBCL-SBMLRHLQSA-N 0 0 210.704 3.514 10 0 BHAERN CC/C(=C/[C@H](C)O)c1cccc(Cl)c1 ZINC000160500300 357009461 /nfs/dbraw/zinc/00/94/61/357009461.db2.gz AAXDRHIJKJFBCL-CBFJXKFUSA-N 0 0 210.704 3.514 10 0 BHAERN C/C(=C/[C@H](C)O)c1ccc(Cl)c(Cl)c1 ZINC000160506250 357019506 /nfs/dbraw/zinc/01/95/06/357019506.db2.gz MDPSWWVWBTXXHD-TVSKSKRASA-N 0 0 231.122 3.778 10 0 BHAERN C/C(=C/[C@@H](C)O)c1ccc(Cl)c(Cl)c1 ZINC000160506373 357019531 /nfs/dbraw/zinc/01/95/31/357019531.db2.gz MDPSWWVWBTXXHD-GRKOMRHMSA-N 0 0 231.122 3.778 10 0 BHAERN CCC1CCC(C(=O)[C@@H]2CCSC2)CC1 ZINC000160528933 357035943 /nfs/dbraw/zinc/03/59/43/357035943.db2.gz QEBGUKCPZWYYSG-HTAVTVPLSA-N 0 0 226.385 3.525 10 0 BHAERN CCC1CCC(C(=O)[C@H]2CCSC2)CC1 ZINC000160529056 357036064 /nfs/dbraw/zinc/03/60/64/357036064.db2.gz QEBGUKCPZWYYSG-MCIGGMRASA-N 0 0 226.385 3.525 10 0 BHAERN Cc1ccc(Oc2csc(C=O)c2)cc1 ZINC000160590270 357091987 /nfs/dbraw/zinc/09/19/87/357091987.db2.gz LTLJALIGHUSMGP-UHFFFAOYSA-N 0 0 218.277 3.661 10 0 BHAERN CC1CCC(Oc2csc(C=O)c2)CC1 ZINC000160592563 357106750 /nfs/dbraw/zinc/10/67/50/357106750.db2.gz MNZVCDWAEFEPKA-UHFFFAOYSA-N 0 0 224.325 3.518 10 0 BHAERN Cc1cccc(Oc2csc(C=O)c2)c1 ZINC000160598461 357112570 /nfs/dbraw/zinc/11/25/70/357112570.db2.gz JSKRHTXIXMOAIF-UHFFFAOYSA-N 0 0 218.277 3.661 10 0 BHAERN Cc1ccccc1Oc1csc(C=O)c1 ZINC000160598712 357112573 /nfs/dbraw/zinc/11/25/73/357112573.db2.gz KOPQTLRWMORUNS-UHFFFAOYSA-N 0 0 218.277 3.661 10 0 BHAERN Cc1ccccc1Oc1ccc(C=O)s1 ZINC000160598858 357112582 /nfs/dbraw/zinc/11/25/82/357112582.db2.gz KGMVVNNKOGLZOE-UHFFFAOYSA-N 0 0 218.277 3.661 10 0 BHAERN C[C@@H]1CCC[C@H](Oc2ccc(C=O)s2)C1 ZINC000160605667 357123433 /nfs/dbraw/zinc/12/34/33/357123433.db2.gz LSBUFFHABJTBNK-ZJUUUORDSA-N 0 0 224.325 3.518 10 0 BHAERN C[C@H]1CCC[C@H](Oc2ccc(C=O)s2)C1 ZINC000160605785 357123488 /nfs/dbraw/zinc/12/34/88/357123488.db2.gz LSBUFFHABJTBNK-UWVGGRQHSA-N 0 0 224.325 3.518 10 0 BHAERN C[C@@H]1CCC[C@@H](Oc2ccc(C=O)s2)C1 ZINC000160605934 357123843 /nfs/dbraw/zinc/12/38/43/357123843.db2.gz LSBUFFHABJTBNK-NXEZZACHSA-N 0 0 224.325 3.518 10 0 BHAERN C[C@H]1CCC[C@@H](Oc2ccc(C=O)s2)C1 ZINC000160606046 357123832 /nfs/dbraw/zinc/12/38/32/357123832.db2.gz LSBUFFHABJTBNK-VHSXEESVSA-N 0 0 224.325 3.518 10 0 BHAERN O=Cc1cc(Sc2cccs2)cs1 ZINC000160621192 357139566 /nfs/dbraw/zinc/13/95/66/357139566.db2.gz LJGWMIZOFAHDQZ-UHFFFAOYSA-N 0 0 226.347 3.773 10 0 BHAERN O=Cc1cc(Sc2ccccc2F)cs1 ZINC000160624165 357140041 /nfs/dbraw/zinc/14/00/41/357140041.db2.gz KWRFHFVGPZSBHD-UHFFFAOYSA-N 0 0 238.308 3.851 10 0 BHAERN O=Cc1ccc(Sc2ccccc2F)s1 ZINC000160624302 357141402 /nfs/dbraw/zinc/14/14/02/357141402.db2.gz RCKGTTFROLEJLE-UHFFFAOYSA-N 0 0 238.308 3.851 10 0 BHAERN O=Cc1cc(Sc2ccc(F)cc2)cs1 ZINC000160625121 357142029 /nfs/dbraw/zinc/14/20/29/357142029.db2.gz QJMHSTWKMBUWDQ-UHFFFAOYSA-N 0 0 238.308 3.851 10 0 BHAERN O=Cc1ccc(Sc2ccc(F)cc2)s1 ZINC000160625230 357141907 /nfs/dbraw/zinc/14/19/07/357141907.db2.gz LETOEYLCLMCLDW-UHFFFAOYSA-N 0 0 238.308 3.851 10 0 BHAERN O=Cc1ccc(SC2CCCCC2)s1 ZINC000160632703 357149496 /nfs/dbraw/zinc/14/94/96/357149496.db2.gz BYTPSDJJFQNYEH-UHFFFAOYSA-N 0 0 226.366 3.985 10 0 BHAERN O=Cc1cc(Sc2cccc(F)c2)cs1 ZINC000160644673 357156853 /nfs/dbraw/zinc/15/68/53/357156853.db2.gz QPVKWDFPLVINOV-UHFFFAOYSA-N 0 0 238.308 3.851 10 0 BHAERN O=C1CCC[C@H]1SCc1ccc(Cl)cc1 ZINC000160745839 358421427 /nfs/dbraw/zinc/42/14/27/358421427.db2.gz CQKQIXUTIXHFBT-GFCCVEGCSA-N 0 0 240.755 3.695 10 0 BHAERN O=C1CCC[C@@H]1SCc1ccc(Cl)cc1 ZINC000160745940 358421605 /nfs/dbraw/zinc/42/16/05/358421605.db2.gz CQKQIXUTIXHFBT-LBPRGKRZSA-N 0 0 240.755 3.695 10 0 BHAERN O=C(c1csc2ccccc12)C(F)(F)F ZINC000160798524 346464969 /nfs/dbraw/zinc/46/49/69/346464969.db2.gz AIZAVVIWLNCROV-UHFFFAOYSA-N 0 0 230.210 3.646 10 0 BHAERN O=C(c1cc(Cl)sc1Cl)C(F)(F)F ZINC000160800487 358649152 /nfs/dbraw/zinc/64/91/52/358649152.db2.gz LGWSPHSKGARSEB-UHFFFAOYSA-N 0 0 249.040 3.800 10 0 BHAERN Cc1cc(C(=O)C(F)(F)F)c(Cl)cc1F ZINC000160807130 358719270 /nfs/dbraw/zinc/71/92/70/358719270.db2.gz VGZDDMZNVMMOQN-UHFFFAOYSA-N 0 0 240.583 3.533 10 0 BHAERN Cc1ccc2ccccc2c1C(=O)C(C)C ZINC000160808361 358720602 /nfs/dbraw/zinc/72/06/02/358720602.db2.gz FBEQXZINKCZPAF-UHFFFAOYSA-N 0 0 212.292 3.987 10 0 BHAERN CC1(C)SCc2c(Cl)cc(F)cc2C1=O ZINC000160809509 358721262 /nfs/dbraw/zinc/72/12/62/358721262.db2.gz JQQZSYSSYQDYEL-UHFFFAOYSA-N 0 0 244.718 3.687 10 0 BHAERN Nc1cc(Cl)ccc1SC1CCC1 ZINC000161188943 363352679 /nfs/dbraw/zinc/35/26/79/363352679.db2.gz CTUXPIDILZYNQX-UHFFFAOYSA-N 0 0 213.733 3.567 10 0 BHAERN Nc1cccc(Cl)c1SC1CCC1 ZINC000161190645 363354937 /nfs/dbraw/zinc/35/49/37/363354937.db2.gz YLXXMEZUHKAPOJ-UHFFFAOYSA-N 0 0 213.733 3.567 10 0 BHAERN Nc1ccc(Cl)c(SC2CCC2)c1 ZINC000161194671 363391549 /nfs/dbraw/zinc/39/15/49/363391549.db2.gz JRYRPUGIVINDMF-UHFFFAOYSA-N 0 0 213.733 3.567 10 0 BHAERN Nc1ccc(SC2CCC2)cc1Cl ZINC000161195757 363391974 /nfs/dbraw/zinc/39/19/74/363391974.db2.gz QFUASAHVOJVPDJ-UHFFFAOYSA-N 0 0 213.733 3.567 10 0 BHAERN Nc1ccc(Cl)cc1SC1CCC1 ZINC000161196257 363392419 /nfs/dbraw/zinc/39/24/19/363392419.db2.gz GVLSHLSCTYAIOM-UHFFFAOYSA-N 0 0 213.733 3.567 10 0 BHAERN Cc1ccoc1-c1nc(C2CC2)cs1 ZINC000161350180 368137636 /nfs/dbraw/zinc/13/76/36/368137636.db2.gz AAMKPEIFQOOHOZ-UHFFFAOYSA-N 0 0 205.282 3.589 10 0 BHAERN Cc1ccoc1-c1ncc(C(C)C)s1 ZINC000161351249 368137455 /nfs/dbraw/zinc/13/74/55/368137455.db2.gz PAXKMERLJHHABX-UHFFFAOYSA-N 0 0 207.298 3.835 10 0 BHAERN Cc1cc(C(=O)c2ccc(Cl)s2)co1 ZINC000161418820 368559811 /nfs/dbraw/zinc/55/98/11/368559811.db2.gz PEJSJUAKDFFOTJ-UHFFFAOYSA-N 0 0 226.684 3.534 10 0 BHAERN Cc1cc(C(=O)c2sccc2Cl)co1 ZINC000161425385 368983740 /nfs/dbraw/zinc/98/37/40/368983740.db2.gz IBKWRDJFUWVBFX-UHFFFAOYSA-N 0 0 226.684 3.534 10 0 BHAERN Clc1nc2c(s1)CC1(CCCC1)CC2 ZINC000161445521 369089884 /nfs/dbraw/zinc/08/98/84/369089884.db2.gz PYOMDNPVDDKKRE-UHFFFAOYSA-N 0 0 227.760 3.846 10 0 BHAERN CCOc1ccc(-c2ccc(C=O)cc2C)cc1 ZINC000161617414 633009590 /nfs/dbraw/zinc/00/95/90/633009590.db2.gz RSRPZLIFZCQQTE-UHFFFAOYSA-N 0 0 240.302 3.873 10 0 BHAERN Cc1cc(F)ccc1-c1ccc(C=O)cc1C ZINC000161620596 538917032 /nfs/dbraw/zinc/91/70/32/538917032.db2.gz JKSCAGOQANEETO-UHFFFAOYSA-N 0 0 228.266 3.922 10 0 BHAERN Cc1cc(C=O)ccc1-c1ccsc1 ZINC000161637296 370683225 /nfs/dbraw/zinc/68/32/25/370683225.db2.gz SBTKDSKQWDRTIM-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN Cc1cc(-c2ccc(C=O)cc2C)cs1 ZINC000161637573 370683599 /nfs/dbraw/zinc/68/35/99/370683599.db2.gz JQKKCDGFDMBMBZ-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN Cc1ccc(-c2ccc(C=O)cc2F)s1 ZINC000161639181 370684387 /nfs/dbraw/zinc/68/43/87/370684387.db2.gz ZELVDERHVDLFCA-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161667376 387255143 /nfs/dbraw/zinc/25/51/43/387255143.db2.gz DBVUBDKTRCIQHA-AYRXBEOTSA-N 0 0 249.398 3.602 10 0 BHAERN Cc1ncsc1C(=O)C1CCCCCC1 ZINC000161714140 346497265 /nfs/dbraw/zinc/49/72/65/346497265.db2.gz AMCODHPFLALVMV-UHFFFAOYSA-N 0 0 223.341 3.605 10 0 BHAERN CCC(=O)c1cccc(Br)c1Cl ZINC000161745951 371560789 /nfs/dbraw/zinc/56/07/89/371560789.db2.gz CFWDOCFYRNDMSP-UHFFFAOYSA-N 0 0 247.519 3.695 10 0 BHAERN CC[C@H]1[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161747588 171686671 /nfs/dbraw/zinc/68/66/71/171686671.db2.gz IXGLKVLJQWEBBZ-UTUOFQBUSA-N 0 0 244.256 3.580 10 0 BHAERN CCC[C@H](O)c1ccc(C)c(Br)c1 ZINC000161771224 371564329 /nfs/dbraw/zinc/56/43/29/371564329.db2.gz GYYUSNPICVFGBX-NSHDSACASA-N 0 0 243.144 3.591 10 0 BHAERN CCC[C@@H](O)c1ccc(C)c(Br)c1 ZINC000161771372 371564432 /nfs/dbraw/zinc/56/44/32/371564432.db2.gz GYYUSNPICVFGBX-LLVKDONJSA-N 0 0 243.144 3.591 10 0 BHAERN CC[C@]1(C)[C@@H](c2ccc(OC(C)C)cc2)C[C@@H]1O ZINC000161796111 171209971 /nfs/dbraw/zinc/20/99/71/171209971.db2.gz HWSZINQFERWBHS-OWCLPIDISA-N 0 0 248.366 3.738 10 0 BHAERN CC[C@]1(C)[C@@H](c2c(C)cc(C)cc2C)C[C@@H]1O ZINC000161808044 171209169 /nfs/dbraw/zinc/20/91/69/171209169.db2.gz MWFYBVCSVWZIJH-IJEWVQPXSA-N 0 0 232.367 3.876 10 0 BHAERN Cc1sc(Cl)nc1-c1cccc(F)c1 ZINC000161820110 371567126 /nfs/dbraw/zinc/56/71/26/371567126.db2.gz XEPZDQSOFIPGKD-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN CCc1ccccc1C(=O)Cc1cccs1 ZINC000161946708 398320100 /nfs/dbraw/zinc/32/01/00/398320100.db2.gz IEZNRAOXSQXCKK-UHFFFAOYSA-N 0 0 230.332 3.736 10 0 BHAERN CCC(C)(C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000162196238 323600554 /nfs/dbraw/zinc/60/05/54/323600554.db2.gz QNJYDPSPPKDRJP-LBPRGKRZSA-N 0 0 248.370 3.544 10 0 BHAERN CCC(C)(C)NC(=O)N[C@H](C)c1ccccc1C ZINC000162196363 387330104 /nfs/dbraw/zinc/33/01/04/387330104.db2.gz QNJYDPSPPKDRJP-GFCCVEGCSA-N 0 0 248.370 3.544 10 0 BHAERN CCC(CC)C(=O)c1cc(C)cc(F)c1 ZINC000162352723 371663773 /nfs/dbraw/zinc/66/37/73/371663773.db2.gz IJMRDHGPWAIPBR-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN CCc1cccc(C(=O)C2CCCC2)c1 ZINC000162358579 356960464 /nfs/dbraw/zinc/96/04/64/356960464.db2.gz NQTVRHNXFLOALQ-UHFFFAOYSA-N 0 0 202.297 3.622 10 0 BHAERN CCc1cccc(C(=O)CC(C)(C)C)c1 ZINC000162358831 371664509 /nfs/dbraw/zinc/66/45/09/371664509.db2.gz RCGOXNSMUDNHLX-UHFFFAOYSA-N 0 0 204.313 3.868 10 0 BHAERN CNc1ncc(C2CCCCCC2)s1 ZINC000162398316 346521081 /nfs/dbraw/zinc/52/10/81/346521081.db2.gz SRJMNPSYJDUSHY-UHFFFAOYSA-N 0 0 210.346 3.623 10 0 BHAERN Clc1cc2c(cc1Cl)SCCN2 ZINC000162410603 371673330 /nfs/dbraw/zinc/67/33/30/371673330.db2.gz NIADPIDEYLQXAV-UHFFFAOYSA-N 0 0 220.124 3.511 10 0 BHAERN Clc1cc2c(cc1Cl)SCCCN2 ZINC000162414063 371674275 /nfs/dbraw/zinc/67/42/75/371674275.db2.gz KPCVIGPBWJFIFL-UHFFFAOYSA-N 0 0 234.151 3.901 10 0 BHAERN C[C@@H]1CNc2cc(Cl)c(Cl)cc2S1 ZINC000162426194 371680163 /nfs/dbraw/zinc/68/01/63/371680163.db2.gz RDCCKZLYNKLIRF-RXMQYKEDSA-N 0 0 234.151 3.900 10 0 BHAERN C[C@H]1CNc2cc(Cl)c(Cl)cc2S1 ZINC000162426299 371679759 /nfs/dbraw/zinc/67/97/59/371679759.db2.gz RDCCKZLYNKLIRF-YFKPBYRVSA-N 0 0 234.151 3.900 10 0 BHAERN Fc1ccc2c(Cl)c3c(nc2c1)CCCC3 ZINC000162500811 343205339 /nfs/dbraw/zinc/20/53/39/343205339.db2.gz YPJZOMHAULFXBN-UHFFFAOYSA-N 0 0 235.689 3.906 10 0 BHAERN CCC(C)(CC)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000162608740 538923781 /nfs/dbraw/zinc/92/37/81/538923781.db2.gz UXFNOMYBFMMWPE-NSHDSACASA-N 0 0 237.343 3.592 10 0 BHAERN CCC(C)(CC)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000162608877 538923420 /nfs/dbraw/zinc/92/34/20/538923420.db2.gz UXFNOMYBFMMWPE-LLVKDONJSA-N 0 0 237.343 3.592 10 0 BHAERN CCCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000162669204 168557140 /nfs/dbraw/zinc/55/71/40/168557140.db2.gz UZJHGPIEIBVXMJ-SMDDNHRTSA-N 0 0 231.339 3.541 10 0 BHAERN CCCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000162669317 384664168 /nfs/dbraw/zinc/66/41/68/384664168.db2.gz UZJHGPIEIBVXMJ-FZMZJTMJSA-N 0 0 231.339 3.541 10 0 BHAERN CCCC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000162669414 168557738 /nfs/dbraw/zinc/55/77/38/168557738.db2.gz UZJHGPIEIBVXMJ-BXUZGUMPSA-N 0 0 231.339 3.541 10 0 BHAERN CCCC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000162669516 168561909 /nfs/dbraw/zinc/56/19/09/168561909.db2.gz UZJHGPIEIBVXMJ-RISCZKNCSA-N 0 0 231.339 3.541 10 0 BHAERN Cc1nc(Cl)sc1-c1cccc(F)c1 ZINC000162684012 371819280 /nfs/dbraw/zinc/81/92/80/371819280.db2.gz TZRLAEOYORYCSX-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN Cc1nc(Cl)sc1-c1ccccc1F ZINC000162684156 371818786 /nfs/dbraw/zinc/81/87/86/371818786.db2.gz ZZNYHHVKWSINFE-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN CC[C@@H]1CNc2cc(Cl)ccc2S1 ZINC000162707579 371826807 /nfs/dbraw/zinc/82/68/07/371826807.db2.gz OODFAUCWQCCWNY-MRVPVSSYSA-N 0 0 213.733 3.636 10 0 BHAERN CC[C@H]1CNc2cc(Cl)ccc2S1 ZINC000162707683 371826083 /nfs/dbraw/zinc/82/60/83/371826083.db2.gz OODFAUCWQCCWNY-QMMMGPOBSA-N 0 0 213.733 3.636 10 0 BHAERN CC[C@@H]1CNc2cccc(Cl)c2S1 ZINC000162710547 371826026 /nfs/dbraw/zinc/82/60/26/371826026.db2.gz NFIMYFKYWOYMMW-SSDOTTSWSA-N 0 0 213.733 3.636 10 0 BHAERN CC[C@H]1CNc2cccc(Cl)c2S1 ZINC000162710668 371826890 /nfs/dbraw/zinc/82/68/90/371826890.db2.gz NFIMYFKYWOYMMW-ZETCQYMHSA-N 0 0 213.733 3.636 10 0 BHAERN CC[C@@H]1CNc2c(Cl)cccc2S1 ZINC000162713655 371828148 /nfs/dbraw/zinc/82/81/48/371828148.db2.gz HUKDKAXRERGFTI-SSDOTTSWSA-N 0 0 213.733 3.636 10 0 BHAERN CC[C@H]1CNc2c(Cl)cccc2S1 ZINC000162713781 371828098 /nfs/dbraw/zinc/82/80/98/371828098.db2.gz HUKDKAXRERGFTI-ZETCQYMHSA-N 0 0 213.733 3.636 10 0 BHAERN CC[C@@H]1CNc2ccc(Cl)cc2S1 ZINC000162715791 371827936 /nfs/dbraw/zinc/82/79/36/371827936.db2.gz SSTXMLCXCISDCY-MRVPVSSYSA-N 0 0 213.733 3.636 10 0 BHAERN CC[C@H]1CNc2ccc(Cl)cc2S1 ZINC000162715924 346536560 /nfs/dbraw/zinc/53/65/60/346536560.db2.gz SSTXMLCXCISDCY-QMMMGPOBSA-N 0 0 213.733 3.636 10 0 BHAERN CC(C)[C@@H]1CNc2cc(Cl)ccc2S1 ZINC000162718537 371828291 /nfs/dbraw/zinc/82/82/91/371828291.db2.gz QQRMCSBNFQPJMG-NSHDSACASA-N 0 0 227.760 3.882 10 0 BHAERN CC(C)[C@H]1CNc2cc(Cl)ccc2S1 ZINC000162718649 371828213 /nfs/dbraw/zinc/82/82/13/371828213.db2.gz QQRMCSBNFQPJMG-LLVKDONJSA-N 0 0 227.760 3.882 10 0 BHAERN Cc1ccc2c(c1)NC[C@H](C(C)C)S2 ZINC000162725623 371830820 /nfs/dbraw/zinc/83/08/20/371830820.db2.gz BBXMCZWCXPBKQZ-GFCCVEGCSA-N 0 0 207.342 3.537 10 0 BHAERN Cc1ccc2c(c1)NC[C@@H](C(C)C)S2 ZINC000162725742 371830118 /nfs/dbraw/zinc/83/01/18/371830118.db2.gz BBXMCZWCXPBKQZ-LBPRGKRZSA-N 0 0 207.342 3.537 10 0 BHAERN CC1(C)CNc2cc(Cl)ccc2S1 ZINC000162727666 371829767 /nfs/dbraw/zinc/82/97/67/371829767.db2.gz OCEIRZWFAOLXBM-UHFFFAOYSA-N 0 0 213.733 3.636 10 0 BHAERN CC1(C)CNc2cccc(Cl)c2S1 ZINC000162729370 371832531 /nfs/dbraw/zinc/83/25/31/371832531.db2.gz JYOKEPCFHHGXJA-UHFFFAOYSA-N 0 0 213.733 3.636 10 0 BHAERN CC1(C)CNc2c(Cl)cccc2S1 ZINC000162730878 371832064 /nfs/dbraw/zinc/83/20/64/371832064.db2.gz JCVPXJPSVNTSNM-UHFFFAOYSA-N 0 0 213.733 3.636 10 0 BHAERN CC1(C)CNc2ccc(Cl)cc2S1 ZINC000162731982 371834230 /nfs/dbraw/zinc/83/42/30/371834230.db2.gz LKSZVDLBNFBPPF-UHFFFAOYSA-N 0 0 213.733 3.636 10 0 BHAERN C[C@@H]1CCNc2cccc(Cl)c2S1 ZINC000162746849 371838207 /nfs/dbraw/zinc/83/82/07/371838207.db2.gz KIKGGYYUSFRZIZ-SSDOTTSWSA-N 0 0 213.733 3.636 10 0 BHAERN C[C@H]1CCNc2cccc(Cl)c2S1 ZINC000162746955 346536934 /nfs/dbraw/zinc/53/69/34/346536934.db2.gz KIKGGYYUSFRZIZ-ZETCQYMHSA-N 0 0 213.733 3.636 10 0 BHAERN C[C@@H]1CCNc2c(Cl)cccc2S1 ZINC000162749408 346538105 /nfs/dbraw/zinc/53/81/05/346538105.db2.gz ZCCFAWCKWGWZHI-SSDOTTSWSA-N 0 0 213.733 3.636 10 0 BHAERN C[C@H]1CCNc2c(Cl)cccc2S1 ZINC000162749529 371837827 /nfs/dbraw/zinc/83/78/27/371837827.db2.gz ZCCFAWCKWGWZHI-ZETCQYMHSA-N 0 0 213.733 3.636 10 0 BHAERN C[C@@H]1CCNc2ccc(Cl)cc2S1 ZINC000162751439 371839838 /nfs/dbraw/zinc/83/98/38/371839838.db2.gz NNGUCUBOTORATL-SSDOTTSWSA-N 0 0 213.733 3.636 10 0 BHAERN C[C@H]1CCNc2ccc(Cl)cc2S1 ZINC000162751542 371839980 /nfs/dbraw/zinc/83/99/80/371839980.db2.gz NNGUCUBOTORATL-ZETCQYMHSA-N 0 0 213.733 3.636 10 0 BHAERN C[C@@H]1CC[C@H](NC(=O)C2CCC2)c2ccccc21 ZINC000162758879 176231586 /nfs/dbraw/zinc/23/15/86/176231586.db2.gz NKMFNMSYJFOXOA-ABAIWWIYSA-N 0 0 243.350 3.541 10 0 BHAERN C[C@H]1CC[C@H](NC(=O)C2CCC2)c2ccccc21 ZINC000162758994 177204490 /nfs/dbraw/zinc/20/44/90/177204490.db2.gz NKMFNMSYJFOXOA-NHYWBVRUSA-N 0 0 243.350 3.541 10 0 BHAERN C[C@@H]1CC[C@@H](NC(=O)C2CCC2)c2ccccc21 ZINC000162759113 176209964 /nfs/dbraw/zinc/20/99/64/176209964.db2.gz NKMFNMSYJFOXOA-IAQYHMDHSA-N 0 0 243.350 3.541 10 0 BHAERN C[C@H]1CC[C@@H](NC(=O)C2CCC2)c2ccccc21 ZINC000162759208 177192077 /nfs/dbraw/zinc/19/20/77/177192077.db2.gz NKMFNMSYJFOXOA-XHDPSFHLSA-N 0 0 243.350 3.541 10 0 BHAERN CC(C)=CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000162759814 634340302 /nfs/dbraw/zinc/34/03/02/634340302.db2.gz ARRCLCRBTVQPRH-DOMZBBRYSA-N 0 0 243.350 3.707 10 0 BHAERN CC(C)=CC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000162759932 634340243 /nfs/dbraw/zinc/34/02/43/634340243.db2.gz ARRCLCRBTVQPRH-WFASDCNBSA-N 0 0 243.350 3.707 10 0 BHAERN CC(C)=CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000162760052 631320815 /nfs/dbraw/zinc/32/08/15/631320815.db2.gz ARRCLCRBTVQPRH-IUODEOHRSA-N 0 0 243.350 3.707 10 0 BHAERN CC(C)=CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000162760182 634339333 /nfs/dbraw/zinc/33/93/33/634339333.db2.gz ARRCLCRBTVQPRH-SWLSCSKDSA-N 0 0 243.350 3.707 10 0 BHAERN CC[C@H]1SCc2ccc(SC)cc2C1=O ZINC000162760619 371840389 /nfs/dbraw/zinc/84/03/89/371840389.db2.gz LQTOUMBZNDAPDY-LLVKDONJSA-N 0 0 238.377 3.617 10 0 BHAERN CC[C@@H]1SCc2ccc(SC)cc2C1=O ZINC000162760736 371841022 /nfs/dbraw/zinc/84/10/22/371841022.db2.gz LQTOUMBZNDAPDY-NSHDSACASA-N 0 0 238.377 3.617 10 0 BHAERN CC[C@H]1SCc2ccc(Cl)cc2C1=O ZINC000162762581 371842738 /nfs/dbraw/zinc/84/27/38/371842738.db2.gz YDNGGCSGIYMLDK-SNVBAGLBSA-N 0 0 226.728 3.548 10 0 BHAERN CC[C@@H]1SCc2ccc(Cl)cc2C1=O ZINC000162762689 371843248 /nfs/dbraw/zinc/84/32/48/371843248.db2.gz YDNGGCSGIYMLDK-JTQLQIEISA-N 0 0 226.728 3.548 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1cscn1 ZINC000162792782 179306943 /nfs/dbraw/zinc/30/69/43/179306943.db2.gz NQEHDHAPWMMPOL-JTQLQIEISA-N 0 0 218.325 3.625 10 0 BHAERN Cc1ccccc1N[C@H](C)c1cscn1 ZINC000162792901 179307097 /nfs/dbraw/zinc/30/70/97/179307097.db2.gz NQEHDHAPWMMPOL-SNVBAGLBSA-N 0 0 218.325 3.625 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1cncs1 ZINC000162794065 179306853 /nfs/dbraw/zinc/30/68/53/179306853.db2.gz UQWOVLGFSXINDL-JTQLQIEISA-N 0 0 218.325 3.625 10 0 BHAERN Cc1ccccc1N[C@H](C)c1cncs1 ZINC000162794201 179306855 /nfs/dbraw/zinc/30/68/55/179306855.db2.gz UQWOVLGFSXINDL-SNVBAGLBSA-N 0 0 218.325 3.625 10 0 BHAERN Cc1cccc(N[C@@H](C)c2cncs2)c1C ZINC000162796161 179153143 /nfs/dbraw/zinc/15/31/43/179153143.db2.gz FISRXTHJDNUGBV-NSHDSACASA-N 0 0 232.352 3.933 10 0 BHAERN Cc1cccc(N[C@H](C)c2cncs2)c1C ZINC000162796274 179157279 /nfs/dbraw/zinc/15/72/79/179157279.db2.gz FISRXTHJDNUGBV-LLVKDONJSA-N 0 0 232.352 3.933 10 0 BHAERN CCc1ccccc1N[C@@H](C)c1cncs1 ZINC000162800909 201564598 /nfs/dbraw/zinc/56/45/98/201564598.db2.gz BHZLGLRFEDGISJ-JTQLQIEISA-N 0 0 232.352 3.879 10 0 BHAERN CCc1ccccc1N[C@H](C)c1cncs1 ZINC000162801018 202068065 /nfs/dbraw/zinc/06/80/65/202068065.db2.gz BHZLGLRFEDGISJ-SNVBAGLBSA-N 0 0 232.352 3.879 10 0 BHAERN Cc1cc(C=O)c(C)n1[C@@H](C)C(C)(C)C ZINC000162811830 346539370 /nfs/dbraw/zinc/53/93/70/346539370.db2.gz HOUCYQQBUPTNOZ-NSHDSACASA-N 0 0 207.317 3.525 10 0 BHAERN Cc1cc(C=O)c(C)n1[C@H](C)C(C)(C)C ZINC000162811961 371858990 /nfs/dbraw/zinc/85/89/90/371858990.db2.gz HOUCYQQBUPTNOZ-LLVKDONJSA-N 0 0 207.317 3.525 10 0 BHAERN CCc1ccc(N[C@@H](C)c2cncs2)cc1 ZINC000162834630 384697203 /nfs/dbraw/zinc/69/72/03/384697203.db2.gz LLDPUVXFTRWPHI-JTQLQIEISA-N 0 0 232.352 3.879 10 0 BHAERN CCc1ccc(N[C@H](C)c2cncs2)cc1 ZINC000162834773 384695356 /nfs/dbraw/zinc/69/53/56/384695356.db2.gz LLDPUVXFTRWPHI-SNVBAGLBSA-N 0 0 232.352 3.879 10 0 BHAERN C[C@@H](Nc1ccc(Cl)cn1)C(C)(C)C ZINC000162835314 371864648 /nfs/dbraw/zinc/86/46/48/371864648.db2.gz TYUFHKLQVLMLDD-MRVPVSSYSA-N 0 0 212.724 3.582 10 0 BHAERN C[C@H](Nc1nc(Cl)cs1)C(C)(C)C ZINC000162837682 346540442 /nfs/dbraw/zinc/54/04/42/346540442.db2.gz JDEQJYBEPROYLW-LURJTMIESA-N 0 0 218.753 3.643 10 0 BHAERN CCc1cccc(N[C@@H](C)c2cncs2)c1 ZINC000162839610 384696961 /nfs/dbraw/zinc/69/69/61/384696961.db2.gz SZLWEFNWFCOZEX-JTQLQIEISA-N 0 0 232.352 3.879 10 0 BHAERN CCc1cccc(N[C@H](C)c2cncs2)c1 ZINC000162839725 171862983 /nfs/dbraw/zinc/86/29/83/171862983.db2.gz SZLWEFNWFCOZEX-SNVBAGLBSA-N 0 0 232.352 3.879 10 0 BHAERN C[C@H](Nc1cc(Cl)nnc1Cl)C(C)(C)C ZINC000162847203 371866570 /nfs/dbraw/zinc/86/65/70/371866570.db2.gz PZYJVIPIKJXJSG-LURJTMIESA-N 0 0 248.157 3.630 10 0 BHAERN C[C@@H](Nc1cc(Cl)nnc1Cl)C(C)(C)C ZINC000162847325 371865841 /nfs/dbraw/zinc/86/58/41/371865841.db2.gz PZYJVIPIKJXJSG-ZCFIWIBFSA-N 0 0 248.157 3.630 10 0 BHAERN CC(C)CC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000162847964 360774537 /nfs/dbraw/zinc/77/45/37/360774537.db2.gz HIAAHKTUXZKPBZ-DOMZBBRYSA-N 0 0 245.366 3.787 10 0 BHAERN CC(C)CC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000162848064 360775685 /nfs/dbraw/zinc/77/56/85/360775685.db2.gz HIAAHKTUXZKPBZ-WFASDCNBSA-N 0 0 245.366 3.787 10 0 BHAERN CC(C)CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000162848171 360775930 /nfs/dbraw/zinc/77/59/30/360775930.db2.gz HIAAHKTUXZKPBZ-IUODEOHRSA-N 0 0 245.366 3.787 10 0 BHAERN CC(C)CC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000162848274 360776093 /nfs/dbraw/zinc/77/60/93/360776093.db2.gz HIAAHKTUXZKPBZ-SWLSCSKDSA-N 0 0 245.366 3.787 10 0 BHAERN C[C@H](Nc1nc(C(C)(C)C)ns1)C(C)(C)C ZINC000162850119 176938365 /nfs/dbraw/zinc/93/83/65/176938365.db2.gz LFJKVSQQJCMISL-QMMMGPOBSA-N 0 0 241.404 3.682 10 0 BHAERN C[C@@H](Nc1nc(C(C)(C)C)ns1)C(C)(C)C ZINC000162850221 175936267 /nfs/dbraw/zinc/93/62/67/175936267.db2.gz LFJKVSQQJCMISL-MRVPVSSYSA-N 0 0 241.404 3.682 10 0 BHAERN O=C1CCC[C@@H](c2cc(F)ccc2Cl)C1 ZINC000162859544 371868181 /nfs/dbraw/zinc/86/81/81/371868181.db2.gz HBDOTTZKXUZWBF-MRVPVSSYSA-N 0 0 226.678 3.706 10 0 BHAERN O=C1CCC[C@H](c2cc(F)ccc2Cl)C1 ZINC000162859669 371869956 /nfs/dbraw/zinc/86/99/56/371869956.db2.gz HBDOTTZKXUZWBF-QMMMGPOBSA-N 0 0 226.678 3.706 10 0 BHAERN O=C1CCCC[C@H]1c1cc(F)ccc1Cl ZINC000162864199 371871032 /nfs/dbraw/zinc/87/10/32/371871032.db2.gz KORLZXFQNBJYLH-VIFPVBQESA-N 0 0 226.678 3.706 10 0 BHAERN O=C1CCCC[C@@H]1c1cc(F)ccc1Cl ZINC000162864312 371870931 /nfs/dbraw/zinc/87/09/31/371870931.db2.gz KORLZXFQNBJYLH-SECBINFHSA-N 0 0 226.678 3.706 10 0 BHAERN C[C@H](Nc1cccc(Cl)c1)c1cncs1 ZINC000162871777 361369631 /nfs/dbraw/zinc/36/96/31/361369631.db2.gz UKICUMPKPOGNES-QMMMGPOBSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](Nc1cccc(Cl)c1)c1cncs1 ZINC000162871925 133536429 /nfs/dbraw/zinc/53/64/29/133536429.db2.gz UKICUMPKPOGNES-MRVPVSSYSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](Nc1cccc(Cl)n1)C(C)(C)C ZINC000162875351 371873531 /nfs/dbraw/zinc/87/35/31/371873531.db2.gz LYDNHPXVJZMXCV-MRVPVSSYSA-N 0 0 212.724 3.582 10 0 BHAERN CCC(O)(CC)CSc1ccc(Cl)cc1 ZINC000162883264 202089069 /nfs/dbraw/zinc/08/90/69/202089069.db2.gz FFMCJWHJWLALEQ-UHFFFAOYSA-N 0 0 244.787 3.983 10 0 BHAERN CCC(=O)c1cc(C)c(Br)c(C)c1 ZINC000162885621 371874836 /nfs/dbraw/zinc/87/48/36/371874836.db2.gz OXEJZEPZVVSNLN-UHFFFAOYSA-N 0 0 241.128 3.659 10 0 BHAERN CCC(O)(CC)CSc1cccc(C)c1 ZINC000162897234 202092459 /nfs/dbraw/zinc/09/24/59/202092459.db2.gz DRMMSMZYGYMARC-UHFFFAOYSA-N 0 0 224.369 3.638 10 0 BHAERN Cc1cccc(C(=O)OC(C)(C)C)c1Cl ZINC000162929530 371887697 /nfs/dbraw/zinc/88/76/97/371887697.db2.gz QKPPHJDKTHCPQG-UHFFFAOYSA-N 0 0 226.703 3.604 10 0 BHAERN C[C@H](Nc1ccc(Cl)cc1)c1cncs1 ZINC000162934316 133538466 /nfs/dbraw/zinc/53/84/66/133538466.db2.gz HDOSPXNOKLKXIX-QMMMGPOBSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](Nc1ccc(Cl)cc1)c1cncs1 ZINC000162934416 133538502 /nfs/dbraw/zinc/53/85/02/133538502.db2.gz HDOSPXNOKLKXIX-MRVPVSSYSA-N 0 0 238.743 3.970 10 0 BHAERN Cc1cc(N[C@@H](C)c2cncs2)ccc1F ZINC000162951569 178181156 /nfs/dbraw/zinc/18/11/56/178181156.db2.gz GFWLBKHIBJLDHB-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN Cc1cc(N[C@H](C)c2cncs2)ccc1F ZINC000162951683 178187167 /nfs/dbraw/zinc/18/71/67/178187167.db2.gz GFWLBKHIBJLDHB-SECBINFHSA-N 0 0 236.315 3.764 10 0 BHAERN Cc1ccc(N[C@@H](C)c2cncs2)c(C)c1 ZINC000162988594 384714549 /nfs/dbraw/zinc/71/45/49/384714549.db2.gz WYOUQTAJWNHFIE-NSHDSACASA-N 0 0 232.352 3.933 10 0 BHAERN Cc1ccc(N[C@H](C)c2cncs2)c(C)c1 ZINC000162988711 384716675 /nfs/dbraw/zinc/71/66/75/384716675.db2.gz WYOUQTAJWNHFIE-LLVKDONJSA-N 0 0 232.352 3.933 10 0 BHAERN Cc1cc(F)ccc1N[C@@H](C)c1cncs1 ZINC000162990473 178090574 /nfs/dbraw/zinc/09/05/74/178090574.db2.gz GJRMKITUTGSBAH-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN Cc1cc(F)ccc1N[C@H](C)c1cncs1 ZINC000162990603 178090935 /nfs/dbraw/zinc/09/09/35/178090935.db2.gz GJRMKITUTGSBAH-SECBINFHSA-N 0 0 236.315 3.764 10 0 BHAERN Cc1ccc(C)c(N[C@@H](C)c2cncs2)c1 ZINC000163026468 178485412 /nfs/dbraw/zinc/48/54/12/178485412.db2.gz IZJXGXFQWCAVGB-NSHDSACASA-N 0 0 232.352 3.933 10 0 BHAERN Cc1ccc(C)c(N[C@H](C)c2cncs2)c1 ZINC000163026576 384722466 /nfs/dbraw/zinc/72/24/66/384722466.db2.gz IZJXGXFQWCAVGB-LLVKDONJSA-N 0 0 232.352 3.933 10 0 BHAERN Fc1cc(-c2nccnc2Cl)ccc1Cl ZINC000163027623 371914514 /nfs/dbraw/zinc/91/45/14/371914514.db2.gz XARDMIZKYKMKPA-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN CCOC[C@@H](C)Nc1ccccc1C(C)C ZINC000163037070 202148924 /nfs/dbraw/zinc/14/89/24/202148924.db2.gz RIXXWVQGOIJYGL-GFCCVEGCSA-N 0 0 221.344 3.647 10 0 BHAERN CCOC[C@H](C)Nc1ccccc1C(C)C ZINC000163037174 202149626 /nfs/dbraw/zinc/14/96/26/202149626.db2.gz RIXXWVQGOIJYGL-LBPRGKRZSA-N 0 0 221.344 3.647 10 0 BHAERN CO[C@H](C)[C@H](C)Nc1ccccc1C(C)C ZINC000163037332 538926131 /nfs/dbraw/zinc/92/61/31/538926131.db2.gz RSYAKQSCPUZTMG-NWDGAFQWSA-N 0 0 221.344 3.645 10 0 BHAERN CO[C@H](C)[C@@H](C)Nc1ccccc1C(C)C ZINC000163037432 538925968 /nfs/dbraw/zinc/92/59/68/538925968.db2.gz RSYAKQSCPUZTMG-VXGBXAGGSA-N 0 0 221.344 3.645 10 0 BHAERN CO[C@@H](C)[C@H](C)Nc1ccccc1C(C)C ZINC000163037535 538926001 /nfs/dbraw/zinc/92/60/01/538926001.db2.gz RSYAKQSCPUZTMG-RYUDHWBXSA-N 0 0 221.344 3.645 10 0 BHAERN CO[C@@H](C)[C@@H](C)Nc1ccccc1C(C)C ZINC000163037638 538925969 /nfs/dbraw/zinc/92/59/69/538925969.db2.gz RSYAKQSCPUZTMG-NEPJUHHUSA-N 0 0 221.344 3.645 10 0 BHAERN Cc1ccc(F)cc1N[C@@H](C)c1cncs1 ZINC000163039262 384723752 /nfs/dbraw/zinc/72/37/52/384723752.db2.gz KIPNAKJSYWLKTK-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN Cc1ccc(F)cc1N[C@H](C)c1cncs1 ZINC000163039344 178692444 /nfs/dbraw/zinc/69/24/44/178692444.db2.gz KIPNAKJSYWLKTK-SECBINFHSA-N 0 0 236.315 3.764 10 0 BHAERN Cc1cc(F)cc(N[C@@H](C)c2cncs2)c1 ZINC000163047811 178079188 /nfs/dbraw/zinc/07/91/88/178079188.db2.gz RUNNJVYOSXTYOM-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN Cc1cc(F)cc(N[C@H](C)c2cncs2)c1 ZINC000163047901 178079671 /nfs/dbraw/zinc/07/96/71/178079671.db2.gz RUNNJVYOSXTYOM-SECBINFHSA-N 0 0 236.315 3.764 10 0 BHAERN Cc1c(F)cccc1N[C@@H](C)c1cncs1 ZINC000163050540 177608843 /nfs/dbraw/zinc/60/88/43/177608843.db2.gz UOTDHYSZMNVKBS-VIFPVBQESA-N 0 0 236.315 3.764 10 0 BHAERN Cc1c(F)cccc1N[C@H](C)c1cncs1 ZINC000163050662 384727221 /nfs/dbraw/zinc/72/72/21/384727221.db2.gz UOTDHYSZMNVKBS-SECBINFHSA-N 0 0 236.315 3.764 10 0 BHAERN CSc1cc(Cl)nc(-c2ccccc2)n1 ZINC000163052043 371919839 /nfs/dbraw/zinc/91/98/39/371919839.db2.gz JEMFUXQHRAOPEO-UHFFFAOYSA-N 0 0 236.727 3.519 10 0 BHAERN Clc1ccccc1-c1cccc2c1CCN2 ZINC000163084960 346547663 /nfs/dbraw/zinc/54/76/63/346547663.db2.gz QAAZZODKAMUCLN-UHFFFAOYSA-N 0 0 229.710 3.975 10 0 BHAERN CC1(C)CCC(Oc2nsnc2Cl)CC1 ZINC000163212867 371952945 /nfs/dbraw/zinc/95/29/45/371952945.db2.gz LQYKFQLNVMXKQQ-UHFFFAOYSA-N 0 0 246.763 3.539 10 0 BHAERN COc1cc(C2CCCCC2)ccc1C(C)=O ZINC000163239182 343527272 /nfs/dbraw/zinc/52/72/72/343527272.db2.gz ZTTKZMDZUHMRHD-UHFFFAOYSA-N 0 0 232.323 3.946 10 0 BHAERN CC[C@@H](C)[C@H](O)c1cc(Cl)ccc1F ZINC000163280332 346554078 /nfs/dbraw/zinc/55/40/78/346554078.db2.gz NIVBIGLDNAKUTD-HQJQHLMTSA-N 0 0 216.683 3.559 10 0 BHAERN CC[C@H](C)[C@H](O)c1cc(Cl)ccc1F ZINC000163280442 371964217 /nfs/dbraw/zinc/96/42/17/371964217.db2.gz NIVBIGLDNAKUTD-CPCISQLKSA-N 0 0 216.683 3.559 10 0 BHAERN CC[C@@H](C)[C@@H](O)c1cc(Cl)ccc1F ZINC000163280556 371964220 /nfs/dbraw/zinc/96/42/20/371964220.db2.gz NIVBIGLDNAKUTD-RDDDGLTNSA-N 0 0 216.683 3.559 10 0 BHAERN CC[C@H](C)[C@@H](O)c1cc(Cl)ccc1F ZINC000163280680 371964358 /nfs/dbraw/zinc/96/43/58/371964358.db2.gz NIVBIGLDNAKUTD-WRWORJQWSA-N 0 0 216.683 3.559 10 0 BHAERN Cc1cc(C(=O)[C@@H](C)C2CC2)c(C)s1 ZINC000163382101 371986559 /nfs/dbraw/zinc/98/65/59/371986559.db2.gz ONILXDJBUZMWKQ-QMMMGPOBSA-N 0 0 208.326 3.594 10 0 BHAERN Cc1cc(C(=O)[C@H](C)C2CC2)c(C)s1 ZINC000163382221 371986610 /nfs/dbraw/zinc/98/66/10/371986610.db2.gz ONILXDJBUZMWKQ-MRVPVSSYSA-N 0 0 208.326 3.594 10 0 BHAERN Cc1ccc(C(=O)[C@@H](C)C2CC2)cc1C ZINC000163384085 346559201 /nfs/dbraw/zinc/55/92/01/346559201.db2.gz FUMNHJJRHOWNHG-NSHDSACASA-N 0 0 202.297 3.532 10 0 BHAERN Cc1ccc(C(=O)[C@H](C)C2CC2)cc1C ZINC000163384195 371986196 /nfs/dbraw/zinc/98/61/96/371986196.db2.gz FUMNHJJRHOWNHG-LLVKDONJSA-N 0 0 202.297 3.532 10 0 BHAERN C[C@H](C(=O)c1sccc1Cl)C1CC1 ZINC000163404278 371989878 /nfs/dbraw/zinc/98/98/78/371989878.db2.gz STQUISZAHZRHIK-LURJTMIESA-N 0 0 214.717 3.630 10 0 BHAERN C[C@@H](C(=O)c1sccc1Cl)C1CC1 ZINC000163404406 371990071 /nfs/dbraw/zinc/99/00/71/371990071.db2.gz STQUISZAHZRHIK-ZCFIWIBFSA-N 0 0 214.717 3.630 10 0 BHAERN CCC(C)(C)c1ccc(N)c(Br)c1 ZINC000163406912 384833768 /nfs/dbraw/zinc/83/37/68/384833768.db2.gz XSBKTFFXRDJOTP-UHFFFAOYSA-N 0 0 242.160 3.719 10 0 BHAERN Cc1ccncc1N[C@@H](C)CCCC(F)(F)F ZINC000163426000 388287667 /nfs/dbraw/zinc/28/76/67/388287667.db2.gz SHAWGFAUQZFBIP-JTQLQIEISA-N 0 0 246.276 3.923 10 0 BHAERN Cc1ccncc1N[C@H](C)CCCC(F)(F)F ZINC000163426101 388287849 /nfs/dbraw/zinc/28/78/49/388287849.db2.gz SHAWGFAUQZFBIP-SNVBAGLBSA-N 0 0 246.276 3.923 10 0 BHAERN CC(C)[C@@H](C)NC(=O)CC1(C)CCCCC1 ZINC000163429107 388362119 /nfs/dbraw/zinc/36/21/19/388362119.db2.gz PWVSTNMIMIYREK-GFCCVEGCSA-N 0 0 225.376 3.508 10 0 BHAERN CC(C)[C@H](C)NC(=O)CC1(C)CCCCC1 ZINC000163429222 388362141 /nfs/dbraw/zinc/36/21/41/388362141.db2.gz PWVSTNMIMIYREK-LBPRGKRZSA-N 0 0 225.376 3.508 10 0 BHAERN Fc1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000163446648 345770169 /nfs/dbraw/zinc/77/01/69/345770169.db2.gz SEMLETCZFGYMSE-UHFFFAOYSA-N 0 0 208.182 3.771 10 0 BHAERN CCC1CCC(Nc2ncncc2Cl)CC1 ZINC000163597411 386173797 /nfs/dbraw/zinc/17/37/97/386173797.db2.gz PWQRAVKMNHINTG-UHFFFAOYSA-N 0 0 239.750 3.511 10 0 BHAERN C[C@@H]1CC(=O)c2cc(Cl)cc(F)c2CS1 ZINC000163653875 398324612 /nfs/dbraw/zinc/32/46/12/398324612.db2.gz CBHXQBMWPCBTKK-ZCFIWIBFSA-N 0 0 244.718 3.687 10 0 BHAERN C[C@H]1CC(=O)c2cc(Cl)cc(F)c2CS1 ZINC000163654009 398324587 /nfs/dbraw/zinc/32/45/87/398324587.db2.gz CBHXQBMWPCBTKK-LURJTMIESA-N 0 0 244.718 3.687 10 0 BHAERN C[C@@H]1CSCc2c(F)cc(Cl)cc2C1=O ZINC000163654130 398324420 /nfs/dbraw/zinc/32/44/20/398324420.db2.gz SLTIDNKALZVQLJ-ZCFIWIBFSA-N 0 0 244.718 3.545 10 0 BHAERN C[C@H]1CSCc2c(F)cc(Cl)cc2C1=O ZINC000163654247 398324582 /nfs/dbraw/zinc/32/45/82/398324582.db2.gz SLTIDNKALZVQLJ-LURJTMIESA-N 0 0 244.718 3.545 10 0 BHAERN CC1(C)CCCN1C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000163672685 326404530 /nfs/dbraw/zinc/40/45/30/326404530.db2.gz FECUGFZBZALVJC-ZIAGYGMSSA-N 0 0 249.398 3.604 10 0 BHAERN CC1(C)CCCN1C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000163672783 324211020 /nfs/dbraw/zinc/21/10/20/324211020.db2.gz FECUGFZBZALVJC-KGLIPLIRSA-N 0 0 249.398 3.604 10 0 BHAERN CC1(C)CCCN1C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000163672881 388366869 /nfs/dbraw/zinc/36/68/69/388366869.db2.gz FECUGFZBZALVJC-UONOGXRCSA-N 0 0 249.398 3.604 10 0 BHAERN CC1(C)CCCN1C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000163672986 388366624 /nfs/dbraw/zinc/36/66/24/388366624.db2.gz FECUGFZBZALVJC-KBPBESRZSA-N 0 0 249.398 3.604 10 0 BHAERN Fc1ccc(Cl)cc1-c1cc(Cl)on1 ZINC000163835956 346579297 /nfs/dbraw/zinc/57/92/97/346579297.db2.gz CMJIBWSZSXTUFJ-UHFFFAOYSA-N 0 0 232.041 3.788 10 0 BHAERN Fc1ccc(Cl)cc1-c1nccnc1Cl ZINC000163850836 346580115 /nfs/dbraw/zinc/58/01/15/346580115.db2.gz IFSXZQYGSMZHJW-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Cc1ccoc1C(=O)CC1CCCCC1 ZINC000163867207 346580788 /nfs/dbraw/zinc/58/07/88/346580788.db2.gz GYQZCJOIYNEYOT-UHFFFAOYSA-N 0 0 206.285 3.741 10 0 BHAERN CCCc1ccc(C(=O)C(F)(F)Cl)cc1 ZINC000163983604 351435205 /nfs/dbraw/zinc/43/52/05/351435205.db2.gz AFVBEWTTXXNEMV-UHFFFAOYSA-N 0 0 232.657 3.653 10 0 BHAERN O=C(c1cccc2ccsc21)C(F)(F)Cl ZINC000164000266 346586370 /nfs/dbraw/zinc/58/63/70/346586370.db2.gz CQYFLRZXAKOSTG-UHFFFAOYSA-N 0 0 246.665 3.916 10 0 BHAERN COc1cc(C(=O)C2CCCCC2)ccc1F ZINC000164032609 346587411 /nfs/dbraw/zinc/58/74/11/346587411.db2.gz CQVFVVHLMNESGF-UHFFFAOYSA-N 0 0 236.286 3.597 10 0 BHAERN CCCC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000164034220 351490661 /nfs/dbraw/zinc/49/06/61/351490661.db2.gz OKIAASKAAGONHR-UHFFFAOYSA-N 0 0 234.192 3.827 10 0 BHAERN O=C(c1ccc(OC(F)F)cc1)C1CCCC1 ZINC000164038098 346587522 /nfs/dbraw/zinc/58/75/22/346587522.db2.gz BNGZBMAVEAKROP-UHFFFAOYSA-N 0 0 240.249 3.661 10 0 BHAERN COCCc1ccc(-c2ccccc2)cc1 ZINC000164038100 384517877 /nfs/dbraw/zinc/51/78/77/384517877.db2.gz VRFZYLKAQMPIHT-UHFFFAOYSA-N 0 0 212.292 3.543 10 0 BHAERN O=C(c1cccc(OC(F)F)c1)C1CCCC1 ZINC000164039533 346587284 /nfs/dbraw/zinc/58/72/84/346587284.db2.gz CCCBCJLYROFFGW-UHFFFAOYSA-N 0 0 240.249 3.661 10 0 BHAERN CC(C)CC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000164044190 346588431 /nfs/dbraw/zinc/58/84/31/346588431.db2.gz HCGDXHNOUCSDAL-UHFFFAOYSA-N 0 0 246.228 3.814 10 0 BHAERN CC(C)CC(=O)c1cccc(OC(F)F)c1 ZINC000164044321 345782431 /nfs/dbraw/zinc/78/24/31/345782431.db2.gz XORCIMBZJLIUOL-UHFFFAOYSA-N 0 0 228.238 3.517 10 0 BHAERN Cc1cccc(C(=O)CC(C)C)c1Cl ZINC000164045717 346588521 /nfs/dbraw/zinc/58/85/21/346588521.db2.gz GOPYWKCBAUEYSO-UHFFFAOYSA-N 0 0 210.704 3.877 10 0 BHAERN COc1cccc(C(=O)CCC2CCCC2)c1 ZINC000164060205 346588009 /nfs/dbraw/zinc/58/80/09/346588009.db2.gz OTGZFNUCHIIHPN-UHFFFAOYSA-N 0 0 232.323 3.848 10 0 BHAERN Cc1cc(SC(C)C)ncc1Br ZINC000164066663 346589299 /nfs/dbraw/zinc/58/92/99/346589299.db2.gz FAWPUBKINGVAJB-UHFFFAOYSA-N 0 0 246.173 3.653 10 0 BHAERN CCc1cc(C)c(C(F)(F)F)c(C)c1 ZINC000164067632 372091168 /nfs/dbraw/zinc/09/11/68/372091168.db2.gz VJOHUSKRLUXCKO-UHFFFAOYSA-N 0 0 202.219 3.885 10 0 BHAERN COc1ccccc1C(=O)CCC1CCCC1 ZINC000164111094 346591232 /nfs/dbraw/zinc/59/12/32/346591232.db2.gz NYOPRFZLVQRDJG-UHFFFAOYSA-N 0 0 232.323 3.848 10 0 BHAERN Cc1ccc(C(=O)CCc2ccccc2)c(F)c1 ZINC000164121441 345778335 /nfs/dbraw/zinc/77/83/35/345778335.db2.gz YRIHZGUQSOSUOT-UHFFFAOYSA-N 0 0 242.293 3.950 10 0 BHAERN CC(C)C(=O)c1ccc(C2CCC2)cc1 ZINC000164133064 346591990 /nfs/dbraw/zinc/59/19/90/346591990.db2.gz MHLWJWXPXAAUAR-UHFFFAOYSA-N 0 0 202.297 3.793 10 0 BHAERN CCCC(=O)OCC[C@@H](C)CC(C)(C)C ZINC000164293763 384723495 /nfs/dbraw/zinc/72/34/95/384723495.db2.gz HUSIKNOPTGNAOC-LLVKDONJSA-N 0 0 214.349 3.792 10 0 BHAERN Cc1ccc(-c2ccc3c(c2)C[C@H](C)O3)c(N)c1 ZINC000164297365 640469099 /nfs/dbraw/zinc/46/90/99/640469099.db2.gz XVNRRXISIQAHQG-NSHDSACASA-N 0 0 239.318 3.568 10 0 BHAERN Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)c(N)c1 ZINC000164297488 640470522 /nfs/dbraw/zinc/47/05/22/640470522.db2.gz XVNRRXISIQAHQG-LLVKDONJSA-N 0 0 239.318 3.568 10 0 BHAERN CC(=O)c1ccc(C)c(Cl)c1Cl ZINC000164297490 345778322 /nfs/dbraw/zinc/77/83/22/345778322.db2.gz CNMSVJDGTNKCBA-UHFFFAOYSA-N 0 0 203.068 3.504 10 0 BHAERN Cc1ccc(-c2ccc3c(c2)CCCO3)c(N)c1 ZINC000164297911 487816604 /nfs/dbraw/zinc/81/66/04/487816604.db2.gz LOONINCWJCSWLO-UHFFFAOYSA-N 0 0 239.318 3.569 10 0 BHAERN CC(C)CC(=O)c1cc(F)ccc1Cl ZINC000164388557 346603264 /nfs/dbraw/zinc/60/32/64/346603264.db2.gz XFGZVAZMDSEHBX-UHFFFAOYSA-N 0 0 214.667 3.708 10 0 BHAERN O=C(CC(F)(F)F)c1cc(F)ccc1Cl ZINC000164389196 346602967 /nfs/dbraw/zinc/60/29/67/346602967.db2.gz QZGOAUTYYIOSFM-UHFFFAOYSA-N 0 0 240.583 3.614 10 0 BHAERN CC[C@@H](C)C(=O)c1cc(F)ccc1Cl ZINC000164390258 346603231 /nfs/dbraw/zinc/60/32/31/346603231.db2.gz ZMGWYWMVFSDQHL-SSDOTTSWSA-N 0 0 214.667 3.708 10 0 BHAERN CC[C@H](C)C(=O)c1cc(F)ccc1Cl ZINC000164390372 346603015 /nfs/dbraw/zinc/60/30/15/346603015.db2.gz ZMGWYWMVFSDQHL-ZETCQYMHSA-N 0 0 214.667 3.708 10 0 BHAERN CCCCC(=O)c1cc(F)ccc1Cl ZINC000164395328 372146891 /nfs/dbraw/zinc/14/68/91/372146891.db2.gz LWZLVDIRTDCLHK-UHFFFAOYSA-N 0 0 214.667 3.852 10 0 BHAERN CCC(=CC(=O)N[C@@H](C)c1ccccc1C)CC ZINC000164398398 640475267 /nfs/dbraw/zinc/47/52/67/640475267.db2.gz FXDRDSBFOVNSAQ-ZDUSSCGKSA-N 0 0 245.366 3.919 10 0 BHAERN CCC(=CC(=O)N[C@H](C)c1ccccc1C)CC ZINC000164398520 640474009 /nfs/dbraw/zinc/47/40/09/640474009.db2.gz FXDRDSBFOVNSAQ-CYBMUJFWSA-N 0 0 245.366 3.919 10 0 BHAERN CC(=O)CC(C)(C)c1cc(F)ccc1Cl ZINC000164494746 346607673 /nfs/dbraw/zinc/60/76/73/346607673.db2.gz CWIQVVWJZWERTH-UHFFFAOYSA-N 0 0 228.694 3.736 10 0 BHAERN C[C@@H]1CCCC[C@@H]1c1cc(Cl)n2nccc2n1 ZINC000164510161 345785242 /nfs/dbraw/zinc/78/52/42/345785242.db2.gz DEYXKVQVYWPGDD-ZJUUUORDSA-N 0 0 249.745 3.676 10 0 BHAERN C[C@H]1CCCC[C@@H]1c1cc(Cl)n2nccc2n1 ZINC000164510276 345785088 /nfs/dbraw/zinc/78/50/88/345785088.db2.gz DEYXKVQVYWPGDD-UWVGGRQHSA-N 0 0 249.745 3.676 10 0 BHAERN C[C@@H]1CCCC[C@H]1c1cc(Cl)n2nccc2n1 ZINC000164510396 343543266 /nfs/dbraw/zinc/54/32/66/343543266.db2.gz DEYXKVQVYWPGDD-NXEZZACHSA-N 0 0 249.745 3.676 10 0 BHAERN C[C@H]1CCCC[C@H]1c1cc(Cl)n2nccc2n1 ZINC000164510523 343543427 /nfs/dbraw/zinc/54/34/27/343543427.db2.gz DEYXKVQVYWPGDD-VHSXEESVSA-N 0 0 249.745 3.676 10 0 BHAERN CC1=Nc2c(cccc2Br)C1(C)C ZINC000164513964 353066231 /nfs/dbraw/zinc/06/62/31/353066231.db2.gz XOJIBYMUAAIIGI-UHFFFAOYSA-N 0 0 238.128 3.833 10 0 BHAERN Fc1c(Cl)cccc1-c1nccc(Cl)n1 ZINC000164554484 346609455 /nfs/dbraw/zinc/60/94/55/346609455.db2.gz ZEWGLYWDAOPMHP-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Oc1ccc(CCOCC2CCCCC2)cc1 ZINC000164642466 345785764 /nfs/dbraw/zinc/78/57/64/345785764.db2.gz JEACDNVBVGAVFS-UHFFFAOYSA-N 0 0 234.339 3.532 10 0 BHAERN OCCc1cc2cc(-c3ccccc3)ccc2o1 ZINC000164656514 345785742 /nfs/dbraw/zinc/78/57/42/345785742.db2.gz FCAKYGWDECEWGZ-UHFFFAOYSA-N 0 0 238.286 3.635 10 0 BHAERN Cc1csc(Cc2ccccc2Cl)n1 ZINC000164682524 346616830 /nfs/dbraw/zinc/61/68/30/346616830.db2.gz UKJNMNLWCZPFND-UHFFFAOYSA-N 0 0 223.728 3.696 10 0 BHAERN Cc1csc(-c2ccc(F)cc2Cl)n1 ZINC000164682783 346616964 /nfs/dbraw/zinc/61/69/64/346616964.db2.gz CUDXFTLQBLGUKG-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN Cc1csc(-c2cc(C)cc(F)c2)n1 ZINC000164689936 346617472 /nfs/dbraw/zinc/61/74/72/346617472.db2.gz WCNUKLXHPVUESG-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN Cc1csc(-c2ccc(C)c(F)c2)n1 ZINC000164691084 346617429 /nfs/dbraw/zinc/61/74/29/346617429.db2.gz SLOZQOOXGQCMNQ-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN Cc1csc(-c2cc(Cl)ccc2F)n1 ZINC000164692669 346617461 /nfs/dbraw/zinc/61/74/61/346617461.db2.gz MACZJFQTRFEXRK-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN Cc1csc(-c2ccc(Cl)cc2F)n1 ZINC000164693066 346617480 /nfs/dbraw/zinc/61/74/80/346617480.db2.gz LWTXGHBYTATTMH-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN Fc1ccc(Cc2nccs2)c(Cl)c1 ZINC000164694356 346618168 /nfs/dbraw/zinc/61/81/68/346618168.db2.gz LKXBHAJMIDCNTF-UHFFFAOYSA-N 0 0 227.691 3.526 10 0 BHAERN Fc1cccc(Cl)c1Cc1nccs1 ZINC000164698235 346618122 /nfs/dbraw/zinc/61/81/22/346618122.db2.gz NCIQYMMNZOGDGH-UHFFFAOYSA-N 0 0 227.691 3.526 10 0 BHAERN CC(C)(C)c1csc(-c2cncs2)n1 ZINC000164703220 346618308 /nfs/dbraw/zinc/61/83/08/346618308.db2.gz FWOMDTXAOKRKCA-UHFFFAOYSA-N 0 0 224.354 3.564 10 0 BHAERN Cc1cc(C(=O)[C@]2(C)CCCS2)sc1C ZINC000164703403 346618405 /nfs/dbraw/zinc/61/84/05/346618405.db2.gz YWQYYINUXJCHPW-LBPRGKRZSA-N 0 0 240.393 3.833 10 0 BHAERN Cc1cc(C(=O)[C@@]2(C)CCCS2)sc1C ZINC000164703519 346618098 /nfs/dbraw/zinc/61/80/98/346618098.db2.gz YWQYYINUXJCHPW-GFCCVEGCSA-N 0 0 240.393 3.833 10 0 BHAERN CC(C)(C)c1csc(-c2cscn2)n1 ZINC000164704123 342794054 /nfs/dbraw/zinc/79/40/54/342794054.db2.gz RXQWKWRDGWPWFQ-UHFFFAOYSA-N 0 0 224.354 3.564 10 0 BHAERN CC(C)c1csc([C@@H]2CSCCS2)n1 ZINC000164705243 346618999 /nfs/dbraw/zinc/61/89/99/346618999.db2.gz GJAIEUYWHXECNT-VIFPVBQESA-N 0 0 245.438 3.788 10 0 BHAERN CC(C)c1csc([C@H]2CSCCS2)n1 ZINC000164705368 346618750 /nfs/dbraw/zinc/61/87/50/346618750.db2.gz GJAIEUYWHXECNT-SECBINFHSA-N 0 0 245.438 3.788 10 0 BHAERN C[C@]1(C(=O)c2sccc2Cl)CCCS1 ZINC000164706076 346618756 /nfs/dbraw/zinc/61/87/56/346618756.db2.gz LBYCBYMRVFHZMZ-SNVBAGLBSA-N 0 0 246.784 3.870 10 0 BHAERN C[C@@]1(C(=O)c2sccc2Cl)CCCS1 ZINC000164706178 346619033 /nfs/dbraw/zinc/61/90/33/346619033.db2.gz LBYCBYMRVFHZMZ-JTQLQIEISA-N 0 0 246.784 3.870 10 0 BHAERN CC(C)c1csc([C@@H]2CCCS2)n1 ZINC000164706772 346618830 /nfs/dbraw/zinc/61/88/30/346618830.db2.gz DUVTXXINPRFPDT-VIFPVBQESA-N 0 0 213.371 3.835 10 0 BHAERN CC(C)c1csc([C@H]2CCCS2)n1 ZINC000164706821 346618840 /nfs/dbraw/zinc/61/88/40/346618840.db2.gz DUVTXXINPRFPDT-SECBINFHSA-N 0 0 213.371 3.835 10 0 BHAERN C[C@]1(C(=O)c2cccc(Cl)c2)CCCS1 ZINC000164709780 346618777 /nfs/dbraw/zinc/61/87/77/346618777.db2.gz RCWLLMUXONUIJB-GFCCVEGCSA-N 0 0 240.755 3.808 10 0 BHAERN C[C@@]1(C(=O)c2cccc(Cl)c2)CCCS1 ZINC000164709892 346618752 /nfs/dbraw/zinc/61/87/52/346618752.db2.gz RCWLLMUXONUIJB-LBPRGKRZSA-N 0 0 240.755 3.808 10 0 BHAERN c1sc([C@@H]2CSCCS2)nc1C1CC1 ZINC000164711328 346619523 /nfs/dbraw/zinc/61/95/23/346619523.db2.gz LXHOSZVNBPLBCW-VIFPVBQESA-N 0 0 243.422 3.542 10 0 BHAERN c1sc([C@H]2CSCCS2)nc1C1CC1 ZINC000164711452 346619557 /nfs/dbraw/zinc/61/95/57/346619557.db2.gz LXHOSZVNBPLBCW-SECBINFHSA-N 0 0 243.422 3.542 10 0 BHAERN c1sc([C@@H]2CCCS2)nc1C1CC1 ZINC000164712884 346619631 /nfs/dbraw/zinc/61/96/31/346619631.db2.gz FIIHAYXXHWXBNU-VIFPVBQESA-N 0 0 211.355 3.589 10 0 BHAERN c1sc([C@H]2CCCS2)nc1C1CC1 ZINC000164713004 342807257 /nfs/dbraw/zinc/80/72/57/342807257.db2.gz FIIHAYXXHWXBNU-SECBINFHSA-N 0 0 211.355 3.589 10 0 BHAERN c1sc([C@@H]2CCCCS2)nc1C1CC1 ZINC000164716171 346619427 /nfs/dbraw/zinc/61/94/27/346619427.db2.gz FGHQUFKCBKXFDP-JTQLQIEISA-N 0 0 225.382 3.979 10 0 BHAERN c1sc([C@H]2CCCCS2)nc1C1CC1 ZINC000164716288 346619534 /nfs/dbraw/zinc/61/95/34/346619534.db2.gz FGHQUFKCBKXFDP-SNVBAGLBSA-N 0 0 225.382 3.979 10 0 BHAERN CCc1ccc(C(=O)[C@]2(C)CCCS2)s1 ZINC000164716639 346619449 /nfs/dbraw/zinc/61/94/49/346619449.db2.gz AEPHLMXOCDRLGI-LBPRGKRZSA-N 0 0 240.393 3.779 10 0 BHAERN CCc1ccc(C(=O)[C@@]2(C)CCCS2)s1 ZINC000164716770 346619467 /nfs/dbraw/zinc/61/94/67/346619467.db2.gz AEPHLMXOCDRLGI-GFCCVEGCSA-N 0 0 240.393 3.779 10 0 BHAERN CCc1csc(-c2cscc2C)n1 ZINC000164719669 346620151 /nfs/dbraw/zinc/62/01/51/346620151.db2.gz FFDODAZSPPWUTJ-UHFFFAOYSA-N 0 0 209.339 3.742 10 0 BHAERN CCc1csc(C2CCC(C)CC2)n1 ZINC000164720416 346620398 /nfs/dbraw/zinc/62/03/98/346620398.db2.gz LERFQBFPKKRUEJ-UHFFFAOYSA-N 0 0 209.358 3.999 10 0 BHAERN Cc1ccsc1C(=O)[C@]1(C)CCCS1 ZINC000164720482 346620444 /nfs/dbraw/zinc/62/04/44/346620444.db2.gz NZBVFGCHJLNSSL-NSHDSACASA-N 0 0 226.366 3.525 10 0 BHAERN Cc1ccsc1C(=O)[C@@]1(C)CCCS1 ZINC000164720571 346620416 /nfs/dbraw/zinc/62/04/16/346620416.db2.gz NZBVFGCHJLNSSL-LLVKDONJSA-N 0 0 226.366 3.525 10 0 BHAERN CCc1csc([C@H]2SCCS[C@H]2C)n1 ZINC000164724546 346620448 /nfs/dbraw/zinc/62/04/48/346620448.db2.gz BVAGHJJSSWHVQP-CBAPKCEASA-N 0 0 245.438 3.615 10 0 BHAERN CCc1csc([C@@H]2SCCS[C@H]2C)n1 ZINC000164724621 346620274 /nfs/dbraw/zinc/62/02/74/346620274.db2.gz BVAGHJJSSWHVQP-IONNQARKSA-N 0 0 245.438 3.615 10 0 BHAERN CCc1csc([C@H]2SCCS[C@@H]2C)n1 ZINC000164724723 346620253 /nfs/dbraw/zinc/62/02/53/346620253.db2.gz BVAGHJJSSWHVQP-APPZFPTMSA-N 0 0 245.438 3.615 10 0 BHAERN CCc1csc([C@@H]2SCCS[C@@H]2C)n1 ZINC000164724832 346620313 /nfs/dbraw/zinc/62/03/13/346620313.db2.gz BVAGHJJSSWHVQP-VXNVDRBHSA-N 0 0 245.438 3.615 10 0 BHAERN CCc1csc([C@@H]2CCCCS2)n1 ZINC000164727320 342815404 /nfs/dbraw/zinc/81/54/04/342815404.db2.gz FLIMKTPWUPEQPR-VIFPVBQESA-N 0 0 213.371 3.664 10 0 BHAERN CCc1csc([C@H]2CCCCS2)n1 ZINC000164727450 346621114 /nfs/dbraw/zinc/62/11/14/346621114.db2.gz FLIMKTPWUPEQPR-SECBINFHSA-N 0 0 213.371 3.664 10 0 BHAERN C[C@]1(C(=O)c2ccccc2Cl)CCCS1 ZINC000164727778 346621041 /nfs/dbraw/zinc/62/10/41/346621041.db2.gz HRGXEIFJVOVBRV-GFCCVEGCSA-N 0 0 240.755 3.808 10 0 BHAERN C[C@@]1(C(=O)c2ccccc2Cl)CCCS1 ZINC000164727907 346620767 /nfs/dbraw/zinc/62/07/67/346620767.db2.gz HRGXEIFJVOVBRV-LBPRGKRZSA-N 0 0 240.755 3.808 10 0 BHAERN CCc1csc([C@@H]2CCC[C@H](C)C2)n1 ZINC000164727961 346621154 /nfs/dbraw/zinc/62/11/54/346621154.db2.gz NAAMGDVPAAUJHB-VHSXEESVSA-N 0 0 209.358 3.999 10 0 BHAERN CCc1csc([C@H]2CCC[C@H](C)C2)n1 ZINC000164728085 346620981 /nfs/dbraw/zinc/62/09/81/346620981.db2.gz NAAMGDVPAAUJHB-UWVGGRQHSA-N 0 0 209.358 3.999 10 0 BHAERN CCc1csc([C@@H]2CCC[C@@H](C)C2)n1 ZINC000164728196 346620848 /nfs/dbraw/zinc/62/08/48/346620848.db2.gz NAAMGDVPAAUJHB-NXEZZACHSA-N 0 0 209.358 3.999 10 0 BHAERN CCc1csc([C@H]2CCC[C@@H](C)C2)n1 ZINC000164728298 346620986 /nfs/dbraw/zinc/62/09/86/346620986.db2.gz NAAMGDVPAAUJHB-ZJUUUORDSA-N 0 0 209.358 3.999 10 0 BHAERN CCCc1csc([C@@H]2CSCCS2)n1 ZINC000164729697 346621111 /nfs/dbraw/zinc/62/11/11/346621111.db2.gz LGXPTMLJPLFOPV-VIFPVBQESA-N 0 0 245.438 3.617 10 0 BHAERN CCCc1csc([C@H]2CSCCS2)n1 ZINC000164729810 346621139 /nfs/dbraw/zinc/62/11/39/346621139.db2.gz LGXPTMLJPLFOPV-SECBINFHSA-N 0 0 245.438 3.617 10 0 BHAERN CCCc1csc([C@@H]2CCCS2)n1 ZINC000164731313 346620772 /nfs/dbraw/zinc/62/07/72/346620772.db2.gz ASJPCIPJMJQMPA-VIFPVBQESA-N 0 0 213.371 3.664 10 0 BHAERN CCCc1csc([C@H]2CCCS2)n1 ZINC000164731440 346620952 /nfs/dbraw/zinc/62/09/52/346620952.db2.gz ASJPCIPJMJQMPA-SECBINFHSA-N 0 0 213.371 3.664 10 0 BHAERN Cc1cnc(-c2ccc(C)cc2F)s1 ZINC000164736635 346621405 /nfs/dbraw/zinc/62/14/05/346621405.db2.gz IRMCVGZMMQFFOB-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN Cc1cnc(-c2c(F)cccc2Cl)s1 ZINC000164736896 346621769 /nfs/dbraw/zinc/62/17/69/346621769.db2.gz QXFNEVBLTCHZRL-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN Cc1cnc(-c2cc(C)cc(F)c2)s1 ZINC000164737740 346621330 /nfs/dbraw/zinc/62/13/30/346621330.db2.gz VZMUUGHXLXTRBA-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN C[C@]1(C(=O)C2CCCCCC2)CCCS1 ZINC000164738265 346621419 /nfs/dbraw/zinc/62/14/19/346621419.db2.gz ICILSGLLEHIJOW-CYBMUJFWSA-N 0 0 226.385 3.812 10 0 BHAERN C[C@@]1(C(=O)C2CCCCCC2)CCCS1 ZINC000164738372 346621649 /nfs/dbraw/zinc/62/16/49/346621649.db2.gz ICILSGLLEHIJOW-ZDUSSCGKSA-N 0 0 226.385 3.812 10 0 BHAERN Cc1cnc(-c2cccc(Cl)c2F)s1 ZINC000164739133 346621889 /nfs/dbraw/zinc/62/18/89/346621889.db2.gz KXCUEMHPRIDAPW-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN Cc1cnc(-c2ccc(F)cc2Cl)s1 ZINC000164739257 346621883 /nfs/dbraw/zinc/62/18/83/346621883.db2.gz YSLAZFDAVOMUHP-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN CC[C@H]1SCCS[C@H]1c1ncc(C)s1 ZINC000164741421 346622437 /nfs/dbraw/zinc/62/24/37/346622437.db2.gz VFTKVGVHLIDWFO-RKDXNWHRSA-N 0 0 245.438 3.751 10 0 BHAERN CC[C@@H]1SCCS[C@H]1c1ncc(C)s1 ZINC000164741544 346622356 /nfs/dbraw/zinc/62/23/56/346622356.db2.gz VFTKVGVHLIDWFO-DTWKUNHWSA-N 0 0 245.438 3.751 10 0 BHAERN CC[C@H]1SCCS[C@@H]1c1ncc(C)s1 ZINC000164741670 346622368 /nfs/dbraw/zinc/62/23/68/346622368.db2.gz VFTKVGVHLIDWFO-BDAKNGLRSA-N 0 0 245.438 3.751 10 0 BHAERN COc1c2ccsc2ccc1Br ZINC000164741761 174918704 /nfs/dbraw/zinc/91/87/04/174918704.db2.gz YBBKTSHSBBWJQF-UHFFFAOYSA-N 0 0 243.125 3.672 10 0 BHAERN CC[C@@H]1SCCS[C@@H]1c1ncc(C)s1 ZINC000164741804 346622414 /nfs/dbraw/zinc/62/24/14/346622414.db2.gz VFTKVGVHLIDWFO-IUCAKERBSA-N 0 0 245.438 3.751 10 0 BHAERN Cc1cnc(Cc2cccc(Cl)c2)s1 ZINC000164742184 346622241 /nfs/dbraw/zinc/62/22/41/346622241.db2.gz OWSSRWJYDHNEHA-UHFFFAOYSA-N 0 0 223.728 3.696 10 0 BHAERN C[C@]1(C(=O)c2ccc(Cl)cc2)CCCS1 ZINC000164748912 346622735 /nfs/dbraw/zinc/62/27/35/346622735.db2.gz FZKUWTFJDBMMND-GFCCVEGCSA-N 0 0 240.755 3.808 10 0 BHAERN C[C@@]1(C(=O)c2ccc(Cl)cc2)CCCS1 ZINC000164749017 346623028 /nfs/dbraw/zinc/62/30/28/346623028.db2.gz FZKUWTFJDBMMND-LBPRGKRZSA-N 0 0 240.755 3.808 10 0 BHAERN Cc1cnc(-c2cc(Cl)ccc2F)s1 ZINC000164751253 346623052 /nfs/dbraw/zinc/62/30/52/346623052.db2.gz ZASYCTZEAZBBDR-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN Cc1cnc(-c2ccc(F)c(Cl)c2)s1 ZINC000164751380 346622797 /nfs/dbraw/zinc/62/27/97/346622797.db2.gz CMELFOJIGJGKIH-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN Cc1cnc(-c2ccc(F)cc2C)s1 ZINC000164752514 346622808 /nfs/dbraw/zinc/62/28/08/346622808.db2.gz HHXHCSVIBOZSRM-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN Cc1cnc(-c2ccc(Cl)cc2F)s1 ZINC000164754113 346622918 /nfs/dbraw/zinc/62/29/18/346622918.db2.gz RJAJQYVZYXOZAG-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN Cc1cnc(-c2ccc(C)c(F)c2)s1 ZINC000164755345 346623594 /nfs/dbraw/zinc/62/35/94/346623594.db2.gz VBRIDLDXKCBFRJ-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN Cc1cnc(-c2ccc(F)c(C)c2)s1 ZINC000164755475 346623666 /nfs/dbraw/zinc/62/36/66/346623666.db2.gz WYUTUSPBKDUICB-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN Cc1cnc(-c2ncc(Cl)cc2Cl)s1 ZINC000164755865 342823542 /nfs/dbraw/zinc/82/35/42/342823542.db2.gz ZGECOQNCUHKNDS-UHFFFAOYSA-N 0 0 245.134 3.820 10 0 BHAERN Cc1cnc(Cc2ccccc2Cl)s1 ZINC000164755998 346623487 /nfs/dbraw/zinc/62/34/87/346623487.db2.gz KODGTNZHPQCRJN-UHFFFAOYSA-N 0 0 223.728 3.696 10 0 BHAERN Cc1cnc(-c2cc(F)ccc2C)s1 ZINC000164756595 346623455 /nfs/dbraw/zinc/62/34/55/346623455.db2.gz MHVYTVBASXJGPR-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN CCc1cnc(-c2cscc2C)s1 ZINC000164763598 346624262 /nfs/dbraw/zinc/62/42/62/346624262.db2.gz MIWIRZZQWNQSMZ-UHFFFAOYSA-N 0 0 209.339 3.742 10 0 BHAERN CCc1cnc(-c2cccc(C)c2)s1 ZINC000164764486 346624324 /nfs/dbraw/zinc/62/43/24/346624324.db2.gz QFHWNPUOHOLZAE-UHFFFAOYSA-N 0 0 203.310 3.681 10 0 BHAERN CCc1cnc(C2CCC(C)CC2)s1 ZINC000164764840 346624232 /nfs/dbraw/zinc/62/42/32/346624232.db2.gz VTYJCSNHGUXKPV-UHFFFAOYSA-N 0 0 209.358 3.999 10 0 BHAERN CCc1cnc(-c2ccccc2F)s1 ZINC000164766311 346624326 /nfs/dbraw/zinc/62/43/26/346624326.db2.gz XDAVQYHPAYCPLA-UHFFFAOYSA-N 0 0 207.273 3.512 10 0 BHAERN CCc1cnc(-c2ccc(F)cc2)s1 ZINC000164773595 346625035 /nfs/dbraw/zinc/62/50/35/346625035.db2.gz XZIVOPUBLJTOGT-UHFFFAOYSA-N 0 0 207.273 3.512 10 0 BHAERN CCc1cnc([C@@H]2CCCCS2)s1 ZINC000164774574 346624789 /nfs/dbraw/zinc/62/47/89/346624789.db2.gz WOVXSQSZUNSXIK-VIFPVBQESA-N 0 0 213.371 3.664 10 0 BHAERN CCc1cnc([C@H]2CCCCS2)s1 ZINC000164774676 346624710 /nfs/dbraw/zinc/62/47/10/346624710.db2.gz WOVXSQSZUNSXIK-SECBINFHSA-N 0 0 213.371 3.664 10 0 BHAERN CC(C)c1cnc([C@@H]2CSCCS2)s1 ZINC000164778411 346624907 /nfs/dbraw/zinc/62/49/07/346624907.db2.gz HXYMQTOYSRQPNX-VIFPVBQESA-N 0 0 245.438 3.788 10 0 BHAERN CC(C)c1cnc([C@H]2CSCCS2)s1 ZINC000164778492 346624894 /nfs/dbraw/zinc/62/48/94/346624894.db2.gz HXYMQTOYSRQPNX-SECBINFHSA-N 0 0 245.438 3.788 10 0 BHAERN CC(C)c1cnc(Cc2cccs2)s1 ZINC000164783447 346625543 /nfs/dbraw/zinc/62/55/43/346625543.db2.gz LYUKKXUJQSMNPM-UHFFFAOYSA-N 0 0 223.366 3.919 10 0 BHAERN CC[C@@H](C)c1csc(-c2cncs2)n1 ZINC000164790049 346626051 /nfs/dbraw/zinc/62/60/51/346626051.db2.gz HQHBBWPBLLSZJP-SSDOTTSWSA-N 0 0 224.354 3.780 10 0 BHAERN CC[C@H](C)c1csc(-c2cncs2)n1 ZINC000164790166 346625957 /nfs/dbraw/zinc/62/59/57/346625957.db2.gz HQHBBWPBLLSZJP-ZETCQYMHSA-N 0 0 224.354 3.780 10 0 BHAERN CC[C@@H](C)c1csc(-c2cscn2)n1 ZINC000164792667 346626087 /nfs/dbraw/zinc/62/60/87/346626087.db2.gz QGGWEXHUNKFQGX-SSDOTTSWSA-N 0 0 224.354 3.780 10 0 BHAERN CC[C@H](C)c1csc(-c2cscn2)n1 ZINC000164792781 346626076 /nfs/dbraw/zinc/62/60/76/346626076.db2.gz QGGWEXHUNKFQGX-ZETCQYMHSA-N 0 0 224.354 3.780 10 0 BHAERN CC1=CCCc2cc(OC(C)C)ccc21 ZINC000164844913 342881494 /nfs/dbraw/zinc/88/14/94/342881494.db2.gz ORBMWMRTCKBUNN-UHFFFAOYSA-N 0 0 202.297 3.823 10 0 BHAERN CCOc1ccc(N[C@@H](C)c2cncs2)cc1 ZINC000164898975 385052712 /nfs/dbraw/zinc/05/27/12/385052712.db2.gz UOBQZBLKQPHUHD-JTQLQIEISA-N 0 0 248.351 3.715 10 0 BHAERN CCOc1ccc(N[C@H](C)c2cncs2)cc1 ZINC000164899098 385052757 /nfs/dbraw/zinc/05/27/57/385052757.db2.gz UOBQZBLKQPHUHD-SNVBAGLBSA-N 0 0 248.351 3.715 10 0 BHAERN Clc1csc(OC2CCCCC2)n1 ZINC000164914076 342857236 /nfs/dbraw/zinc/85/72/36/342857236.db2.gz KQHRTKQVQZCEJX-UHFFFAOYSA-N 0 0 217.721 3.508 10 0 BHAERN C[C@H](Oc1nc(Cl)cs1)c1ccccc1 ZINC000164916911 342857186 /nfs/dbraw/zinc/85/71/86/342857186.db2.gz SOWMIHSBHFUUKI-QMMMGPOBSA-N 0 0 239.727 3.937 10 0 BHAERN C[C@@H](Oc1nc(Cl)cs1)c1ccccc1 ZINC000164917039 342857180 /nfs/dbraw/zinc/85/71/80/342857180.db2.gz SOWMIHSBHFUUKI-MRVPVSSYSA-N 0 0 239.727 3.937 10 0 BHAERN Cc1ccc(Oc2nc(Cl)cs2)cc1 ZINC000164925979 346633753 /nfs/dbraw/zinc/63/37/53/346633753.db2.gz HVOXPMRHYLDUTN-UHFFFAOYSA-N 0 0 225.700 3.897 10 0 BHAERN Fc1ccccc1Oc1nc(Cl)cs1 ZINC000164929251 342857831 /nfs/dbraw/zinc/85/78/31/342857831.db2.gz FORIHXIQIUAJSS-UHFFFAOYSA-N 0 0 229.663 3.728 10 0 BHAERN Cc1ccccc1Oc1nc(Cl)cs1 ZINC000164930439 342857755 /nfs/dbraw/zinc/85/77/55/342857755.db2.gz MKEFXLHLFUYQHD-UHFFFAOYSA-N 0 0 225.700 3.897 10 0 BHAERN Fc1ccc(Oc2nc(Cl)cs2)cc1 ZINC000164930554 346633649 /nfs/dbraw/zinc/63/36/49/346633649.db2.gz LEFJXBOJTVRSQT-UHFFFAOYSA-N 0 0 229.663 3.728 10 0 BHAERN Clc1csc(Oc2ccccc2)n1 ZINC000164930667 342857791 /nfs/dbraw/zinc/85/77/91/342857791.db2.gz ULBHFSUWIFTONN-UHFFFAOYSA-N 0 0 211.673 3.589 10 0 BHAERN COc1ccccc1Oc1nc(Cl)cs1 ZINC000164931328 342857730 /nfs/dbraw/zinc/85/77/30/342857730.db2.gz RDGHTOZXYYCSDQ-UHFFFAOYSA-N 0 0 241.699 3.597 10 0 BHAERN Fc1cccc(Oc2nc(Cl)cs2)c1 ZINC000164931451 346633605 /nfs/dbraw/zinc/63/36/05/346633605.db2.gz OSJVCUKTIZHPAW-UHFFFAOYSA-N 0 0 229.663 3.728 10 0 BHAERN COc1ccc(Oc2nc(Cl)cs2)cc1 ZINC000164931700 342858983 /nfs/dbraw/zinc/85/89/83/342858983.db2.gz OMNAQEFMGHNHPR-UHFFFAOYSA-N 0 0 241.699 3.597 10 0 BHAERN CCOC(=O)/C(C)=C/c1ccc(C(C)C)cc1 ZINC000164932058 343208298 /nfs/dbraw/zinc/20/82/98/343208298.db2.gz NNHWGMZJFSXWRZ-ZRDIBKRKSA-N 0 0 232.323 3.776 10 0 BHAERN Fc1ccc(Oc2nc(Cl)cs2)cc1F ZINC000164936117 342859240 /nfs/dbraw/zinc/85/92/40/342859240.db2.gz MXUKTCUYSAHBJI-UHFFFAOYSA-N 0 0 247.653 3.867 10 0 BHAERN Cc1ccc(C=O)cc1-c1ccsc1 ZINC000164937938 342859360 /nfs/dbraw/zinc/85/93/60/342859360.db2.gz HKNAGBGOIGTSLM-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN Cc1ccc(-c2cc(C=O)ccc2C)s1 ZINC000164938454 342859220 /nfs/dbraw/zinc/85/92/20/342859220.db2.gz PPLBLDIYNHKTJB-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN Fc1cc(F)cc(Oc2nc(Cl)cs2)c1 ZINC000164943545 342860599 /nfs/dbraw/zinc/86/05/99/342860599.db2.gz CWNIWQKHFKTVSM-UHFFFAOYSA-N 0 0 247.653 3.867 10 0 BHAERN Fc1cccc(Oc2nc(Cl)cs2)c1F ZINC000164943659 346634253 /nfs/dbraw/zinc/63/42/53/346634253.db2.gz GOZYADLEPGOWID-UHFFFAOYSA-N 0 0 247.653 3.867 10 0 BHAERN Fc1ccc(F)c(Oc2nc(Cl)cs2)c1 ZINC000164943930 342860516 /nfs/dbraw/zinc/86/05/16/342860516.db2.gz UWMSUIQOCDYOPL-UHFFFAOYSA-N 0 0 247.653 3.867 10 0 BHAERN Clc1csc(Oc2cncc(Cl)c2)n1 ZINC000164947016 346634373 /nfs/dbraw/zinc/63/43/73/346634373.db2.gz UGJXXXFYIRHLCA-UHFFFAOYSA-N 0 0 247.106 3.637 10 0 BHAERN CCOC(=O)/C(C)=C/c1ccc2ccccc2c1 ZINC000164948200 346634352 /nfs/dbraw/zinc/63/43/52/346634352.db2.gz QBRAXCSDXPXDLB-ZRDIBKRKSA-N 0 0 240.302 3.806 10 0 BHAERN CCc1ccc2c(c1)C(C)(C)CCC2=O ZINC000164952900 640521698 /nfs/dbraw/zinc/52/16/98/640521698.db2.gz UQFLLUCPYQYCHN-UHFFFAOYSA-N 0 0 202.297 3.503 10 0 BHAERN Fc1ccc(CNc2nc(Cl)cs2)cc1 ZINC000164973962 342861304 /nfs/dbraw/zinc/86/13/04/342861304.db2.gz BTXCIPMUNMCIGI-UHFFFAOYSA-N 0 0 242.706 3.548 10 0 BHAERN Clc1csc(NCCc2cccs2)n1 ZINC000164974816 342861298 /nfs/dbraw/zinc/86/12/98/342861298.db2.gz CSCHHUSPSPDENV-UHFFFAOYSA-N 0 0 244.772 3.513 10 0 BHAERN Cc1ccc(CNc2nc(Cl)cs2)cc1 ZINC000164975764 342861392 /nfs/dbraw/zinc/86/13/92/342861392.db2.gz ZEVBEEXWEZLNFG-UHFFFAOYSA-N 0 0 238.743 3.717 10 0 BHAERN C[C@@H]1CCC[C@H](Nc2nc(Cl)cs2)C1 ZINC000164978744 342861412 /nfs/dbraw/zinc/86/14/12/342861412.db2.gz UPLIRGBJDCJKKI-SFYZADRCSA-N 0 0 230.764 3.787 10 0 BHAERN C[C@H]1CCC[C@H](Nc2nc(Cl)cs2)C1 ZINC000164978839 342861462 /nfs/dbraw/zinc/86/14/62/342861462.db2.gz UPLIRGBJDCJKKI-YUMQZZPRSA-N 0 0 230.764 3.787 10 0 BHAERN C[C@@H]1CCC[C@@H](Nc2nc(Cl)cs2)C1 ZINC000164978899 342861341 /nfs/dbraw/zinc/86/13/41/342861341.db2.gz UPLIRGBJDCJKKI-HTQZYQBOSA-N 0 0 230.764 3.787 10 0 BHAERN C[C@H]1CCC[C@@H](Nc2nc(Cl)cs2)C1 ZINC000164978989 342861572 /nfs/dbraw/zinc/86/15/72/342861572.db2.gz UPLIRGBJDCJKKI-JGVFFNPUSA-N 0 0 230.764 3.787 10 0 BHAERN C[C@H](Nc1nc(Cl)cs1)c1ccco1 ZINC000164982316 342863068 /nfs/dbraw/zinc/86/30/68/342863068.db2.gz ZTOUZCTUJQVCQF-LURJTMIESA-N 0 0 228.704 3.563 10 0 BHAERN C[C@@H](Nc1nc(Cl)cs1)c1ccco1 ZINC000164982449 342863170 /nfs/dbraw/zinc/86/31/70/342863170.db2.gz ZTOUZCTUJQVCQF-ZCFIWIBFSA-N 0 0 228.704 3.563 10 0 BHAERN Cc1ccccc1CNc1nc(Cl)cs1 ZINC000164987007 342863067 /nfs/dbraw/zinc/86/30/67/342863067.db2.gz PKMWOJBLQJCCNE-UHFFFAOYSA-N 0 0 238.743 3.717 10 0 BHAERN Cc1cccc(CNc2nc(Cl)cs2)c1 ZINC000164987138 342863122 /nfs/dbraw/zinc/86/31/22/342863122.db2.gz JXVMLPCTLGTFJU-UHFFFAOYSA-N 0 0 238.743 3.717 10 0 BHAERN Cc1cc2c(ccnc2N[C@@H](C)C(C)C)o1 ZINC000164991324 398001585 /nfs/dbraw/zinc/00/15/85/398001585.db2.gz WFKOKWBIAFVHRG-JTQLQIEISA-N 0 0 218.300 3.593 10 0 BHAERN Cc1cc2c(ccnc2N[C@H](C)C(C)C)o1 ZINC000164991473 398001465 /nfs/dbraw/zinc/00/14/65/398001465.db2.gz WFKOKWBIAFVHRG-SNVBAGLBSA-N 0 0 218.300 3.593 10 0 BHAERN Cc1ccc([C@@H](C)Nc2nc(Cl)cs2)o1 ZINC000164995662 342864603 /nfs/dbraw/zinc/86/46/03/342864603.db2.gz YNOVRLYIUDCSTG-SSDOTTSWSA-N 0 0 242.731 3.871 10 0 BHAERN Cc1ccc([C@H](C)Nc2nc(Cl)cs2)o1 ZINC000164995787 346635623 /nfs/dbraw/zinc/63/56/23/346635623.db2.gz YNOVRLYIUDCSTG-ZETCQYMHSA-N 0 0 242.731 3.871 10 0 BHAERN Clc1csc(NCCc2ccsc2)n1 ZINC000165004867 342866095 /nfs/dbraw/zinc/86/60/95/342866095.db2.gz LORMLVGIMHYBLC-UHFFFAOYSA-N 0 0 244.772 3.513 10 0 BHAERN CC1(C)CC(=O)c2sc3ccccc3c21 ZINC000165026476 342869813 /nfs/dbraw/zinc/86/98/13/342869813.db2.gz JERLUFZYRHZHLK-UHFFFAOYSA-N 0 0 216.305 3.765 10 0 BHAERN CC1(C)CCC[C@@H]1Nc1nc(Cl)cs1 ZINC000165068360 342873659 /nfs/dbraw/zinc/87/36/59/342873659.db2.gz UFGUAZJTXKCXBJ-ZETCQYMHSA-N 0 0 230.764 3.787 10 0 BHAERN CC1(C)CCC[C@H]1Nc1nc(Cl)cs1 ZINC000165068478 346637741 /nfs/dbraw/zinc/63/77/41/346637741.db2.gz UFGUAZJTXKCXBJ-SSDOTTSWSA-N 0 0 230.764 3.787 10 0 BHAERN O=C(CC1CCC1)c1cc(Cl)ccc1F ZINC000165090258 342874374 /nfs/dbraw/zinc/87/43/74/342874374.db2.gz UHXIJGHQGDHNQD-UHFFFAOYSA-N 0 0 226.678 3.852 10 0 BHAERN Cc1ccc(F)c(Nc2nc(Cl)cs2)c1 ZINC000165090742 342874472 /nfs/dbraw/zinc/87/44/72/342874472.db2.gz DUNSOVNEGMGSHX-UHFFFAOYSA-N 0 0 242.706 3.988 10 0 BHAERN Fc1cccc(F)c1Nc1nc(Cl)cs1 ZINC000165090873 342874529 /nfs/dbraw/zinc/87/45/29/342874529.db2.gz RBSSUBIIMZQSFO-UHFFFAOYSA-N 0 0 246.669 3.818 10 0 BHAERN Nc1ccc(Cl)cc1Oc1ccc(F)cc1 ZINC000165091741 384378229 /nfs/dbraw/zinc/37/82/29/384378229.db2.gz YKTYTEBUEPLEHW-UHFFFAOYSA-N 0 0 237.661 3.854 10 0 BHAERN Fc1ccc(Nc2nc(Cl)cs2)cc1F ZINC000165099867 342874722 /nfs/dbraw/zinc/87/47/22/342874722.db2.gz WMXLZJDMGHXHOH-UHFFFAOYSA-N 0 0 246.669 3.818 10 0 BHAERN Fc1cccc(Nc2nc(Cl)cs2)c1 ZINC000165100376 342874732 /nfs/dbraw/zinc/87/47/32/342874732.db2.gz UJQVWYBGDPYSHB-UHFFFAOYSA-N 0 0 228.679 3.679 10 0 BHAERN Fc1ccc(Nc2nc(Cl)cs2)cc1 ZINC000165101135 342874813 /nfs/dbraw/zinc/87/48/13/342874813.db2.gz IXGPAZLWJCOPAV-UHFFFAOYSA-N 0 0 228.679 3.679 10 0 BHAERN Fc1ccccc1Nc1nc(Cl)cs1 ZINC000165101384 342874723 /nfs/dbraw/zinc/87/47/23/342874723.db2.gz ITLCXZXAZXYAQN-UHFFFAOYSA-N 0 0 228.679 3.679 10 0 BHAERN CN(c1nc(Cl)cs1)C1CCCCC1 ZINC000165103466 342875270 /nfs/dbraw/zinc/87/52/70/342875270.db2.gz GLNBAMHSQZVOIY-UHFFFAOYSA-N 0 0 230.764 3.565 10 0 BHAERN CN(c1nc(Cl)cs1)c1ccccc1 ZINC000165105725 342875297 /nfs/dbraw/zinc/87/52/97/342875297.db2.gz FYHMSEYRFNDDPO-UHFFFAOYSA-N 0 0 224.716 3.564 10 0 BHAERN Fc1cccc(Nc2nc(Cl)cs2)c1F ZINC000165123738 342876125 /nfs/dbraw/zinc/87/61/25/342876125.db2.gz HPFSRWGAOLCZDA-UHFFFAOYSA-N 0 0 246.669 3.818 10 0 BHAERN CN(CC1CCCCC1)c1nc(Cl)cs1 ZINC000165134029 346642686 /nfs/dbraw/zinc/64/26/86/346642686.db2.gz JGONLMJIQCDNJI-UHFFFAOYSA-N 0 0 244.791 3.813 10 0 BHAERN CN(c1nc(Cl)cs1)c1ccccc1F ZINC000165167488 346644314 /nfs/dbraw/zinc/64/43/14/346644314.db2.gz ZAADYYLZTJNPAH-UHFFFAOYSA-N 0 0 242.706 3.704 10 0 BHAERN CN(c1nc(Cl)cs1)c1cccc(F)c1 ZINC000165167753 342879118 /nfs/dbraw/zinc/87/91/18/342879118.db2.gz OCKQPJLYZMLHSV-UHFFFAOYSA-N 0 0 242.706 3.704 10 0 BHAERN CC[C@@H]1CCCN(c2nc(Cl)cs2)CC1 ZINC000165198409 342881422 /nfs/dbraw/zinc/88/14/22/342881422.db2.gz JDSGFSCXAPFODG-SECBINFHSA-N 0 0 244.791 3.813 10 0 BHAERN CC[C@H]1CCCN(c2nc(Cl)cs2)CC1 ZINC000165198539 342881495 /nfs/dbraw/zinc/88/14/95/342881495.db2.gz JDSGFSCXAPFODG-VIFPVBQESA-N 0 0 244.791 3.813 10 0 BHAERN CC(C)CCCNc1ccc(N(C)C)cc1 ZINC000165203607 633087628 /nfs/dbraw/zinc/08/76/28/633087628.db2.gz LRPBPHHBBVSPOH-UHFFFAOYSA-N 0 0 220.360 3.601 10 0 BHAERN Clc1csc(Nc2ccsc2)n1 ZINC000165209155 346645572 /nfs/dbraw/zinc/64/55/72/346645572.db2.gz PUWQDOKFJMAQER-UHFFFAOYSA-N 0 0 216.718 3.602 10 0 BHAERN CCC[C@@H]1CCCCN1c1nc(Cl)cs1 ZINC000165231592 342888760 /nfs/dbraw/zinc/88/87/60/342888760.db2.gz FHSJMXAYRTUOGP-SECBINFHSA-N 0 0 244.791 3.956 10 0 BHAERN CCC[C@H]1CCCCN1c1nc(Cl)cs1 ZINC000165231710 346645492 /nfs/dbraw/zinc/64/54/92/346645492.db2.gz FHSJMXAYRTUOGP-VIFPVBQESA-N 0 0 244.791 3.956 10 0 BHAERN CC(C)CSc1nc(Cl)cs1 ZINC000165243936 342890407 /nfs/dbraw/zinc/89/04/07/342890407.db2.gz RIPVVKHSQWBDHZ-UHFFFAOYSA-N 0 0 207.751 3.545 10 0 BHAERN CC[C@@H](C)Sc1nc(Cl)cs1 ZINC000165245412 342889555 /nfs/dbraw/zinc/88/95/55/342889555.db2.gz CXPJAYFVVWLSJZ-RXMQYKEDSA-N 0 0 207.751 3.687 10 0 BHAERN CC[C@H](C)Sc1nc(Cl)cs1 ZINC000165245521 342889678 /nfs/dbraw/zinc/88/96/78/342889678.db2.gz CXPJAYFVVWLSJZ-YFKPBYRVSA-N 0 0 207.751 3.687 10 0 BHAERN CC(C)(C)Sc1nc(Cl)cs1 ZINC000165246034 342889569 /nfs/dbraw/zinc/88/95/69/342889569.db2.gz RTTDQNNNBYQQOZ-UHFFFAOYSA-N 0 0 207.751 3.687 10 0 BHAERN COC(=O)c1ccc(C2CCCCC2)cc1F ZINC000165253024 346646168 /nfs/dbraw/zinc/64/61/68/346646168.db2.gz AAVPZGDMKWAOCT-UHFFFAOYSA-N 0 0 236.286 3.660 10 0 BHAERN Cc1csc(Sc2nc(Cl)cs2)n1 ZINC000165254254 342892938 /nfs/dbraw/zinc/89/29/38/342892938.db2.gz OMGMXFNNWBLJDJ-UHFFFAOYSA-N 0 0 248.785 3.713 10 0 BHAERN O=C(Cc1ccccc1)c1cccc(F)c1Cl ZINC000165265459 342893448 /nfs/dbraw/zinc/89/34/48/342893448.db2.gz VWWOLRWIIQUQGJ-UHFFFAOYSA-N 0 0 248.684 3.905 10 0 BHAERN Clc1c(Br)cccc1NC1CC1 ZINC000165324354 342911000 /nfs/dbraw/zinc/91/10/00/342911000.db2.gz GIIWPBMCVQFCAS-UHFFFAOYSA-N 0 0 246.535 3.677 10 0 BHAERN C[C@@H]1C[C@@H]1C(=O)c1ccc(C(C)(C)C)s1 ZINC000165331583 346647858 /nfs/dbraw/zinc/64/78/58/346647858.db2.gz JJWUMCSGXYMYLV-BDAKNGLRSA-N 0 0 222.353 3.884 10 0 BHAERN C[C@H]1C[C@@H]1C(=O)c1ccc(C(C)(C)C)s1 ZINC000165331698 342914623 /nfs/dbraw/zinc/91/46/23/342914623.db2.gz JJWUMCSGXYMYLV-IUCAKERBSA-N 0 0 222.353 3.884 10 0 BHAERN C[C@@H]1C[C@H]1C(=O)c1ccc(C(C)(C)C)s1 ZINC000165331823 342914729 /nfs/dbraw/zinc/91/47/29/342914729.db2.gz JJWUMCSGXYMYLV-RKDXNWHRSA-N 0 0 222.353 3.884 10 0 BHAERN C[C@H]1C[C@H]1C(=O)c1ccc(C(C)(C)C)s1 ZINC000165331952 342914645 /nfs/dbraw/zinc/91/46/45/342914645.db2.gz JJWUMCSGXYMYLV-DTWKUNHWSA-N 0 0 222.353 3.884 10 0 BHAERN CCCCCCC(=O)c1ccc(C(=O)OC)cc1 ZINC000165334877 343555970 /nfs/dbraw/zinc/55/59/70/343555970.db2.gz OVKOHXANSNEQHD-UHFFFAOYSA-N 0 0 248.322 3.626 10 0 BHAERN CC(C)(C)c1ccc(C(=O)C(F)(F)F)s1 ZINC000165336357 346647866 /nfs/dbraw/zinc/64/78/66/346647866.db2.gz DTUKLULPKFGJFE-UHFFFAOYSA-N 0 0 236.258 3.791 10 0 BHAERN Cc1ccccc1-c1nc(Cl)cs1 ZINC000165397681 343133607 /nfs/dbraw/zinc/13/36/07/343133607.db2.gz LBKCIIQAERKRJS-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN Fc1ccc(-c2nc(Cl)cs2)cc1 ZINC000165397800 343133673 /nfs/dbraw/zinc/13/36/73/343133673.db2.gz XYFGLTPHKVNNHX-UHFFFAOYSA-N 0 0 213.664 3.603 10 0 BHAERN Cc1cccc(-c2nc(Cl)cs2)c1 ZINC000165399693 343133487 /nfs/dbraw/zinc/13/34/87/343133487.db2.gz SHWAMEHLDGFBKP-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN Fc1cccc(-c2nc(Cl)cs2)c1 ZINC000165399825 343133619 /nfs/dbraw/zinc/13/36/19/343133619.db2.gz DCHSSYKRQXYOAC-UHFFFAOYSA-N 0 0 213.664 3.603 10 0 BHAERN Clc1csc(-c2cccs2)n1 ZINC000165400375 343134752 /nfs/dbraw/zinc/13/47/52/343134752.db2.gz UJCLWDRAIVLZIR-UHFFFAOYSA-N 0 0 201.703 3.525 10 0 BHAERN Fc1cc(-c2nc(Cl)cs2)cc(F)c1F ZINC000165400908 343134633 /nfs/dbraw/zinc/13/46/33/343134633.db2.gz YEVPAJIKHYUNEW-UHFFFAOYSA-N 0 0 249.644 3.881 10 0 BHAERN Cc1ccc2nc(NCc3ccoc3)sc2c1 ZINC000165408128 640568850 /nfs/dbraw/zinc/56/88/50/640568850.db2.gz GLYBMMSWEMJFAC-UHFFFAOYSA-N 0 0 244.319 3.810 10 0 BHAERN Cc1ccc(-c2nc(Cl)cs2)s1 ZINC000165419694 343293812 /nfs/dbraw/zinc/29/38/12/343293812.db2.gz UTEYLRZSSCLQFJ-UHFFFAOYSA-N 0 0 215.730 3.833 10 0 BHAERN CC(C)CCCOc1cccc([C@@H](C)O)c1 ZINC000165447947 640578460 /nfs/dbraw/zinc/57/84/60/640578460.db2.gz BVNMOZQXMSZFCK-GFCCVEGCSA-N 0 0 222.328 3.555 10 0 BHAERN CC(C)CCCOc1cccc([C@H](C)O)c1 ZINC000165448066 640577510 /nfs/dbraw/zinc/57/75/10/640577510.db2.gz BVNMOZQXMSZFCK-LBPRGKRZSA-N 0 0 222.328 3.555 10 0 BHAERN CC(C)(C)OC(=O)Nc1cccc2occc21 ZINC000165476338 353360104 /nfs/dbraw/zinc/36/01/04/353360104.db2.gz JNWQRYMPARVORS-UHFFFAOYSA-N 0 0 233.267 3.780 10 0 BHAERN CC(C)c1ccccc1N[C@@H](C)[C@@H]1CCOC1 ZINC000165519044 385138391 /nfs/dbraw/zinc/13/83/91/385138391.db2.gz MSETYQWZSVJTEG-QWHCGFSZSA-N 0 0 233.355 3.647 10 0 BHAERN CC(C)c1ccccc1N[C@H](C)[C@@H]1CCOC1 ZINC000165519163 385139964 /nfs/dbraw/zinc/13/99/64/385139964.db2.gz MSETYQWZSVJTEG-CHWSQXEVSA-N 0 0 233.355 3.647 10 0 BHAERN CC(C)c1ccccc1N[C@@H](C)[C@H]1CCOC1 ZINC000165519292 385138819 /nfs/dbraw/zinc/13/88/19/385138819.db2.gz MSETYQWZSVJTEG-STQMWFEESA-N 0 0 233.355 3.647 10 0 BHAERN CC(C)c1ccccc1N[C@H](C)[C@H]1CCOC1 ZINC000165519430 385137378 /nfs/dbraw/zinc/13/73/78/385137378.db2.gz MSETYQWZSVJTEG-OLZOCXBDSA-N 0 0 233.355 3.647 10 0 BHAERN CO[C@H](C)[C@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000165520630 203385462 /nfs/dbraw/zinc/38/54/62/203385462.db2.gz SKMFRTMKDCNUMR-DTWKUNHWSA-N 0 0 247.260 3.541 10 0 BHAERN CO[C@H](C)[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000165520761 203386343 /nfs/dbraw/zinc/38/63/43/203386343.db2.gz SKMFRTMKDCNUMR-RKDXNWHRSA-N 0 0 247.260 3.541 10 0 BHAERN CO[C@@H](C)[C@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000165520862 203386070 /nfs/dbraw/zinc/38/60/70/203386070.db2.gz SKMFRTMKDCNUMR-IUCAKERBSA-N 0 0 247.260 3.541 10 0 BHAERN CO[C@@H](C)[C@@H](C)Nc1ccc(C(F)(F)F)cc1 ZINC000165520976 203385077 /nfs/dbraw/zinc/38/50/77/203385077.db2.gz SKMFRTMKDCNUMR-BDAKNGLRSA-N 0 0 247.260 3.541 10 0 BHAERN CC(C)[N@@H+]1CCCC[C@@H]1c1cccc(F)c1 ZINC000165613249 343938113 /nfs/dbraw/zinc/93/81/13/343938113.db2.gz IPIRWMDFILLAEV-CQSZACIVSA-N 0 0 221.319 3.761 10 0 BHAERN CC(C)[N@@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000165613373 343937937 /nfs/dbraw/zinc/93/79/37/343937937.db2.gz IPIRWMDFILLAEV-AWEZNQCLSA-N 0 0 221.319 3.761 10 0 BHAERN COc1ccc(N[C@@H](C)c2cncs2)c(C)c1 ZINC000165617621 175154044 /nfs/dbraw/zinc/15/40/44/175154044.db2.gz GQSXIVGFYJTMQZ-JTQLQIEISA-N 0 0 248.351 3.633 10 0 BHAERN COc1ccc(N[C@H](C)c2cncs2)c(C)c1 ZINC000165617739 175155316 /nfs/dbraw/zinc/15/53/16/175155316.db2.gz GQSXIVGFYJTMQZ-SNVBAGLBSA-N 0 0 248.351 3.633 10 0 BHAERN Cc1ccc(C2CCC(C)CC2)cc1N ZINC000165672191 368394173 /nfs/dbraw/zinc/39/41/73/368394173.db2.gz LBQSMUACEHVDLA-UHFFFAOYSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(C2CCC(C)CC2)c(N)c1 ZINC000165672693 368393811 /nfs/dbraw/zinc/39/38/11/368393811.db2.gz NIUDNRSPCKDMBV-UHFFFAOYSA-N 0 0 203.329 3.871 10 0 BHAERN C[C@H](CNCC(F)(F)F)CC1CCCCC1 ZINC000165752021 203385047 /nfs/dbraw/zinc/38/50/47/203385047.db2.gz JSERLGUMIWPOLP-JTQLQIEISA-N 0 0 237.309 3.745 10 0 BHAERN C[C@@H](CNCC(F)(F)F)CC1CCCCC1 ZINC000165752163 203384933 /nfs/dbraw/zinc/38/49/33/203384933.db2.gz JSERLGUMIWPOLP-SNVBAGLBSA-N 0 0 237.309 3.745 10 0 BHAERN COc1cc(C(C)=O)ccc1-c1ccccc1 ZINC000165833052 343237382 /nfs/dbraw/zinc/23/73/82/343237382.db2.gz HUCGHZJCTDHMQE-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN Nc1cnc2c(Cl)cc(Cl)cc2c1Cl ZINC000165860027 344158296 /nfs/dbraw/zinc/15/82/96/344158296.db2.gz LNIGTPQYOBDHEN-UHFFFAOYSA-N 0 0 247.512 3.777 10 0 BHAERN Nc1cnc2c(Cl)ccc(Cl)c2c1Cl ZINC000165861185 353753409 /nfs/dbraw/zinc/75/34/09/353753409.db2.gz LRASPOYJCQPHBO-UHFFFAOYSA-N 0 0 247.512 3.777 10 0 BHAERN CC(C)c1cccc2c(Cl)c(N)cnc21 ZINC000165867661 344160205 /nfs/dbraw/zinc/16/02/05/344160205.db2.gz KOTWQLFJNVSIJY-UHFFFAOYSA-N 0 0 220.703 3.594 10 0 BHAERN CCc1ccc(O)c(Oc2ccccc2)c1 ZINC000165910988 343250765 /nfs/dbraw/zinc/25/07/65/343250765.db2.gz ZCGGKXFDQCZQOJ-UHFFFAOYSA-N 0 0 214.264 3.747 10 0 BHAERN Cc1nc(Cl)sc1CC(C)(C)C ZINC000165920579 344213482 /nfs/dbraw/zinc/21/34/82/344213482.db2.gz HVLQEHJIBSMRTR-UHFFFAOYSA-N 0 0 203.738 3.694 10 0 BHAERN Fc1c2cc[nH]c2ccc1OCc1ccccc1 ZINC000165959883 343283940 /nfs/dbraw/zinc/28/39/40/343283940.db2.gz KUGZUGOEXUVIPL-UHFFFAOYSA-N 0 0 241.265 3.886 10 0 BHAERN CC(C)(C)OCc1cnc(Cl)cc1Cl ZINC000166011497 354751160 /nfs/dbraw/zinc/75/11/60/354751160.db2.gz QFCQRUVWLSQVGT-UHFFFAOYSA-N 0 0 234.126 3.704 10 0 BHAERN COC(=O)c1ccc(-c2ccccc2)c(Cl)c1 ZINC000166012973 343298084 /nfs/dbraw/zinc/29/80/84/343298084.db2.gz XDKZBTSJAUDZJL-UHFFFAOYSA-N 0 0 246.693 3.794 10 0 BHAERN CC(=O)c1ccc2c(c1)C(C)(C)CC=C2C ZINC000166046707 346664114 /nfs/dbraw/zinc/66/41/14/346664114.db2.gz CLCKEYDUIYBAND-UHFFFAOYSA-N 0 0 214.308 3.974 10 0 BHAERN CC(C)c1cccc(C2(O)CCCCC2)c1 ZINC000166090147 343304479 /nfs/dbraw/zinc/30/44/79/343304479.db2.gz YZAHUSYEDHYLHK-UHFFFAOYSA-N 0 0 218.340 3.962 10 0 BHAERN Oc1ccccc1-c1cc(-c2ccccc2)on1 ZINC000166127745 183298300 /nfs/dbraw/zinc/29/83/00/183298300.db2.gz HNKLAQFSSXMJLL-UHFFFAOYSA-N 0 0 237.258 3.714 10 0 BHAERN CC(C)Cc1cccc(OC(F)(F)F)c1 ZINC000166128761 355777531 /nfs/dbraw/zinc/77/75/31/355777531.db2.gz AFWVAQIIJPBXSP-UHFFFAOYSA-N 0 0 218.218 3.784 10 0 BHAERN Cc1nc2cc(C3CCCCC3)[nH]c2c(Cl)n1 ZINC000166129526 346666150 /nfs/dbraw/zinc/66/61/50/346666150.db2.gz FPLFRZRRMQMTNG-UHFFFAOYSA-N 0 0 249.745 3.919 10 0 BHAERN c1ccc([C@@H]2CNc3ccccc3S2)cc1 ZINC000166167033 343212593 /nfs/dbraw/zinc/21/25/93/343212593.db2.gz UGHIUXIMIHAFLR-AWEZNQCLSA-N 0 0 227.332 3.946 10 0 BHAERN c1ccc([C@H]2CNc3ccccc3S2)cc1 ZINC000166167155 343212471 /nfs/dbraw/zinc/21/24/71/343212471.db2.gz UGHIUXIMIHAFLR-CQSZACIVSA-N 0 0 227.332 3.946 10 0 BHAERN CCc1ccc(C=O)cc1-c1ccc(OC)cc1 ZINC000166176965 343310783 /nfs/dbraw/zinc/31/07/83/343310783.db2.gz BQDIZAINPORDHO-UHFFFAOYSA-N 0 0 240.302 3.737 10 0 BHAERN Oc1ccc2c(c1)snc2-c1ccc(F)cc1 ZINC000166190171 343318258 /nfs/dbraw/zinc/31/82/58/343318258.db2.gz WQFHEDNTMCGDSE-UHFFFAOYSA-N 0 0 245.278 3.808 10 0 BHAERN CC[C@](C)(O)c1cc2ccccc2s1 ZINC000166202377 344787766 /nfs/dbraw/zinc/78/77/66/344787766.db2.gz GAERQGFNAVLWLT-LBPRGKRZSA-N 0 0 206.310 3.519 10 0 BHAERN CC[C@@](C)(O)c1cc2ccccc2s1 ZINC000166202482 344787878 /nfs/dbraw/zinc/78/78/78/344787878.db2.gz GAERQGFNAVLWLT-GFCCVEGCSA-N 0 0 206.310 3.519 10 0 BHAERN c1cc(-c2cc3ccccc3s2)no1 ZINC000166206236 344788543 /nfs/dbraw/zinc/78/85/43/344788543.db2.gz AYXHBRNOXASNHB-UHFFFAOYSA-N 0 0 201.250 3.556 10 0 BHAERN Cc1cccc([C@H](O)CC(C)C)c1Cl ZINC000166238719 344811282 /nfs/dbraw/zinc/81/12/82/344811282.db2.gz VPNFMZYBTUJQJR-LLVKDONJSA-N 0 0 212.720 3.728 10 0 BHAERN Cc1cccc([C@@H](O)CC(C)C)c1Cl ZINC000166238842 344811103 /nfs/dbraw/zinc/81/11/03/344811103.db2.gz VPNFMZYBTUJQJR-NSHDSACASA-N 0 0 212.720 3.728 10 0 BHAERN COC(=O)c1ccc(C2CCCCC2)c(F)c1 ZINC000166249954 343355884 /nfs/dbraw/zinc/35/58/84/343355884.db2.gz VXTSTRCRXAJMMV-UHFFFAOYSA-N 0 0 236.286 3.660 10 0 BHAERN C[C@@H]1CSCc2c(Cl)ccc(F)c2C1=O ZINC000166294917 344846148 /nfs/dbraw/zinc/84/61/48/344846148.db2.gz UHBWBTBFBMRVRR-ZCFIWIBFSA-N 0 0 244.718 3.545 10 0 BHAERN C[C@H]1CSCc2c(Cl)ccc(F)c2C1=O ZINC000166295051 344846270 /nfs/dbraw/zinc/84/62/70/344846270.db2.gz UHBWBTBFBMRVRR-LURJTMIESA-N 0 0 244.718 3.545 10 0 BHAERN C[C@H](Nc1ccnc(Cl)c1)c1cccs1 ZINC000166312124 136345100 /nfs/dbraw/zinc/34/51/00/136345100.db2.gz NQHPPJIJYUPFTN-QMMMGPOBSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@@H](Nc1ccnc(Cl)c1)c1cccs1 ZINC000166312234 136345013 /nfs/dbraw/zinc/34/50/13/136345013.db2.gz NQHPPJIJYUPFTN-MRVPVSSYSA-N 0 0 238.743 3.970 10 0 BHAERN C[C@H](Nc1ccnc(Cl)c1)c1ccco1 ZINC000166312770 136345170 /nfs/dbraw/zinc/34/51/70/136345170.db2.gz CIAYRGCDLIFEEY-QMMMGPOBSA-N 0 0 222.675 3.501 10 0 BHAERN C[C@@H](Nc1ccnc(Cl)c1)c1ccco1 ZINC000166312887 136345101 /nfs/dbraw/zinc/34/51/01/136345101.db2.gz CIAYRGCDLIFEEY-MRVPVSSYSA-N 0 0 222.675 3.501 10 0 BHAERN Cc1cc(F)cc(C(F)(F)F)c1Cl ZINC000166316492 344854371 /nfs/dbraw/zinc/85/43/71/344854371.db2.gz UKJJORPSWCIWHY-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Cc1c(F)ccc(C(F)(F)F)c1Cl ZINC000166316612 344854510 /nfs/dbraw/zinc/85/45/10/344854510.db2.gz NRYZEBUJAYUZST-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Nc1ccc(Cl)c(Cl)c1C(F)(F)F ZINC000166317120 344854514 /nfs/dbraw/zinc/85/45/14/344854514.db2.gz WRHGPXDERSRCOC-UHFFFAOYSA-N 0 0 230.016 3.594 10 0 BHAERN Oc1cccc2ccc(C(F)(F)F)cc12 ZINC000166381236 344880063 /nfs/dbraw/zinc/88/00/63/344880063.db2.gz ARXBXFHKYFGTOD-UHFFFAOYSA-N 0 0 212.170 3.564 10 0 BHAERN CC(C)Oc1cccc2[nH]cc(Cl)c21 ZINC000166395516 344887781 /nfs/dbraw/zinc/88/77/81/344887781.db2.gz WLBYULBBTKQZCT-UHFFFAOYSA-N 0 0 209.676 3.609 10 0 BHAERN O=C(c1cc2sccc2s1)C1CC1 ZINC000166511760 344918324 /nfs/dbraw/zinc/91/83/24/344918324.db2.gz AJQUGESDDYRUDI-UHFFFAOYSA-N 0 0 208.307 3.556 10 0 BHAERN CC1=C2CCN(C)C[C@H]2c2cc(Cl)ccc21 ZINC000166539733 343675412 /nfs/dbraw/zinc/67/54/12/343675412.db2.gz CFHYWCPYINQONE-CQSZACIVSA-N 0 0 233.742 3.546 10 0 BHAERN CC1=C2CCN(C)C[C@@H]2c2cc(Cl)ccc21 ZINC000166539860 343675206 /nfs/dbraw/zinc/67/52/06/343675206.db2.gz CFHYWCPYINQONE-AWEZNQCLSA-N 0 0 233.742 3.546 10 0 BHAERN Cc1ccc(COc2cc(C)c(N)c(C)c2)cc1 ZINC000166562715 344928068 /nfs/dbraw/zinc/92/80/68/344928068.db2.gz FHKLQIMKQGMWKU-UHFFFAOYSA-N 0 0 241.334 3.773 10 0 BHAERN Clc1n[nH]c2c1cc(Cl)cc2Cl ZINC000166606116 344939125 /nfs/dbraw/zinc/93/91/25/344939125.db2.gz PVNRGIJBDNNCPM-UHFFFAOYSA-N 0 0 221.474 3.523 10 0 BHAERN Cc1nc(Cl)c2c(Cl)ccc(C)c2n1 ZINC000166615742 344943786 /nfs/dbraw/zinc/94/37/86/344943786.db2.gz AAHMOQLWRROCRX-UHFFFAOYSA-N 0 0 227.094 3.553 10 0 BHAERN CCc1nc(Cl)c2c(Cl)ccc(C)c2n1 ZINC000166616000 344943742 /nfs/dbraw/zinc/94/37/42/344943742.db2.gz YFZDRVUNYAYDRK-UHFFFAOYSA-N 0 0 241.121 3.807 10 0 BHAERN CCCc1ccc2nc(C)nc(Cl)c2c1 ZINC000166618738 344943771 /nfs/dbraw/zinc/94/37/71/344943771.db2.gz GLMMGCYLOWOUAK-UHFFFAOYSA-N 0 0 220.703 3.544 10 0 BHAERN CCc1nc(Cl)c2cc(C)cc(Cl)c2n1 ZINC000166619611 344943725 /nfs/dbraw/zinc/94/37/25/344943725.db2.gz IDNSFTFJHAHNED-UHFFFAOYSA-N 0 0 241.121 3.807 10 0 BHAERN CC[C@H](Nc1cnccc1Cl)C(C)C ZINC000166629354 346684532 /nfs/dbraw/zinc/68/45/32/346684532.db2.gz LZBYKAUTPDOPMC-JTQLQIEISA-N 0 0 212.724 3.582 10 0 BHAERN CC[C@@H](Nc1cnccc1Cl)C(C)C ZINC000166629471 344947338 /nfs/dbraw/zinc/94/73/38/344947338.db2.gz LZBYKAUTPDOPMC-SNVBAGLBSA-N 0 0 212.724 3.582 10 0 BHAERN OCc1ccc(-c2ccc(F)cc2)cc1Cl ZINC000166813175 343576247 /nfs/dbraw/zinc/57/62/47/343576247.db2.gz JVEWFQLRJZZSGG-UHFFFAOYSA-N 0 0 236.673 3.638 10 0 BHAERN C[C@]1(Cc2ccc(Cl)s2)CCC(=O)C1 ZINC000166867204 345916288 /nfs/dbraw/zinc/91/62/88/345916288.db2.gz CRODOAJIIZCRRD-NSHDSACASA-N 0 0 228.744 3.703 10 0 BHAERN C[C@@]1(Cc2ccc(Cl)s2)CCC(=O)C1 ZINC000166867316 345916598 /nfs/dbraw/zinc/91/65/98/345916598.db2.gz CRODOAJIIZCRRD-LLVKDONJSA-N 0 0 228.744 3.703 10 0 BHAERN CCOc1cc(Cl)c(C)cc1Cl ZINC000166898516 345949153 /nfs/dbraw/zinc/94/91/53/345949153.db2.gz ONGRNONIHLNWQY-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN Cc1cccc(-c2ccnc3[nH]ccc32)c1C ZINC000166922677 344398456 /nfs/dbraw/zinc/39/84/56/344398456.db2.gz RXJBDKLRQFYCPL-UHFFFAOYSA-N 0 0 222.291 3.847 10 0 BHAERN O=C1CCCc2ccc(-c3ccccc3)cc2N1 ZINC000166924860 344398274 /nfs/dbraw/zinc/39/82/74/344398274.db2.gz XBOKOOVHUNQNQW-UHFFFAOYSA-N 0 0 237.302 3.628 10 0 BHAERN CCOC(=O)C(C)=C1CCCCCCC1 ZINC000166942511 345963285 /nfs/dbraw/zinc/96/32/85/345963285.db2.gz AFUSBWGSGFIVDS-UHFFFAOYSA-N 0 0 210.317 3.610 10 0 BHAERN CCc1ccccc1-c1ccnc2[nH]ccc21 ZINC000166946431 398322466 /nfs/dbraw/zinc/32/24/66/398322466.db2.gz WCPILFDWQARZDI-UHFFFAOYSA-N 0 0 222.291 3.792 10 0 BHAERN Cc1ccc(C)c(-c2ccnc3[nH]ccc32)c1 ZINC000166947383 343581534 /nfs/dbraw/zinc/58/15/34/343581534.db2.gz ANIMGDGGQIAIMW-UHFFFAOYSA-N 0 0 222.291 3.847 10 0 BHAERN Fc1ccc(-c2ccnc3[nH]ccc32)c(F)c1 ZINC000166948721 346694720 /nfs/dbraw/zinc/69/47/20/346694720.db2.gz TUKWWTPEMIXDCY-UHFFFAOYSA-N 0 0 230.217 3.508 10 0 BHAERN c1cc2c(nccc2-c2cccc3cccnc32)[nH]1 ZINC000166949087 344471693 /nfs/dbraw/zinc/47/16/93/344471693.db2.gz YLYUTAXMYJXAPO-UHFFFAOYSA-N 0 0 245.285 3.778 10 0 BHAERN CC(C)C(=O)c1ccccc1C1CCC1 ZINC000167110180 346193529 /nfs/dbraw/zinc/19/35/29/346193529.db2.gz VPGNGFJPRNAALV-UHFFFAOYSA-N 0 0 202.297 3.793 10 0 BHAERN O=C(c1ccccc1C1CCC1)C1CC1 ZINC000167110893 346193426 /nfs/dbraw/zinc/19/34/26/346193426.db2.gz VLEAWGZARGKVIJ-UHFFFAOYSA-N 0 0 200.281 3.547 10 0 BHAERN CC(C)(C)C(=O)Cc1cccc(F)c1Cl ZINC000167133174 355960059 /nfs/dbraw/zinc/96/00/59/355960059.db2.gz GYKRJWHCKKOAMF-UHFFFAOYSA-N 0 0 228.694 3.637 10 0 BHAERN O=[N+]([O-])c1cccc(-c2ccc(Cl)cc2)c1 ZINC000167165172 488082736 /nfs/dbraw/zinc/08/27/36/488082736.db2.gz YVIAICBJQPHHLM-UHFFFAOYSA-N 0 0 233.654 3.915 10 0 BHAERN CC(=O)c1ccc(-c2cncc(F)c2)cc1Cl ZINC000167259410 343209110 /nfs/dbraw/zinc/20/91/10/343209110.db2.gz CMNANRDRXIHVKV-UHFFFAOYSA-N 0 0 249.672 3.744 10 0 BHAERN CCc1ccc(O)c(C(=O)C2CCCCC2)c1 ZINC000167299026 345505467 /nfs/dbraw/zinc/50/54/67/345505467.db2.gz CFZHTKRLGAIXDR-UHFFFAOYSA-N 0 0 232.323 3.718 10 0 BHAERN O=C(c1ccccc1)c1cc(C2CC2)ccc1O ZINC000167375784 345789512 /nfs/dbraw/zinc/78/95/12/345789512.db2.gz PJINMFJTYOUNLP-UHFFFAOYSA-N 0 0 238.286 3.501 10 0 BHAERN CC(C)[C@H]1CCc2ccccc2N1C(C)C ZINC000167471997 346251941 /nfs/dbraw/zinc/25/19/41/346251941.db2.gz XGJXFFZROUMVTC-CQSZACIVSA-N 0 0 217.356 3.872 10 0 BHAERN COc1cccc(F)c1-c1ccccc1C ZINC000167493808 343595469 /nfs/dbraw/zinc/59/54/69/343595469.db2.gz FXRJVDKYCOTRTO-UHFFFAOYSA-N 0 0 216.255 3.810 10 0 BHAERN CCc1ccc(OC)c(-c2ccccc2)c1 ZINC000167519908 343596092 /nfs/dbraw/zinc/59/60/92/343596092.db2.gz LIBACFQLOSQOKX-UHFFFAOYSA-N 0 0 212.292 3.925 10 0 BHAERN CC(C)Cc1ccc(Br)s1 ZINC000167527757 537807992 /nfs/dbraw/zinc/80/79/92/537807992.db2.gz UBOFODWCVBXQQX-UHFFFAOYSA-N 0 0 219.147 3.709 10 0 BHAERN COc1cc(Cl)ccc1Cc1ccccc1 ZINC000167571867 343596701 /nfs/dbraw/zinc/59/67/01/343596701.db2.gz YNHGARGPVLTBEF-UHFFFAOYSA-N 0 0 232.710 3.939 10 0 BHAERN CC(C)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000167718401 346904448 /nfs/dbraw/zinc/90/44/48/346904448.db2.gz OCUBFEKQYPWWFV-UHFFFAOYSA-N 0 0 234.192 3.683 10 0 BHAERN CC(C)C(=O)c1cc2sccc2s1 ZINC000167718739 346904372 /nfs/dbraw/zinc/90/43/72/346904372.db2.gz AQBGYROTJWYQLD-UHFFFAOYSA-N 0 0 210.323 3.802 10 0 BHAERN Cc1ccc(Br)c(C(=O)C(C)C)c1 ZINC000167719206 346904275 /nfs/dbraw/zinc/90/42/75/346904275.db2.gz XVRJFHOYVBIQKW-UHFFFAOYSA-N 0 0 241.128 3.596 10 0 BHAERN Cc1cc(Br)cc(C(=O)C(C)C)c1 ZINC000167723134 346911135 /nfs/dbraw/zinc/91/11/35/346911135.db2.gz HAGXVPJXMMWSJS-UHFFFAOYSA-N 0 0 241.128 3.596 10 0 BHAERN Cc1c(Br)cccc1C(=O)C(C)C ZINC000167723597 346911134 /nfs/dbraw/zinc/91/11/34/346911134.db2.gz RQVQOWMLTKHSAR-UHFFFAOYSA-N 0 0 241.128 3.596 10 0 BHAERN CCC(=O)c1cc2c(s1)CCCCC2 ZINC000167729801 346910502 /nfs/dbraw/zinc/91/05/02/346910502.db2.gz QGPTVACEWGKLEF-UHFFFAOYSA-N 0 0 208.326 3.610 10 0 BHAERN Cc1ccc(C(=O)C2CCCCC2)c(F)c1 ZINC000167737440 346916632 /nfs/dbraw/zinc/91/66/32/346916632.db2.gz SKTROAAKFUQMNK-UHFFFAOYSA-N 0 0 220.287 3.897 10 0 BHAERN O=C(c1cccc(F)c1Cl)C1CCCC1 ZINC000167746720 356435214 /nfs/dbraw/zinc/43/52/14/356435214.db2.gz SMIWJBCBJYVCQI-UHFFFAOYSA-N 0 0 226.678 3.852 10 0 BHAERN Cc1ccc(C(=O)C2CCCC2)c(F)c1 ZINC000167752967 346935504 /nfs/dbraw/zinc/93/55/04/346935504.db2.gz VPMKJTBIHGZSQF-UHFFFAOYSA-N 0 0 206.260 3.507 10 0 BHAERN CC(C)CC(=O)c1cccc(F)c1Cl ZINC000167757082 346937266 /nfs/dbraw/zinc/93/72/66/346937266.db2.gz NPHISBKTTAOSHW-UHFFFAOYSA-N 0 0 214.667 3.708 10 0 BHAERN CSc1ccccc1C(=O)CC(C)C ZINC000167760022 346936759 /nfs/dbraw/zinc/93/67/59/346936759.db2.gz NGZCKZUQEDROKA-UHFFFAOYSA-N 0 0 208.326 3.637 10 0 BHAERN CC(C)CC(=O)c1ccccc1OC(F)F ZINC000167763774 346967078 /nfs/dbraw/zinc/96/70/78/346967078.db2.gz DZJRNPYQWOACLE-UHFFFAOYSA-N 0 0 228.238 3.517 10 0 BHAERN CC(C)CC(=O)c1cc(F)c(Cl)cc1F ZINC000167764281 346967224 /nfs/dbraw/zinc/96/72/24/346967224.db2.gz XDBLPQDBZPKETQ-UHFFFAOYSA-N 0 0 232.657 3.847 10 0 BHAERN Cc1cccc(C(=O)C2(C)CCCC2)c1 ZINC000167773770 347048035 /nfs/dbraw/zinc/04/80/35/347048035.db2.gz YPITUJTVMDHDFZ-UHFFFAOYSA-N 0 0 202.297 3.758 10 0 BHAERN O=C(CCC1CCCC1)c1cccc(F)c1 ZINC000167782248 347086409 /nfs/dbraw/zinc/08/64/09/347086409.db2.gz UNZGHPIWEIIFRL-UHFFFAOYSA-N 0 0 220.287 3.979 10 0 BHAERN Cc1nccc2c(-c3ccccc3)c[nH]c21 ZINC000167784604 180208916 /nfs/dbraw/zinc/20/89/16/180208916.db2.gz NDOACTOTTZCASQ-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN CC[C@@H]1CCC(=O)[C@H]([C@H]2C=CCCC2)C1 ZINC000167787873 347087539 /nfs/dbraw/zinc/08/75/39/347087539.db2.gz LIAAQQZQVDJLTO-AGIUHOORSA-N 0 0 206.329 3.738 10 0 BHAERN CC[C@@H]1CCC(=O)[C@@H]([C@H]2C=CCCC2)C1 ZINC000167788057 347087259 /nfs/dbraw/zinc/08/72/59/347087259.db2.gz LIAAQQZQVDJLTO-FRRDWIJNSA-N 0 0 206.329 3.738 10 0 BHAERN CCC(CC)C(=O)c1cc(C)cc(C)c1 ZINC000167798220 347169463 /nfs/dbraw/zinc/16/94/63/347169463.db2.gz LQZPPLSPCJPYLL-UHFFFAOYSA-N 0 0 204.313 3.922 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(C)cc(C)c1 ZINC000167798447 347169827 /nfs/dbraw/zinc/16/98/27/347169827.db2.gz KZGRDCOSGRDNGZ-GFCCVEGCSA-N 0 0 204.313 3.922 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(C)cc(C)c1 ZINC000167798567 347169526 /nfs/dbraw/zinc/16/95/26/347169526.db2.gz KZGRDCOSGRDNGZ-LBPRGKRZSA-N 0 0 204.313 3.922 10 0 BHAERN CC(C)[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000167849610 346719619 /nfs/dbraw/zinc/71/96/19/346719619.db2.gz RUCUMEAMLSGWCC-SECBINFHSA-N 0 0 210.704 3.815 10 0 BHAERN CCC[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000167849843 346719570 /nfs/dbraw/zinc/71/95/70/346719570.db2.gz AKTXTZXQDOWDPN-SECBINFHSA-N 0 0 210.704 3.959 10 0 BHAERN O=Cc1ccc(S[C@H]2C=CCCC2)cc1 ZINC000167866200 356453657 /nfs/dbraw/zinc/45/36/57/356453657.db2.gz BANIKVKSNDPYHR-LBPRGKRZSA-N 0 0 218.321 3.700 10 0 BHAERN O=Cc1ccc(S[C@@H]2C=CCCC2)cc1 ZINC000167866319 349270546 /nfs/dbraw/zinc/27/05/46/349270546.db2.gz BANIKVKSNDPYHR-GFCCVEGCSA-N 0 0 218.321 3.700 10 0 BHAERN Cc1ccc(N)cc1-c1ccc(C(C)C)nc1 ZINC000167891243 398101693 /nfs/dbraw/zinc/10/16/93/398101693.db2.gz ZMPJVKXRBAMBTK-UHFFFAOYSA-N 0 0 226.323 3.763 10 0 BHAERN CCC(CC)C(=O)c1ccc(OC)cc1C ZINC000167918838 350784297 /nfs/dbraw/zinc/78/42/97/350784297.db2.gz RPYWLTKOOIMCMO-UHFFFAOYSA-N 0 0 220.312 3.623 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(OC)cc1C ZINC000167918960 350784671 /nfs/dbraw/zinc/78/46/71/350784671.db2.gz VVTHJCLGCWVQGF-SNVBAGLBSA-N 0 0 220.312 3.623 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(OC)cc1C ZINC000167919066 350784594 /nfs/dbraw/zinc/78/45/94/350784594.db2.gz VVTHJCLGCWVQGF-JTQLQIEISA-N 0 0 220.312 3.623 10 0 BHAERN CCC(C)(C)C(=O)c1ccc(OC)cc1C ZINC000167919736 350784607 /nfs/dbraw/zinc/78/46/07/350784607.db2.gz CPDVQVUCEVYWNA-UHFFFAOYSA-N 0 0 220.312 3.623 10 0 BHAERN CC1(C(=O)c2ccccc2F)CCCC1 ZINC000167934693 350811945 /nfs/dbraw/zinc/81/19/45/350811945.db2.gz CKYZMADQBKNCNR-UHFFFAOYSA-N 0 0 206.260 3.589 10 0 BHAERN O=C(CCC1CCCC1)c1ccccc1F ZINC000167937727 350812245 /nfs/dbraw/zinc/81/22/45/350812245.db2.gz GIDIJMVSDGOQOX-UHFFFAOYSA-N 0 0 220.287 3.979 10 0 BHAERN CCCCC(=O)c1cccc(F)c1Cl ZINC000167944410 349375949 /nfs/dbraw/zinc/37/59/49/349375949.db2.gz QLYQPFPWPZCCHE-UHFFFAOYSA-N 0 0 214.667 3.852 10 0 BHAERN CCCCC(=O)c1ccc(OC(F)F)cc1 ZINC000167944660 349376046 /nfs/dbraw/zinc/37/60/46/349376046.db2.gz GKSFDAORKOPPDS-UHFFFAOYSA-N 0 0 228.238 3.661 10 0 BHAERN CCCCC(=O)c1ccccc1SC ZINC000167948077 361868507 /nfs/dbraw/zinc/86/85/07/361868507.db2.gz KAFFITCYPHIOLK-UHFFFAOYSA-N 0 0 208.326 3.781 10 0 BHAERN CCCCC(=O)c1cccc(OC(F)F)c1 ZINC000167948216 349422282 /nfs/dbraw/zinc/42/22/82/349422282.db2.gz YESJKSXUHYMREY-UHFFFAOYSA-N 0 0 228.238 3.661 10 0 BHAERN CCCCC(=O)c1ccccc1OC(F)F ZINC000167952715 351048617 /nfs/dbraw/zinc/04/86/17/351048617.db2.gz FNOHLFLMVNFHOC-UHFFFAOYSA-N 0 0 228.238 3.661 10 0 BHAERN CC(=O)c1ccc(C)c(NC(=O)OC(C)(C)C)c1 ZINC000167983780 343610367 /nfs/dbraw/zinc/61/03/67/343610367.db2.gz LQYCISXLVFNBBN-UHFFFAOYSA-N 0 0 249.310 3.545 10 0 BHAERN CCc1cccc(C(=O)c2cccs2)c1 ZINC000167987251 351181965 /nfs/dbraw/zinc/18/19/65/351181965.db2.gz JHGUMGJLYZRCGH-UHFFFAOYSA-N 0 0 216.305 3.542 10 0 BHAERN CCc1cccc(C(=O)Cc2ccccc2)c1 ZINC000167987934 351182481 /nfs/dbraw/zinc/18/24/81/351182481.db2.gz BUQYPZRKZZQGDR-UHFFFAOYSA-N 0 0 224.303 3.674 10 0 BHAERN CCc1cccc(C(=O)Cc2cccs2)c1 ZINC000167993825 351224778 /nfs/dbraw/zinc/22/47/78/351224778.db2.gz VCRKNJAUNJEXTC-UHFFFAOYSA-N 0 0 230.332 3.736 10 0 BHAERN CCc1cccc(C(=O)COc2ccccc2)c1 ZINC000167994326 351224966 /nfs/dbraw/zinc/22/49/66/351224966.db2.gz VHDNCCRUBKYTPY-UHFFFAOYSA-N 0 0 240.302 3.511 10 0 BHAERN Cc1cc(C(=O)CC2CCCCC2)co1 ZINC000168006061 351250612 /nfs/dbraw/zinc/25/06/12/351250612.db2.gz RRLAIKLCCDMUNJ-UHFFFAOYSA-N 0 0 206.285 3.741 10 0 BHAERN CC(C)/C(=C\[C@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000168026634 351266027 /nfs/dbraw/zinc/26/60/27/351266027.db2.gz HUKGAAKRLYEPBW-RJEBGXRKSA-N 0 0 211.305 3.629 10 0 BHAERN CC(C)/C(=C\[C@H]1CCC[C@H](C)C1)[N+](=O)[O-] ZINC000168026727 351266198 /nfs/dbraw/zinc/26/61/98/351266198.db2.gz HUKGAAKRLYEPBW-BEICOJSVSA-N 0 0 211.305 3.629 10 0 BHAERN CC(C)/C(=C\[C@@H]1CCC[C@@H](C)C1)[N+](=O)[O-] ZINC000168026822 351266182 /nfs/dbraw/zinc/26/61/82/351266182.db2.gz HUKGAAKRLYEPBW-XGFGGAMFSA-N 0 0 211.305 3.629 10 0 BHAERN CC(C)/C(=C\[C@@H]1CCC[C@H](C)C1)[N+](=O)[O-] ZINC000168026936 351266014 /nfs/dbraw/zinc/26/60/14/351266014.db2.gz HUKGAAKRLYEPBW-UKOINSAQSA-N 0 0 211.305 3.629 10 0 BHAERN Cc1cc(Br)cc(Cl)c1C ZINC000168033385 351269928 /nfs/dbraw/zinc/26/99/28/351269928.db2.gz ZPCCBIVNFUTPQR-UHFFFAOYSA-N 0 0 219.509 3.719 10 0 BHAERN CC(C)Oc1ccc(Oc2ccc(C=O)o2)cc1 ZINC000168117688 345811119 /nfs/dbraw/zinc/81/11/19/345811119.db2.gz RSATVDOWIADCKR-UHFFFAOYSA-N 0 0 246.262 3.672 10 0 BHAERN Cc1sccc1-c1cc(O)cc(F)c1 ZINC000168118718 351300591 /nfs/dbraw/zinc/30/05/91/351300591.db2.gz FDOFOGMJXCAZLK-UHFFFAOYSA-N 0 0 208.257 3.568 10 0 BHAERN c1ccc2c(c1)C=Cc1cccc3c1N2CC3 ZINC000168123042 345811159 /nfs/dbraw/zinc/81/11/59/345811159.db2.gz TVVVPFCQCPUQPK-UHFFFAOYSA-N 0 0 219.287 3.865 10 0 BHAERN Cc1cccc(C(=O)[C@@H](C)C(C)C)c1C ZINC000168137311 351312341 /nfs/dbraw/zinc/31/23/41/351312341.db2.gz RDNOSZZPTMDDNH-NSHDSACASA-N 0 0 204.313 3.778 10 0 BHAERN Cc1cccc(C(=O)[C@H](C)C(C)C)c1C ZINC000168137413 351312684 /nfs/dbraw/zinc/31/26/84/351312684.db2.gz RDNOSZZPTMDDNH-LLVKDONJSA-N 0 0 204.313 3.778 10 0 BHAERN CCC(CC)C(=O)c1cccc(C)c1C ZINC000168137540 345287293 /nfs/dbraw/zinc/28/72/93/345287293.db2.gz UGWDBJQHFSPQEN-UHFFFAOYSA-N 0 0 204.313 3.922 10 0 BHAERN CCC[C@@H](C)C(=O)c1cccc(C)c1C ZINC000168137656 345287398 /nfs/dbraw/zinc/28/73/98/345287398.db2.gz ZOMAOKDALQITBJ-LLVKDONJSA-N 0 0 204.313 3.922 10 0 BHAERN CCC[C@H](C)C(=O)c1cccc(C)c1C ZINC000168137768 345287568 /nfs/dbraw/zinc/28/75/68/345287568.db2.gz ZOMAOKDALQITBJ-NSHDSACASA-N 0 0 204.313 3.922 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(F)cc(F)c1 ZINC000168145247 345287571 /nfs/dbraw/zinc/28/75/71/345287571.db2.gz SKJRRMDLUKVXHM-MRVPVSSYSA-N 0 0 212.239 3.584 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(F)cc(F)c1 ZINC000168145360 345287878 /nfs/dbraw/zinc/28/78/78/345287878.db2.gz SKJRRMDLUKVXHM-QMMMGPOBSA-N 0 0 212.239 3.584 10 0 BHAERN CC(C)C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000168148737 343613690 /nfs/dbraw/zinc/61/36/90/343613690.db2.gz IHQDOHWYHYUBPC-UHFFFAOYSA-N 0 0 234.192 3.683 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(F)ccc1C ZINC000168148989 345288214 /nfs/dbraw/zinc/28/82/14/345288214.db2.gz LDMHVPRYAQTPJS-SNVBAGLBSA-N 0 0 208.276 3.753 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(F)ccc1C ZINC000168149108 351319561 /nfs/dbraw/zinc/31/95/61/351319561.db2.gz LDMHVPRYAQTPJS-JTQLQIEISA-N 0 0 208.276 3.753 10 0 BHAERN Brc1cc2c(c3ccccc13)NCC2 ZINC000168149649 640787375 /nfs/dbraw/zinc/78/73/75/640787375.db2.gz KVXSEBPVFUSXJQ-UHFFFAOYSA-N 0 0 248.123 3.570 10 0 BHAERN CCC(C)(C)C(=O)c1cc(F)ccc1C ZINC000168150452 356497129 /nfs/dbraw/zinc/49/71/29/356497129.db2.gz NVMHIGYMNXLXOX-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(F)cc1C ZINC000168152770 345287815 /nfs/dbraw/zinc/28/78/15/345287815.db2.gz JKGNWWLTTUFUHI-SECBINFHSA-N 0 0 208.276 3.753 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(F)cc1C ZINC000168152865 351325177 /nfs/dbraw/zinc/32/51/77/351325177.db2.gz JKGNWWLTTUFUHI-VIFPVBQESA-N 0 0 208.276 3.753 10 0 BHAERN CCC(C)(C)C(=O)c1ccc(F)cc1C ZINC000168154271 351325489 /nfs/dbraw/zinc/32/54/89/351325489.db2.gz JTKCMWMRHQKYPR-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN CC(C)(C)C(=O)c1cccc(OC(F)F)c1 ZINC000168163242 351328140 /nfs/dbraw/zinc/32/81/40/351328140.db2.gz IYELCWHUYRUPKJ-UHFFFAOYSA-N 0 0 228.238 3.517 10 0 BHAERN Cc1cccc(C(=O)C(C)(C)C)c1Cl ZINC000168165285 351327316 /nfs/dbraw/zinc/32/73/16/351327316.db2.gz GHTNEGZROLIVFX-UHFFFAOYSA-N 0 0 210.704 3.877 10 0 BHAERN CC(C)(C)C(=O)c1ccccc1OC(F)F ZINC000168167805 351329746 /nfs/dbraw/zinc/32/97/46/351329746.db2.gz OKUBMQBVKUODLW-UHFFFAOYSA-N 0 0 228.238 3.517 10 0 BHAERN FC(F)(F)S[C@@H]1CCc2ccccc2C1 ZINC000168168434 345811097 /nfs/dbraw/zinc/81/10/97/345811097.db2.gz NCPJYSXIFSZBTJ-SNVBAGLBSA-N 0 0 232.270 3.797 10 0 BHAERN CC(C)(C)C(=O)c1cc(F)c(Cl)cc1F ZINC000168168478 351329736 /nfs/dbraw/zinc/32/97/36/351329736.db2.gz XWXFJJYGQYXQFK-UHFFFAOYSA-N 0 0 232.657 3.847 10 0 BHAERN FC(F)(F)S[C@H]1CCc2ccccc2C1 ZINC000168168549 343613309 /nfs/dbraw/zinc/61/33/09/343613309.db2.gz NCPJYSXIFSZBTJ-JTQLQIEISA-N 0 0 232.270 3.797 10 0 BHAERN CCn1c2ccccc2c2c1ccc(CO)c2C ZINC000168179792 345810982 /nfs/dbraw/zinc/81/09/82/345810982.db2.gz AXVLTNABBNCFSI-UHFFFAOYSA-N 0 0 239.318 3.615 10 0 BHAERN O=C(c1ccoc1)c1cc2ccccc2s1 ZINC000168188205 345292077 /nfs/dbraw/zinc/29/20/77/345292077.db2.gz FZLPTJAIMLUDBH-UHFFFAOYSA-N 0 0 228.272 3.725 10 0 BHAERN CC(=O)c1ccc2ccc(Br)cc2c1 ZINC000168191724 345811012 /nfs/dbraw/zinc/81/10/12/345811012.db2.gz GXGCJJNCNLLFLX-UHFFFAOYSA-N 0 0 249.107 3.805 10 0 BHAERN FC(F)(F)c1cc(Cl)c2c(c1)CCCN2 ZINC000168267112 345757573 /nfs/dbraw/zinc/75/75/73/345757573.db2.gz XHWTXSCLCGVNHP-UHFFFAOYSA-N 0 0 235.636 3.717 10 0 BHAERN CCc1cccc([C@@H]2CCCCCC2=O)c1 ZINC000168268540 632456339 /nfs/dbraw/zinc/45/63/39/632456339.db2.gz OKZSGCZFKQRIBC-AWEZNQCLSA-N 0 0 216.324 3.866 10 0 BHAERN CCc1cccc([C@H]2CCCCCC2=O)c1 ZINC000168268638 632457383 /nfs/dbraw/zinc/45/73/83/632457383.db2.gz OKZSGCZFKQRIBC-CQSZACIVSA-N 0 0 216.324 3.866 10 0 BHAERN CC(C)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000168273258 351364254 /nfs/dbraw/zinc/36/42/54/351364254.db2.gz GTACJKKFSZTAAL-UHFFFAOYSA-N 0 0 234.192 3.683 10 0 BHAERN CCC[C@@H](C)C(=O)c1c(F)cccc1F ZINC000168281890 345298741 /nfs/dbraw/zinc/29/87/41/345298741.db2.gz JEGSWEQPZMCUNX-MRVPVSSYSA-N 0 0 212.239 3.584 10 0 BHAERN CCC[C@H](C)C(=O)c1c(F)cccc1F ZINC000168281995 351366862 /nfs/dbraw/zinc/36/68/62/351366862.db2.gz JEGSWEQPZMCUNX-QMMMGPOBSA-N 0 0 212.239 3.584 10 0 BHAERN CCC(C)(C)C(=O)c1c(F)cccc1F ZINC000168283360 356714217 /nfs/dbraw/zinc/71/42/17/356714217.db2.gz ICKGRTKNZHJNNT-UHFFFAOYSA-N 0 0 212.239 3.584 10 0 BHAERN c1ccc(CNc2cncc3ccccc32)cc1 ZINC000168327409 351377808 /nfs/dbraw/zinc/37/78/08/351377808.db2.gz IESKCNUUBPPMCI-UHFFFAOYSA-N 0 0 234.302 3.847 10 0 BHAERN CCC(CC)C(=O)c1cccc(F)c1F ZINC000168330757 345305807 /nfs/dbraw/zinc/30/58/07/345305807.db2.gz DCMHTKOVAOZFRS-UHFFFAOYSA-N 0 0 212.239 3.584 10 0 BHAERN CCC[C@@H](C)C(=O)c1cccc(F)c1F ZINC000168330874 345306239 /nfs/dbraw/zinc/30/62/39/345306239.db2.gz YHNGCRUVYDYWOG-MRVPVSSYSA-N 0 0 212.239 3.584 10 0 BHAERN CCC[C@H](C)C(=O)c1cccc(F)c1F ZINC000168330952 345306261 /nfs/dbraw/zinc/30/62/61/345306261.db2.gz YHNGCRUVYDYWOG-QMMMGPOBSA-N 0 0 212.239 3.584 10 0 BHAERN CCC(C)(C)C(=O)c1cccc(F)c1F ZINC000168332293 351380892 /nfs/dbraw/zinc/38/08/92/351380892.db2.gz HAOWDHDDOOLJRU-UHFFFAOYSA-N 0 0 212.239 3.584 10 0 BHAERN O=C(C1CCC1)[C@H]1CCCc2sccc21 ZINC000168348580 346734746 /nfs/dbraw/zinc/73/47/46/346734746.db2.gz BUJBOZLICUOGEE-NSHDSACASA-N 0 0 220.337 3.537 10 0 BHAERN Cc1cccc(C(=O)CC2CCC2)c1C ZINC000168350473 351385261 /nfs/dbraw/zinc/38/52/61/351385261.db2.gz AGILZUIMYDPRPN-UHFFFAOYSA-N 0 0 202.297 3.676 10 0 BHAERN Cc1cc(Cl)cc(C(=O)CC2CC2)c1 ZINC000168377607 352083825 /nfs/dbraw/zinc/08/38/25/352083825.db2.gz HRAXXHXVPVQAHY-UHFFFAOYSA-N 0 0 208.688 3.631 10 0 BHAERN CCc1ccc(-c2ccccc2)c(C=O)c1 ZINC000168386134 640804218 /nfs/dbraw/zinc/80/42/18/640804218.db2.gz TUQCZPKNMZVVMM-UHFFFAOYSA-N 0 0 210.276 3.729 10 0 BHAERN O=C(CC1CCCCCC1)[C@@H]1CCCS1 ZINC000168422603 355806829 /nfs/dbraw/zinc/80/68/29/355806829.db2.gz PASGLGDTTRFYTQ-ZDUSSCGKSA-N 0 0 226.385 3.812 10 0 BHAERN O=C(CC1CCCCCC1)[C@H]1CCCS1 ZINC000168422710 355806800 /nfs/dbraw/zinc/80/68/00/355806800.db2.gz PASGLGDTTRFYTQ-CYBMUJFWSA-N 0 0 226.385 3.812 10 0 BHAERN COc1ccc(-c2cccc(C)c2)cc1F ZINC000168427780 711831925 /nfs/dbraw/zinc/83/19/25/711831925.db2.gz DRBKDHCHVFSAKY-UHFFFAOYSA-N 0 0 216.255 3.810 10 0 BHAERN Cc1cccc(C(=O)c2ccsc2)c1Cl ZINC000168433418 355819589 /nfs/dbraw/zinc/81/95/89/355819589.db2.gz SNWSCUYEFJBFIX-UHFFFAOYSA-N 0 0 236.723 3.941 10 0 BHAERN O=C(c1ccsc1)c1cc2c(s1)CCC2 ZINC000168434569 355819721 /nfs/dbraw/zinc/81/97/21/355819721.db2.gz UWMWKKQJZNVLOF-UHFFFAOYSA-N 0 0 234.345 3.529 10 0 BHAERN CC(C)[C@H](C)C(=O)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000168448289 355830670 /nfs/dbraw/zinc/83/06/70/355830670.db2.gz VLZJLHHXJKDWPH-MROQNXINSA-N 0 0 210.361 3.920 10 0 BHAERN CC(C)[C@H](C)C(=O)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000168448389 355830844 /nfs/dbraw/zinc/83/08/44/355830844.db2.gz VLZJLHHXJKDWPH-ZDEQEGDKSA-N 0 0 210.361 3.920 10 0 BHAERN C[C@H](C(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1)C1CC1 ZINC000168452052 355835128 /nfs/dbraw/zinc/83/51/28/355835128.db2.gz MUEBHCFYKRRJEV-BLFANLJRSA-N 0 0 208.345 3.674 10 0 BHAERN Cc1cc(C(=O)CC2CCCC2)cs1 ZINC000168466130 355841283 /nfs/dbraw/zinc/84/12/83/355841283.db2.gz QXVCIXJARLTGFD-UHFFFAOYSA-N 0 0 208.326 3.820 10 0 BHAERN Cc1cc(C(=O)c2cc(C)c(C)s2)cs1 ZINC000168469935 355841150 /nfs/dbraw/zinc/84/11/50/355841150.db2.gz ZKWDYWZXOFKMNB-UHFFFAOYSA-N 0 0 236.361 3.966 10 0 BHAERN CC(C)C[C@H](O)c1cccc(F)c1Cl ZINC000168484724 356901588 /nfs/dbraw/zinc/90/15/88/356901588.db2.gz YQSVEMATCRWLRV-JTQLQIEISA-N 0 0 216.683 3.559 10 0 BHAERN CC(C)C[C@@H](O)c1cccc(F)c1Cl ZINC000168484829 355855224 /nfs/dbraw/zinc/85/52/24/355855224.db2.gz YQSVEMATCRWLRV-SNVBAGLBSA-N 0 0 216.683 3.559 10 0 BHAERN CCn1c2ccccc2c2cc(CO)c(C)cc21 ZINC000168551185 345820976 /nfs/dbraw/zinc/82/09/76/345820976.db2.gz AJNSASZWQGWCTK-UHFFFAOYSA-N 0 0 239.318 3.615 10 0 BHAERN CCNc1ccc2nc(-c3ccccc3)oc2c1 ZINC000168584763 170174824 /nfs/dbraw/zinc/17/48/24/170174824.db2.gz CEKMKKBXEQMZPS-UHFFFAOYSA-N 0 0 238.290 3.927 10 0 BHAERN O=Cc1cccc(-c2ccccc2)c1Cl ZINC000168628887 640817925 /nfs/dbraw/zinc/81/79/25/640817925.db2.gz WHDHYJYEGNWHCI-UHFFFAOYSA-N 0 0 216.667 3.820 10 0 BHAERN c1ccc2c(c1)Sc1ccncc1S2 ZINC000168635318 343620141 /nfs/dbraw/zinc/62/01/41/343620141.db2.gz TWPUGFGSJVWDRK-UHFFFAOYSA-N 0 0 217.318 3.697 10 0 BHAERN Cc1cccc(C)c1Oc1nc2ccccc2[nH]1 ZINC000168635480 343619976 /nfs/dbraw/zinc/61/99/76/343619976.db2.gz QHVRNDBEJPDEPB-UHFFFAOYSA-N 0 0 238.290 3.972 10 0 BHAERN CCC(CC)C(=O)c1ccc(OC(F)F)cc1 ZINC000168647283 346739476 /nfs/dbraw/zinc/73/94/76/346739476.db2.gz GIXYRQHFKYPQDP-UHFFFAOYSA-N 0 0 242.265 3.907 10 0 BHAERN CCC(CC)C(=O)c1cccc(OC(F)F)c1 ZINC000168656097 356865932 /nfs/dbraw/zinc/86/59/32/356865932.db2.gz YXUGJESFCHCYLL-UHFFFAOYSA-N 0 0 242.265 3.907 10 0 BHAERN CCC(CC)C(=O)c1ccccc1OC(F)F ZINC000168665618 356991667 /nfs/dbraw/zinc/99/16/67/356991667.db2.gz WUQCVFZOVJMODF-UHFFFAOYSA-N 0 0 242.265 3.907 10 0 BHAERN CCOC(=O)Nc1ccc2cc(F)ccc2c1 ZINC000168672611 345822465 /nfs/dbraw/zinc/82/24/65/345822465.db2.gz OXXHFFNTYYWIQC-UHFFFAOYSA-N 0 0 233.242 3.547 10 0 BHAERN FC(F)(F)c1cn2c3ccccc3sc2n1 ZINC000168684359 345823058 /nfs/dbraw/zinc/82/30/58/345823058.db2.gz HLINUQAKUAUNMM-UHFFFAOYSA-N 0 0 242.225 3.568 10 0 BHAERN Fc1cc(Cl)cc(F)c1OC(F)(F)F ZINC000168693495 357207446 /nfs/dbraw/zinc/20/74/46/357207446.db2.gz FYVAPGBXJXZBDE-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN O=C1CCC(c2ccc(Cl)s2)CC1 ZINC000168724061 357197835 /nfs/dbraw/zinc/19/78/35/357197835.db2.gz ZGEKHCMVKZPDAX-UHFFFAOYSA-N 0 0 214.717 3.628 10 0 BHAERN O=Cc1cc2ccccc2c2sccc21 ZINC000168729118 345821408 /nfs/dbraw/zinc/82/14/08/345821408.db2.gz ZYXKEMMOHRLIHI-UHFFFAOYSA-N 0 0 212.273 3.867 10 0 BHAERN O=Cc1cc2ccccc2c2ccsc21 ZINC000168730675 346741759 /nfs/dbraw/zinc/74/17/59/346741759.db2.gz NDNPUQGGLWIBPN-UHFFFAOYSA-N 0 0 212.273 3.867 10 0 BHAERN CC(=O)c1ccc(N[C@H](C)CC(C)C)cc1 ZINC000168740054 384308175 /nfs/dbraw/zinc/30/81/75/384308175.db2.gz POZUAJYZIBMVSJ-LLVKDONJSA-N 0 0 219.328 3.736 10 0 BHAERN CC(=O)c1ccc(N[C@@H](C)CC(C)C)cc1 ZINC000168740152 384306287 /nfs/dbraw/zinc/30/62/87/384306287.db2.gz POZUAJYZIBMVSJ-NSHDSACASA-N 0 0 219.328 3.736 10 0 BHAERN CCOC(=O)Nc1cc2ccccc2cc1F ZINC000168750807 345822310 /nfs/dbraw/zinc/82/23/10/345822310.db2.gz JZXNOPZWHSNPJX-UHFFFAOYSA-N 0 0 233.242 3.547 10 0 BHAERN CC(C)[C@@H](C)[C@H](O)c1ccccc1Cl ZINC000168883655 357969412 /nfs/dbraw/zinc/96/94/12/357969412.db2.gz MFWOVMGIOIXWOT-SKDRFNHKSA-N 0 0 212.720 3.666 10 0 BHAERN CC(C)[C@H](C)[C@H](O)c1ccccc1Cl ZINC000168883735 357968763 /nfs/dbraw/zinc/96/87/63/357968763.db2.gz MFWOVMGIOIXWOT-CABZTGNLSA-N 0 0 212.720 3.666 10 0 BHAERN CC(C)[C@@H](C)[C@@H](O)c1ccccc1Cl ZINC000168883828 357968856 /nfs/dbraw/zinc/96/88/56/357968856.db2.gz MFWOVMGIOIXWOT-BXKDBHETSA-N 0 0 212.720 3.666 10 0 BHAERN CC(C)[C@H](C)[C@@H](O)c1ccccc1Cl ZINC000168883915 357968707 /nfs/dbraw/zinc/96/87/07/357968707.db2.gz MFWOVMGIOIXWOT-JOYOIKCWSA-N 0 0 212.720 3.666 10 0 BHAERN CCC(C)(C)[C@H](O)c1ccccc1Cl ZINC000168887037 357974026 /nfs/dbraw/zinc/97/40/26/357974026.db2.gz WRYJQPYBQQBHTA-LLVKDONJSA-N 0 0 212.720 3.810 10 0 BHAERN CCC(C)(C)[C@@H](O)c1ccccc1Cl ZINC000168887135 357973818 /nfs/dbraw/zinc/97/38/18/357973818.db2.gz WRYJQPYBQQBHTA-NSHDSACASA-N 0 0 212.720 3.810 10 0 BHAERN Nc1ccc2ccccc2c1-c1cccc(CO)c1 ZINC000168909834 347405520 /nfs/dbraw/zinc/40/55/20/347405520.db2.gz NRRGRDJNKMTYQT-UHFFFAOYSA-N 0 0 249.313 3.581 10 0 BHAERN CC[C@@H](C)Nc1cc(C)ccc1Br ZINC000169045239 358094109 /nfs/dbraw/zinc/09/41/09/358094109.db2.gz HMXUQNVWMVREEI-SECBINFHSA-N 0 0 242.160 3.968 10 0 BHAERN CC[C@H](C)Nc1cc(C)ccc1Br ZINC000169045322 358093713 /nfs/dbraw/zinc/09/37/13/358093713.db2.gz HMXUQNVWMVREEI-VIFPVBQESA-N 0 0 242.160 3.968 10 0 BHAERN Cc1cc2c(cc1C)C(=O)CC1(CCCC1)O2 ZINC000169060592 488198459 /nfs/dbraw/zinc/19/84/59/488198459.db2.gz JSQUHJIMOJCQSA-UHFFFAOYSA-N 0 0 230.307 3.581 10 0 BHAERN CCOC(=O)[C@H](c1cccs1)C1CCCC1 ZINC000169093649 345835964 /nfs/dbraw/zinc/83/59/64/345835964.db2.gz OMEOXJMSZJNMIG-LBPRGKRZSA-N 0 0 238.352 3.585 10 0 BHAERN CCOC(=O)[C@@H](c1cccs1)C1CCCC1 ZINC000169093738 345835950 /nfs/dbraw/zinc/83/59/50/345835950.db2.gz OMEOXJMSZJNMIG-GFCCVEGCSA-N 0 0 238.352 3.585 10 0 BHAERN CCc1cc(Cl)c2ccc(F)cc2n1 ZINC000169110810 358938844 /nfs/dbraw/zinc/93/88/44/358938844.db2.gz WHESELRNIGOTJG-UHFFFAOYSA-N 0 0 209.651 3.590 10 0 BHAERN Cc1cc2c(Cl)c(C)c(C)nc2cc1F ZINC000169112239 359072158 /nfs/dbraw/zinc/07/21/58/359072158.db2.gz KPXMETHRRYOTAW-UHFFFAOYSA-N 0 0 223.678 3.953 10 0 BHAERN COc1cccnc1N[C@H](C)c1ccccc1C ZINC000169141619 538947019 /nfs/dbraw/zinc/94/70/19/538947019.db2.gz BCBAOYKHCNVQPW-GFCCVEGCSA-N 0 0 242.322 3.572 10 0 BHAERN COc1cccnc1N[C@@H](C)c1ccccc1C ZINC000169141692 538947097 /nfs/dbraw/zinc/94/70/97/538947097.db2.gz BCBAOYKHCNVQPW-LBPRGKRZSA-N 0 0 242.322 3.572 10 0 BHAERN Fc1cc2nc(Cl)ccc2cc1Cl ZINC000169145066 359356976 /nfs/dbraw/zinc/35/69/76/359356976.db2.gz URRMBJOYCYXWEU-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN CCCCO/C=C\c1nc(Cl)ncc1Cl ZINC000169145461 343623845 /nfs/dbraw/zinc/62/38/45/343623845.db2.gz MCKAZCQKSORSST-XQRVVYSFSA-N 0 0 247.125 3.571 10 0 BHAERN CC[C@@H](C)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000169159800 359444531 /nfs/dbraw/zinc/44/45/31/359444531.db2.gz AHQDUDMEQGLYRA-MRVPVSSYSA-N 0 0 246.228 3.814 10 0 BHAERN CC[C@H](C)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000169159891 359444885 /nfs/dbraw/zinc/44/48/85/359444885.db2.gz AHQDUDMEQGLYRA-QMMMGPOBSA-N 0 0 246.228 3.814 10 0 BHAERN CCN1c2ccccc2CC[C@H]1C(C)(C)C ZINC000169218781 359800458 /nfs/dbraw/zinc/80/04/58/359800458.db2.gz PHRLPSDMTXUMNT-AWEZNQCLSA-N 0 0 217.356 3.874 10 0 BHAERN CCC(CC)C(=O)c1ccc(Cl)c(OC)c1 ZINC000169239353 359878263 /nfs/dbraw/zinc/87/82/63/359878263.db2.gz JDHWNWYRTSRTEI-UHFFFAOYSA-N 0 0 240.730 3.968 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(Cl)c(OC)c1 ZINC000169239532 359878373 /nfs/dbraw/zinc/87/83/73/359878373.db2.gz AHPGXOWTWNQOEZ-SECBINFHSA-N 0 0 240.730 3.968 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(Cl)c(OC)c1 ZINC000169239607 359878304 /nfs/dbraw/zinc/87/83/04/359878304.db2.gz AHPGXOWTWNQOEZ-VIFPVBQESA-N 0 0 240.730 3.968 10 0 BHAERN CCC(C)(C)C(=O)c1ccc(Cl)c(OC)c1 ZINC000169243296 345446548 /nfs/dbraw/zinc/44/65/48/345446548.db2.gz MZWGJVULFJSHFQ-UHFFFAOYSA-N 0 0 240.730 3.968 10 0 BHAERN CC(C)(C)C(=O)Cc1cccc(Cl)c1F ZINC000169277175 360046137 /nfs/dbraw/zinc/04/61/37/360046137.db2.gz BRSFLTVQMMIBET-UHFFFAOYSA-N 0 0 228.694 3.637 10 0 BHAERN Cc1ncc(-c2ccccc2)c(C(C)(C)C)n1 ZINC000169318175 180121442 /nfs/dbraw/zinc/12/14/42/180121442.db2.gz USMPRQQBRZOPNV-UHFFFAOYSA-N 0 0 226.323 3.750 10 0 BHAERN CC(C)(C)c1ccnc(Nc2ccccc2)n1 ZINC000169318545 385029786 /nfs/dbraw/zinc/02/97/86/385029786.db2.gz FBVDKBASHILIEH-UHFFFAOYSA-N 0 0 227.311 3.518 10 0 BHAERN Cc1nc(-c2ccccc2)nnc1-c1ccccc1 ZINC000169318576 179867199 /nfs/dbraw/zinc/86/71/99/179867199.db2.gz QSZUADMAZLYLEU-UHFFFAOYSA-N 0 0 247.301 3.514 10 0 BHAERN Fc1ccc(Oc2nccc3[nH]ccc32)c(F)c1 ZINC000169332145 384673568 /nfs/dbraw/zinc/67/35/68/384673568.db2.gz RELPPOJGGXOECP-UHFFFAOYSA-N 0 0 246.216 3.633 10 0 BHAERN COc1ccc2cc(C[C@@H](C)C(C)=O)ccc2c1 ZINC000169333125 175224638 /nfs/dbraw/zinc/22/46/38/175224638.db2.gz QDMDJZDSBXQKRZ-LLVKDONJSA-N 0 0 242.318 3.616 10 0 BHAERN COc1ccc2cc(C[C@H](C)C(C)=O)ccc2c1 ZINC000169333127 175224407 /nfs/dbraw/zinc/22/44/07/175224407.db2.gz QDMDJZDSBXQKRZ-NSHDSACASA-N 0 0 242.318 3.616 10 0 BHAERN CCC(=O)CCc1ccc2cc(OC)ccc2c1 ZINC000169333130 168204758 /nfs/dbraw/zinc/20/47/58/168204758.db2.gz HYMWBSZUXLKYLD-UHFFFAOYSA-N 0 0 242.318 3.760 10 0 BHAERN COc1ccc2cc(CCC(C)(C)O)ccc2c1 ZINC000169333132 175224278 /nfs/dbraw/zinc/22/42/78/175224278.db2.gz CRWSFHXLRDSFBB-UHFFFAOYSA-N 0 0 244.334 3.552 10 0 BHAERN CCOc1ccc2cc(CCC(C)=O)ccc2c1 ZINC000169333145 170570255 /nfs/dbraw/zinc/57/02/55/170570255.db2.gz RYQMUNCPUATTKU-UHFFFAOYSA-N 0 0 242.318 3.760 10 0 BHAERN CC(=O)CCc1ccc2cc(C)ccc2c1 ZINC000169333150 187303639 /nfs/dbraw/zinc/30/36/39/187303639.db2.gz QYHCIDHESNJSOD-UHFFFAOYSA-N 0 0 212.292 3.670 10 0 BHAERN CCCCCOc1ccc(C(=O)CC)c(O)c1 ZINC000169344748 384673324 /nfs/dbraw/zinc/67/33/24/384673324.db2.gz UDBUEJNWSOHJQD-UHFFFAOYSA-N 0 0 236.311 3.554 10 0 BHAERN c1ccc(C2=NSc3ccccc3N2)cc1 ZINC000169386712 183389527 /nfs/dbraw/zinc/38/95/27/183389527.db2.gz URXTUTDZZIQZKQ-UHFFFAOYSA-N 0 0 226.304 3.566 10 0 BHAERN CC(=O)C=C(C)Nc1c(Cl)cccc1Cl ZINC000169610170 346766440 /nfs/dbraw/zinc/76/64/40/346766440.db2.gz BPTHZHYLGBVUSA-VOTSOKGWSA-N 0 0 244.121 3.898 10 0 BHAERN CC(C)(C)P(n1ccnc1)C(C)(C)C ZINC000169649203 410520029 /nfs/dbraw/zinc/52/00/29/410520029.db2.gz LKIHMCYSYKCLMK-UHFFFAOYSA-N 0 0 212.277 3.725 10 0 BHAERN ClC1(Cl)[C@@H]2C[C@H]3[C@@H](C[C@@H]21)C3(Cl)Cl ZINC000169682955 385417353 /nfs/dbraw/zinc/41/73/53/385417353.db2.gz XITQFTQFRMDRMD-GUCUJZIJSA-N 0 0 245.964 3.620 10 0 BHAERN C[Si](C)(C)C1(Cl)[C@@H]2CCCC[C@@H]21 ZINC000169806145 188338952 /nfs/dbraw/zinc/33/89/52/188338952.db2.gz QUVSFLPVWFIKGB-ULKQDVFKSA-N 0 0 202.801 3.661 10 0 BHAERN Cc1cccc(C(C)C)c1NC(=O)N[C@@H]1C[C@@H]1C ZINC000170821951 187304040 /nfs/dbraw/zinc/30/40/40/187304040.db2.gz DNLKMJKYTXELBQ-WCQYABFASA-N 0 0 246.354 3.648 10 0 BHAERN Cc1cccc(C(C)C)c1NC(=O)N[C@H]1C[C@@H]1C ZINC000170821953 188162069 /nfs/dbraw/zinc/16/20/69/188162069.db2.gz DNLKMJKYTXELBQ-AAEUAGOBSA-N 0 0 246.354 3.648 10 0 BHAERN Cc1cccc(C(C)C)c1NC(=O)N[C@H]1C[C@H]1C ZINC000170821957 385449595 /nfs/dbraw/zinc/44/95/95/385449595.db2.gz DNLKMJKYTXELBQ-YPMHNXCESA-N 0 0 246.354 3.648 10 0 BHAERN CCN(C)C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000171003395 385462779 /nfs/dbraw/zinc/46/27/79/385462779.db2.gz UETGIWAIUGTECS-LBPRGKRZSA-N 0 0 248.370 3.532 10 0 BHAERN CCN(C)C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000171003396 385462231 /nfs/dbraw/zinc/46/22/31/385462231.db2.gz UETGIWAIUGTECS-GFCCVEGCSA-N 0 0 248.370 3.532 10 0 BHAERN CCn1ccnc1CSc1ccc(C)cc1 ZINC000171351479 365192139 /nfs/dbraw/zinc/19/21/39/365192139.db2.gz WYGOFFOMGDVWOU-UHFFFAOYSA-N 0 0 232.352 3.504 10 0 BHAERN CC/C=C(\C)C(=O)O[C@@H](C)c1cccs1 ZINC000171532766 640990487 /nfs/dbraw/zinc/99/04/87/640990487.db2.gz UOOTZPLIISSOIH-ZKXNXJMVSA-N 0 0 224.325 3.709 10 0 BHAERN CC/C=C(\C)C(=O)O[C@H](C)c1cccs1 ZINC000171532771 640989993 /nfs/dbraw/zinc/98/99/93/640989993.db2.gz UOOTZPLIISSOIH-OLKPEBQYSA-N 0 0 224.325 3.709 10 0 BHAERN CC(C)n1ccnc1CSC1CCCC1 ZINC000171677343 167776557 /nfs/dbraw/zinc/77/65/57/167776557.db2.gz DWOJMOSKRNHMAZ-UHFFFAOYSA-N 0 0 224.373 3.640 10 0 BHAERN CCn1ccnc1CSCC1CCCCC1 ZINC000171753340 134260864 /nfs/dbraw/zinc/26/08/64/134260864.db2.gz ZGXDRROIUSRIFL-UHFFFAOYSA-N 0 0 238.400 3.717 10 0 BHAERN C[C@H](NC(=O)CC1=CCCCC1)c1cccs1 ZINC000171756358 350101066 /nfs/dbraw/zinc/10/10/66/350101066.db2.gz VINUAOFQPIFKAW-NSHDSACASA-N 0 0 249.379 3.816 10 0 BHAERN C[C@@H](NC(=O)CC1=CCCCC1)c1cccs1 ZINC000171756361 372756589 /nfs/dbraw/zinc/75/65/89/372756589.db2.gz VINUAOFQPIFKAW-LLVKDONJSA-N 0 0 249.379 3.816 10 0 BHAERN CC(C)[C@@H](C)C(=O)O[C@@H](C)c1cccs1 ZINC000172024938 641029045 /nfs/dbraw/zinc/02/90/45/641029045.db2.gz RHKFFSRAXCRMKX-ZJUUUORDSA-N 0 0 226.341 3.644 10 0 BHAERN CC(C)[C@H](C)C(=O)O[C@@H](C)c1cccs1 ZINC000172024945 641029005 /nfs/dbraw/zinc/02/90/05/641029005.db2.gz RHKFFSRAXCRMKX-UWVGGRQHSA-N 0 0 226.341 3.644 10 0 BHAERN CC(C)[C@@H](C)C(=O)O[C@H](C)c1cccs1 ZINC000172024949 641028353 /nfs/dbraw/zinc/02/83/53/641028353.db2.gz RHKFFSRAXCRMKX-NXEZZACHSA-N 0 0 226.341 3.644 10 0 BHAERN CC(C)[C@H](C)C(=O)O[C@H](C)c1cccs1 ZINC000172024954 641028614 /nfs/dbraw/zinc/02/86/14/641028614.db2.gz RHKFFSRAXCRMKX-VHSXEESVSA-N 0 0 226.341 3.644 10 0 BHAERN Cc1cccc([C@@H](C)OC(=O)CC(F)(F)F)c1 ZINC000172431185 179183745 /nfs/dbraw/zinc/18/37/45/179183745.db2.gz QDSSUVAOJDLOGP-SECBINFHSA-N 0 0 246.228 3.552 10 0 BHAERN CCCCCC[C@@H](C)C(=O)N[C@@H](C)C1CC1 ZINC000172695675 641098608 /nfs/dbraw/zinc/09/86/08/641098608.db2.gz YKVZNFNVTXYXPS-NEPJUHHUSA-N 0 0 225.376 3.508 10 0 BHAERN CCCCCC[C@H](C)C(=O)N[C@@H](C)C1CC1 ZINC000172695679 641097516 /nfs/dbraw/zinc/09/75/16/641097516.db2.gz YKVZNFNVTXYXPS-RYUDHWBXSA-N 0 0 225.376 3.508 10 0 BHAERN CC(C)[C@@H](C)NC(=O)C1CCCCCCC1 ZINC000172708389 641102906 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/nfs/dbraw/zinc/72/90/07/642729007.db2.gz OIMZPHVRRKXZNQ-NEPJUHHUSA-N 0 0 225.376 3.508 10 0 BHAERN CCn1ccnc1CSCCCC(C)C ZINC000180094286 366374657 /nfs/dbraw/zinc/37/46/57/366374657.db2.gz IPBHBLIVZMUKHW-UHFFFAOYSA-N 0 0 226.389 3.572 10 0 BHAERN CC(C)[C@@H](C)NC(=O)C1(C)CCCCCC1 ZINC000180289356 384452238 /nfs/dbraw/zinc/45/22/38/384452238.db2.gz DJLRZLQJMXCUBH-GFCCVEGCSA-N 0 0 225.376 3.508 10 0 BHAERN CC(C)[C@H](C)NC(=O)C1(C)CCCCCC1 ZINC000180289373 384452183 /nfs/dbraw/zinc/45/21/83/384452183.db2.gz DJLRZLQJMXCUBH-LBPRGKRZSA-N 0 0 225.376 3.508 10 0 BHAERN CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000180581307 134329707 /nfs/dbraw/zinc/32/97/07/134329707.db2.gz GXZKUJUBDBCLNY-YNEHKIRRSA-N 0 0 249.354 3.625 10 0 BHAERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000180581337 134329573 /nfs/dbraw/zinc/32/95/73/134329573.db2.gz GXZKUJUBDBCLNY-RWMBFGLXSA-N 0 0 249.354 3.625 10 0 BHAERN CC(=O)c1ccc(N[C@@H](C)c2cccs2)nc1 ZINC000180963804 134332297 /nfs/dbraw/zinc/33/22/97/134332297.db2.gz YMKMOMGUPCTCOE-VIFPVBQESA-N 0 0 246.335 3.519 10 0 BHAERN CC(=O)c1ccc(N[C@H](C)c2cccs2)nc1 ZINC000180963824 134332546 /nfs/dbraw/zinc/33/25/46/134332546.db2.gz YMKMOMGUPCTCOE-SECBINFHSA-N 0 0 246.335 3.519 10 0 BHAERN C[C@@H](C(=O)O[C@@H](C)C1CCC1)c1ccccc1 ZINC000181572628 642883807 /nfs/dbraw/zinc/88/38/07/642883807.db2.gz VNYOCGJCMXQGEJ-NEPJUHHUSA-N 0 0 232.323 3.522 10 0 BHAERN C[C@@H](C(=O)O[C@H](C)C1CCC1)c1ccccc1 ZINC000181572647 633918839 /nfs/dbraw/zinc/91/88/39/633918839.db2.gz VNYOCGJCMXQGEJ-VXGBXAGGSA-N 0 0 232.323 3.522 10 0 BHAERN C[C@H](C(=O)O[C@@H](C)C1CCC1)c1ccccc1 ZINC000181572752 642883815 /nfs/dbraw/zinc/88/38/15/642883815.db2.gz VNYOCGJCMXQGEJ-RYUDHWBXSA-N 0 0 232.323 3.522 10 0 BHAERN C[C@@H](OC(=O)[C@@H](C)c1ccccc1)C1CCC1 ZINC000181572772 642884461 /nfs/dbraw/zinc/88/44/61/642884461.db2.gz VNYOCGJCMXQGEJ-NWDGAFQWSA-N 0 0 232.323 3.522 10 0 BHAERN CCCCC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182216653 259378213 /nfs/dbraw/zinc/37/82/13/259378213.db2.gz SZLPZFSAMBSLEQ-LRDDRELGSA-N 0 0 245.366 3.535 10 0 BHAERN CCCCC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000182216688 259378070 /nfs/dbraw/zinc/37/80/70/259378070.db2.gz SZLPZFSAMBSLEQ-WBMJQRKESA-N 0 0 245.366 3.535 10 0 BHAERN CCCCC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182216706 259378074 /nfs/dbraw/zinc/37/80/74/259378074.db2.gz SZLPZFSAMBSLEQ-MLGOLLRUSA-N 0 0 245.366 3.535 10 0 BHAERN C[C@@H]1C[C@H](C(=O)NC2CCCC2)CC(C)(C)C1 ZINC000182300638 350590186 /nfs/dbraw/zinc/59/01/86/350590186.db2.gz GGELNIUXJXRJLW-NEPJUHHUSA-N 0 0 237.387 3.508 10 0 BHAERN C[C@H]1C[C@H](C(=O)NC2CCCC2)CC(C)(C)C1 ZINC000182300658 350590152 /nfs/dbraw/zinc/59/01/52/350590152.db2.gz GGELNIUXJXRJLW-RYUDHWBXSA-N 0 0 237.387 3.508 10 0 BHAERN C[C@@H]1C[C@@H](C(=O)NC2CCCC2)CC(C)(C)C1 ZINC000182300674 350590045 /nfs/dbraw/zinc/59/00/45/350590045.db2.gz GGELNIUXJXRJLW-VXGBXAGGSA-N 0 0 237.387 3.508 10 0 BHAERN C[C@H]1C[C@@H](C(=O)NC2CCCC2)CC(C)(C)C1 ZINC000182300693 350590112 /nfs/dbraw/zinc/59/01/12/350590112.db2.gz GGELNIUXJXRJLW-NWDGAFQWSA-N 0 0 237.387 3.508 10 0 BHAERN CC(C)n1ccnc1CSCC1CCCC1 ZINC000182357400 366890859 /nfs/dbraw/zinc/89/08/59/366890859.db2.gz SQFNDWBBUBGNQH-UHFFFAOYSA-N 0 0 238.400 3.887 10 0 BHAERN CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000182520254 171360264 /nfs/dbraw/zinc/36/02/64/171360264.db2.gz BDWYTKOZBQTYPD-AXFHLTTASA-N 0 0 239.384 3.608 10 0 BHAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000182520293 171384836 /nfs/dbraw/zinc/38/48/36/171384836.db2.gz BDWYTKOZBQTYPD-DCAQKATOSA-N 0 0 239.384 3.608 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1cncc(F)c1 ZINC000182533296 366915432 /nfs/dbraw/zinc/91/54/32/366915432.db2.gz GTNDKDYCQNUSCW-NSHDSACASA-N 0 0 230.286 3.702 10 0 BHAERN Cc1ccccc1N[C@H](C)c1cncc(F)c1 ZINC000182533313 366915187 /nfs/dbraw/zinc/91/51/87/366915187.db2.gz GTNDKDYCQNUSCW-LLVKDONJSA-N 0 0 230.286 3.702 10 0 BHAERN Cc1ccccc1N[C@@H](C)c1cnn(C(C)C)c1 ZINC000182534282 179306852 /nfs/dbraw/zinc/30/68/52/179306852.db2.gz WLYOMTDFKKRCDY-ZDUSSCGKSA-N 0 0 243.354 3.946 10 0 BHAERN Cc1ccccc1N[C@H](C)c1cnn(C(C)C)c1 ZINC000182534300 179306817 /nfs/dbraw/zinc/30/68/17/179306817.db2.gz WLYOMTDFKKRCDY-CYBMUJFWSA-N 0 0 243.354 3.946 10 0 BHAERN Cc1cccc(F)c1NCc1nccn1C(C)C ZINC000182751390 538964295 /nfs/dbraw/zinc/96/42/95/538964295.db2.gz JMZJULUZGGGCFG-UHFFFAOYSA-N 0 0 247.317 3.524 10 0 BHAERN CCC[C@H](Nc1ccc(C)nc1)c1ccccn1 ZINC000182907955 366956225 /nfs/dbraw/zinc/95/62/25/366956225.db2.gz IFHMZPSYFUVBSR-HNNXBMFYSA-N 0 0 241.338 3.738 10 0 BHAERN CCC[C@@H](Nc1ccc(C)nc1)c1ccccn1 ZINC000182907977 366956551 /nfs/dbraw/zinc/95/65/51/366956551.db2.gz IFHMZPSYFUVBSR-OAHLLOKOSA-N 0 0 241.338 3.738 10 0 BHAERN Cc1ccccc1N[C@@H](C)CC(=O)OC(C)(C)C ZINC000183926856 388572066 /nfs/dbraw/zinc/57/20/66/388572066.db2.gz MWPZMIJLGKHLRN-LBPRGKRZSA-N 0 0 249.354 3.527 10 0 BHAERN Cc1ccccc1N[C@H](C)CC(=O)OC(C)(C)C ZINC000183926876 388572881 /nfs/dbraw/zinc/57/28/81/388572881.db2.gz MWPZMIJLGKHLRN-GFCCVEGCSA-N 0 0 249.354 3.527 10 0 BHAERN C[C@@H]1C[C@H](C(=O)NC2(C)CCC2)CC(C)(C)C1 ZINC000184343842 134362797 /nfs/dbraw/zinc/36/27/97/134362797.db2.gz RJCXJNNNRCZPTE-NEPJUHHUSA-N 0 0 237.387 3.508 10 0 BHAERN C[C@H]1C[C@H](C(=O)NC2(C)CCC2)CC(C)(C)C1 ZINC000184343859 134362860 /nfs/dbraw/zinc/36/28/60/134362860.db2.gz RJCXJNNNRCZPTE-RYUDHWBXSA-N 0 0 237.387 3.508 10 0 BHAERN C[C@@H]1C[C@@H](C(=O)NC2(C)CCC2)CC(C)(C)C1 ZINC000184343874 134362815 /nfs/dbraw/zinc/36/28/15/134362815.db2.gz RJCXJNNNRCZPTE-VXGBXAGGSA-N 0 0 237.387 3.508 10 0 BHAERN C[C@H]1C[C@@H](C(=O)NC2(C)CCC2)CC(C)(C)C1 ZINC000184343893 134362836 /nfs/dbraw/zinc/36/28/36/134362836.db2.gz RJCXJNNNRCZPTE-NWDGAFQWSA-N 0 0 237.387 3.508 10 0 BHAERN CC/C=C/CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000184396249 388576543 /nfs/dbraw/zinc/57/65/43/388576543.db2.gz LXJOUUREGIKMKE-UFFNRZRYSA-N 0 0 235.293 3.617 10 0 BHAERN Cc1cncc([C@H](C)Nc2ccccc2C)c1 ZINC000184432610 384603776 /nfs/dbraw/zinc/60/37/76/384603776.db2.gz XFFQJKPFZZXGPM-ZDUSSCGKSA-N 0 0 226.323 3.872 10 0 BHAERN Cc1cncc([C@@H](C)Nc2ccccc2C)c1 ZINC000184432625 384605954 /nfs/dbraw/zinc/60/59/54/384605954.db2.gz XFFQJKPFZZXGPM-CYBMUJFWSA-N 0 0 226.323 3.872 10 0 BHAERN C/C(=C\C(C)(C)C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000184844656 188346404 /nfs/dbraw/zinc/34/64/04/188346404.db2.gz BPNNXRDVJBLPPY-BZYZDCJZSA-N 0 0 249.354 3.758 10 0 BHAERN C/C(=C\C(C)(C)C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000184844674 384657691 /nfs/dbraw/zinc/65/76/91/384657691.db2.gz BPNNXRDVJBLPPY-VMPCVLLUSA-N 0 0 249.354 3.758 10 0 BHAERN CCC(C)(CC)C(=O)N[C@@H](C)c1cccs1 ZINC000184937101 538969593 /nfs/dbraw/zinc/96/95/93/538969593.db2.gz BZKDMNPWIMJFHD-JTQLQIEISA-N 0 0 239.384 3.752 10 0 BHAERN CCC(C)(CC)C(=O)N[C@H](C)c1cccs1 ZINC000184937119 538969343 /nfs/dbraw/zinc/96/93/43/538969343.db2.gz BZKDMNPWIMJFHD-SNVBAGLBSA-N 0 0 239.384 3.752 10 0 BHAERN Cc1oc2ccccc2c1C(=O)N[C@@H](C)C(C)C ZINC000184937982 134371225 /nfs/dbraw/zinc/37/12/25/134371225.db2.gz QTRIBSXTSMJIOT-JTQLQIEISA-N 0 0 245.322 3.516 10 0 BHAERN Cc1oc2ccccc2c1C(=O)N[C@H](C)C(C)C ZINC000184938000 134371247 /nfs/dbraw/zinc/37/12/47/134371247.db2.gz QTRIBSXTSMJIOT-SNVBAGLBSA-N 0 0 245.322 3.516 10 0 BHAERN CC(C)C[C@@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000185024562 384672433 /nfs/dbraw/zinc/67/24/33/384672433.db2.gz MPNJCQJTPDDVSO-MNOVXSKESA-N 0 0 239.384 3.608 10 0 BHAERN CC(C)C[C@H](C)C(=O)N[C@@H](C)c1cccs1 ZINC000185024581 384672407 /nfs/dbraw/zinc/67/24/07/384672407.db2.gz MPNJCQJTPDDVSO-QWRGUYRKSA-N 0 0 239.384 3.608 10 0 BHAERN CC(C)C[C@@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000185024600 384674258 /nfs/dbraw/zinc/67/42/58/384674258.db2.gz MPNJCQJTPDDVSO-GHMZBOCLSA-N 0 0 239.384 3.608 10 0 BHAERN CC(C)C[C@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000185024617 188346951 /nfs/dbraw/zinc/34/69/51/188346951.db2.gz MPNJCQJTPDDVSO-WDEREUQCSA-N 0 0 239.384 3.608 10 0 BHAERN C[C@H](NC(=O)C1=CCCCCC1)c1cccs1 ZINC000185195402 538969995 /nfs/dbraw/zinc/96/99/95/538969995.db2.gz IVGBANPFTXXZOW-NSHDSACASA-N 0 0 249.379 3.816 10 0 BHAERN Cc1ccc([C@@H](C)NC(=O)C2=CCCCCC2)o1 ZINC000185319676 384700890 /nfs/dbraw/zinc/70/08/90/384700890.db2.gz ZYWHSBBSJVTPHN-GFCCVEGCSA-N 0 0 247.338 3.656 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)C2=CCCCCC2)o1 ZINC000185319694 347197108 /nfs/dbraw/zinc/19/71/08/347197108.db2.gz ZYWHSBBSJVTPHN-LBPRGKRZSA-N 0 0 247.338 3.656 10 0 BHAERN CC(C)C[C@@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000185372883 134377173 /nfs/dbraw/zinc/37/71/73/134377173.db2.gz CUSFDIUDOFZVEF-CHWSQXEVSA-N 0 0 249.354 3.625 10 0 BHAERN CC(C)C[C@H](C)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000185372897 134377254 /nfs/dbraw/zinc/37/72/54/134377254.db2.gz CUSFDIUDOFZVEF-QWHCGFSZSA-N 0 0 249.354 3.625 10 0 BHAERN CC(C)C[C@@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000185372913 134377106 /nfs/dbraw/zinc/37/71/06/134377106.db2.gz CUSFDIUDOFZVEF-OLZOCXBDSA-N 0 0 249.354 3.625 10 0 BHAERN CC(C)C[C@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000185372931 134377273 /nfs/dbraw/zinc/37/72/73/134377273.db2.gz CUSFDIUDOFZVEF-STQMWFEESA-N 0 0 249.354 3.625 10 0 BHAERN CCC1(C(=O)N[C@@H](C)C(C)C)CCCCC1 ZINC000185518263 388588720 /nfs/dbraw/zinc/58/87/20/388588720.db2.gz PVJHJLVEPBCVID-LBPRGKRZSA-N 0 0 225.376 3.508 10 0 BHAERN CCC1(C(=O)N[C@H](C)C(C)C)CCCCC1 ZINC000185518277 388588464 /nfs/dbraw/zinc/58/84/64/388588464.db2.gz PVJHJLVEPBCVID-GFCCVEGCSA-N 0 0 225.376 3.508 10 0 BHAERN CCCCCCSCc1nccn1CC ZINC000185567425 643337247 /nfs/dbraw/zinc/33/72/47/643337247.db2.gz VKKVEFGLRYRXKT-UHFFFAOYSA-N 0 0 226.389 3.717 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)C[C@@H]2CCC[C@@H]2C)o1 ZINC000185876859 256859239 /nfs/dbraw/zinc/85/92/39/256859239.db2.gz YFEPOZZSXFUGIF-DRZSPHRISA-N 0 0 249.354 3.592 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)C[C@H]2CCC[C@@H]2C)o1 ZINC000185876895 388592669 /nfs/dbraw/zinc/59/26/69/388592669.db2.gz YFEPOZZSXFUGIF-WCFLWFBJSA-N 0 0 249.354 3.592 10 0 BHAERN C=C(C)C[C@H](C)C(=O)O[C@@H](C)c1cccs1 ZINC000186240066 643670363 /nfs/dbraw/zinc/67/03/63/643670363.db2.gz GFPBRCLRCWUMGE-QWRGUYRKSA-N 0 0 238.352 3.955 10 0 BHAERN C=C(C)C[C@@H](C)C(=O)O[C@@H](C)c1cccs1 ZINC000186240083 643669359 /nfs/dbraw/zinc/66/93/59/643669359.db2.gz GFPBRCLRCWUMGE-MNOVXSKESA-N 0 0 238.352 3.955 10 0 BHAERN C=C(C)C[C@H](C)C(=O)O[C@H](C)c1cccs1 ZINC000186240098 643670949 /nfs/dbraw/zinc/67/09/49/643670949.db2.gz GFPBRCLRCWUMGE-WDEREUQCSA-N 0 0 238.352 3.955 10 0 BHAERN C=C(C)C[C@@H](C)C(=O)O[C@H](C)c1cccs1 ZINC000186240119 643670060 /nfs/dbraw/zinc/67/00/60/643670060.db2.gz GFPBRCLRCWUMGE-GHMZBOCLSA-N 0 0 238.352 3.955 10 0 BHAERN C[C@H](O)c1cccc(OCCC2CCCC2)c1 ZINC000187171562 644448169 /nfs/dbraw/zinc/44/81/69/644448169.db2.gz TVTPTNYHKBTVKR-LBPRGKRZSA-N 0 0 234.339 3.699 10 0 BHAERN C[C@@H](O)c1cccc(OCCC2CCCC2)c1 ZINC000187171577 644449343 /nfs/dbraw/zinc/44/93/43/644449343.db2.gz TVTPTNYHKBTVKR-GFCCVEGCSA-N 0 0 234.339 3.699 10 0 BHAERN Cc1cc(C(=O)O[C@@H](C)c2cccs2)co1 ZINC000187366839 645698043 /nfs/dbraw/zinc/69/80/43/645698043.db2.gz AGRQGWWWEIEGAZ-VIFPVBQESA-N 0 0 236.292 3.568 10 0 BHAERN Cc1cc(C(=O)O[C@H](C)c2cccs2)co1 ZINC000187366858 634104534 /nfs/dbraw/zinc/10/45/34/634104534.db2.gz AGRQGWWWEIEGAZ-SECBINFHSA-N 0 0 236.292 3.568 10 0 BHAERN CC(C)[C@@H]1C[C@@H]1C(=O)O[C@@H](C)c1cccs1 ZINC000187428644 634106237 /nfs/dbraw/zinc/10/62/37/634106237.db2.gz NBFBKBCWKQZGTM-DCAQKATOSA-N 0 0 238.352 3.644 10 0 BHAERN CC(C)[C@H]1C[C@@H]1C(=O)O[C@@H](C)c1cccs1 ZINC000187428663 640572075 /nfs/dbraw/zinc/57/20/75/640572075.db2.gz NBFBKBCWKQZGTM-AXFHLTTASA-N 0 0 238.352 3.644 10 0 BHAERN CC(C)[C@@H]1C[C@H]1C(=O)O[C@@H](C)c1cccs1 ZINC000187428677 634105676 /nfs/dbraw/zinc/10/56/76/634105676.db2.gz NBFBKBCWKQZGTM-GARJFASQSA-N 0 0 238.352 3.644 10 0 BHAERN CC(C)[C@H]1C[C@H]1C(=O)O[C@@H](C)c1cccs1 ZINC000187428698 640573676 /nfs/dbraw/zinc/57/36/76/640573676.db2.gz NBFBKBCWKQZGTM-HBNTYKKESA-N 0 0 238.352 3.644 10 0 BHAERN CCn1ccnc1CSCCC(C)(C)C ZINC000187506725 386557784 /nfs/dbraw/zinc/55/77/84/386557784.db2.gz IQMRPMKFXQCNLK-UHFFFAOYSA-N 0 0 226.389 3.572 10 0 BHAERN CC[C@H](C)CC(=O)NC1CCC(CC)CC1 ZINC000188145076 259374284 /nfs/dbraw/zinc/37/42/84/259374284.db2.gz UHZKEOBPLFVBLZ-HIFPTAJRSA-N 0 0 225.376 3.508 10 0 BHAERN CC[C@@H](C)CC(=O)NC1CCC(CC)CC1 ZINC000188145102 259374301 /nfs/dbraw/zinc/37/43/01/259374301.db2.gz UHZKEOBPLFVBLZ-PNESKVBLSA-N 0 0 225.376 3.508 10 0 BHAERN C/C=C(\CC)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000188188187 641749528 /nfs/dbraw/zinc/74/95/28/641749528.db2.gz TYYWTDJCWNEDIR-FIJZOYEMSA-N 0 0 249.329 3.668 10 0 BHAERN CC(C)c1ccccc1NCc1ccc(F)nc1 ZINC000189150963 641791395 /nfs/dbraw/zinc/79/13/95/641791395.db2.gz HAGRXLSDMTWKCB-UHFFFAOYSA-N 0 0 244.313 3.956 10 0 BHAERN C/C=C(\CC)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000189612202 641814514 /nfs/dbraw/zinc/81/45/14/641814514.db2.gz CUJWRBFOIOFQSX-VWBIBIBXSA-N 0 0 245.366 3.783 10 0 BHAERN C/C=C(\CC)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000189775558 641818581 /nfs/dbraw/zinc/81/85/81/641818581.db2.gz VBSVDKBUQQHPIP-NEDLJVEISA-N 0 0 243.350 3.537 10 0 BHAERN C/C=C(\CC)C(=O)N[C@H]1CCCc2ccccc21 ZINC000189775580 641820525 /nfs/dbraw/zinc/82/05/25/641820525.db2.gz VBSVDKBUQQHPIP-COHQTCMYSA-N 0 0 243.350 3.537 10 0 BHAERN C/C=C(\CC)C(=O)N[C@@H](C)c1ccccc1C ZINC000190001570 385202534 /nfs/dbraw/zinc/20/25/34/385202534.db2.gz VYKQNRVZQCKEMG-XASFNGIFSA-N 0 0 231.339 3.529 10 0 BHAERN CC[C@@H](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000190401278 535476380 /nfs/dbraw/zinc/47/63/80/535476380.db2.gz AKLHWWMXVDBVRG-IUODEOHRSA-N 0 0 245.366 3.616 10 0 BHAERN CC[C@H](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000190401299 536119331 /nfs/dbraw/zinc/11/93/31/536119331.db2.gz AKLHWWMXVDBVRG-SWLSCSKDSA-N 0 0 245.366 3.616 10 0 BHAERN CC[C@@H](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000190401316 357705811 /nfs/dbraw/zinc/70/58/11/357705811.db2.gz AKLHWWMXVDBVRG-DOMZBBRYSA-N 0 0 245.366 3.616 10 0 BHAERN CC[C@H](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000190401335 134560558 /nfs/dbraw/zinc/56/05/58/134560558.db2.gz AKLHWWMXVDBVRG-WFASDCNBSA-N 0 0 245.366 3.616 10 0 BHAERN CC[C@@H](C)CC(=O)N[C@@H](C)c1ccccc1C ZINC000190623271 388653919 /nfs/dbraw/zinc/65/39/19/388653919.db2.gz PFMFWSITEQFEGN-YPMHNXCESA-N 0 0 233.355 3.608 10 0 BHAERN CC[C@H](C)CC(=O)N[C@@H](C)c1ccccc1C ZINC000190623292 388654273 /nfs/dbraw/zinc/65/42/73/388654273.db2.gz PFMFWSITEQFEGN-AAEUAGOBSA-N 0 0 233.355 3.608 10 0 BHAERN CC[C@@H](C)CC(=O)N[C@H](C)c1ccccc1C ZINC000190623310 259566503 /nfs/dbraw/zinc/56/65/03/259566503.db2.gz PFMFWSITEQFEGN-DGCLKSJQSA-N 0 0 233.355 3.608 10 0 BHAERN CC[C@H](C)CC(=O)N[C@H](C)c1ccccc1C ZINC000190623333 259336859 /nfs/dbraw/zinc/33/68/59/259336859.db2.gz PFMFWSITEQFEGN-WCQYABFASA-N 0 0 233.355 3.608 10 0 BHAERN C/C=C(\CC)C(=O)O[C@@H](C)c1cccs1 ZINC000191040340 641898468 /nfs/dbraw/zinc/89/84/68/641898468.db2.gz HPBUDOOJNXUQHY-YNYSXPKMSA-N 0 0 224.325 3.709 10 0 BHAERN C/C=C(\CC)C(=O)O[C@H](C)c1cccs1 ZINC000191040357 641898661 /nfs/dbraw/zinc/89/86/61/641898661.db2.gz HPBUDOOJNXUQHY-BZFUBLJMSA-N 0 0 224.325 3.709 10 0 BHAERN CC[C@@H](C)CC(=O)O[C@@H](C)c1cccs1 ZINC000192223248 644138125 /nfs/dbraw/zinc/13/81/25/644138125.db2.gz MALGYHOAEZPFMZ-ZJUUUORDSA-N 0 0 226.341 3.789 10 0 BHAERN CC[C@H](C)CC(=O)O[C@@H](C)c1cccs1 ZINC000192223253 644137943 /nfs/dbraw/zinc/13/79/43/644137943.db2.gz MALGYHOAEZPFMZ-UWVGGRQHSA-N 0 0 226.341 3.789 10 0 BHAERN CC[C@@H](C)CC(=O)O[C@H](C)c1cccs1 ZINC000192223257 644137433 /nfs/dbraw/zinc/13/74/33/644137433.db2.gz MALGYHOAEZPFMZ-NXEZZACHSA-N 0 0 226.341 3.789 10 0 BHAERN CC[C@H](C)CC(=O)O[C@H](C)c1cccs1 ZINC000192223262 644137645 /nfs/dbraw/zinc/13/76/45/644137645.db2.gz MALGYHOAEZPFMZ-VHSXEESVSA-N 0 0 226.341 3.789 10 0 BHAERN CCCCCCC(=O)N[C@@H](C)c1cccs1 ZINC000192558229 644164587 /nfs/dbraw/zinc/16/45/87/644164587.db2.gz ZRFKPXZCTKMWPS-NSHDSACASA-N 0 0 239.384 3.896 10 0 BHAERN CCCCCCC(=O)N[C@H](C)c1cccs1 ZINC000192558241 644164029 /nfs/dbraw/zinc/16/40/29/644164029.db2.gz ZRFKPXZCTKMWPS-LLVKDONJSA-N 0 0 239.384 3.896 10 0 BHAERN CCC(=O)O[C@@H](C)c1ccccc1C(F)(F)F ZINC000192693139 644175990 /nfs/dbraw/zinc/17/59/90/644175990.db2.gz TTYPZJZJZVVYFR-QMMMGPOBSA-N 0 0 246.228 3.720 10 0 BHAERN CCC(=O)O[C@H](C)c1ccccc1C(F)(F)F ZINC000192693154 636942316 /nfs/dbraw/zinc/94/23/16/636942316.db2.gz TTYPZJZJZVVYFR-MRVPVSSYSA-N 0 0 246.228 3.720 10 0 BHAERN CCCc1ccc(NC(=O)N[C@@H](C)C2CC2)cc1 ZINC000192720279 644178650 /nfs/dbraw/zinc/17/86/50/644178650.db2.gz NHDLJBYLOIBGQH-NSHDSACASA-N 0 0 246.354 3.559 10 0 BHAERN Clc1cccc(N2CCC[C@@H]2c2ccco2)n1 ZINC000192794109 644183329 /nfs/dbraw/zinc/18/33/29/644183329.db2.gz KTSIADYQFRDSHH-SNVBAGLBSA-N 0 0 248.713 3.670 10 0 BHAERN Clc1cccc(N2CCC[C@H]2c2ccco2)n1 ZINC000192794122 634252493 /nfs/dbraw/zinc/25/24/93/634252493.db2.gz KTSIADYQFRDSHH-JTQLQIEISA-N 0 0 248.713 3.670 10 0 BHAERN C[C@H](O)c1nc2ccccc2n1CCC(C)(C)C ZINC000192835229 644187867 /nfs/dbraw/zinc/18/78/67/644187867.db2.gz ZVOHQUYTVTVIFX-NSHDSACASA-N 0 0 246.354 3.526 10 0 BHAERN C[C@@H](O)c1nc2ccccc2n1CCC(C)(C)C ZINC000192835240 636403747 /nfs/dbraw/zinc/40/37/47/636403747.db2.gz ZVOHQUYTVTVIFX-LLVKDONJSA-N 0 0 246.354 3.526 10 0 BHAERN C[C@H](NC(=O)CC1CCCC1)c1cccs1 ZINC000193231490 388814392 /nfs/dbraw/zinc/81/43/92/388814392.db2.gz CSOJHRCHDHYQRK-JTQLQIEISA-N 0 0 237.368 3.506 10 0 BHAERN C[C@@H](NC(=O)CC1CCCC1)c1cccs1 ZINC000193231508 388814511 /nfs/dbraw/zinc/81/45/11/388814511.db2.gz CSOJHRCHDHYQRK-SNVBAGLBSA-N 0 0 237.368 3.506 10 0 BHAERN CC[C@H](OC(=O)C(F)F)c1cccc(Cl)c1 ZINC000193636865 644264629 /nfs/dbraw/zinc/26/46/29/644264629.db2.gz FKHHKLXZEXAALT-VIFPVBQESA-N 0 0 248.656 3.599 10 0 BHAERN CC[C@@H](OC(=O)C(F)F)c1cccc(Cl)c1 ZINC000193636883 634284496 /nfs/dbraw/zinc/28/44/96/634284496.db2.gz FKHHKLXZEXAALT-SECBINFHSA-N 0 0 248.656 3.599 10 0 BHAERN CC(C)c1ccc([C@@H](C)OC(=O)C(F)F)cc1 ZINC000193699833 644273317 /nfs/dbraw/zinc/27/33/17/644273317.db2.gz NMVRPCCKLXQWCD-SECBINFHSA-N 0 0 242.265 3.679 10 0 BHAERN CC(C)c1ccc([C@H](C)OC(=O)C(F)F)cc1 ZINC000193699848 644272581 /nfs/dbraw/zinc/27/25/81/644272581.db2.gz NMVRPCCKLXQWCD-VIFPVBQESA-N 0 0 242.265 3.679 10 0 BHAERN C/C(=C\C(=O)N[C@@H](C)c1ccccc1C)C1CC1 ZINC000193706054 644274734 /nfs/dbraw/zinc/27/47/34/644274734.db2.gz AATVZUANLUFANC-XSNHNAGMSA-N 0 0 243.350 3.529 10 0 BHAERN CC/C=C(\C)C(=O)Oc1ccc(SC)cc1 ZINC000194395456 644318531 /nfs/dbraw/zinc/31/85/31/644318531.db2.gz PKUWEVMOOPNLMR-BJMVGYQFSA-N 0 0 236.336 3.670 10 0 BHAERN CC(C)c1ccc([C@@H](C)Nc2cnccn2)cc1 ZINC000194427168 488236829 /nfs/dbraw/zinc/23/68/29/488236829.db2.gz WRBQCFHOOKNYRX-GFCCVEGCSA-N 0 0 241.338 3.773 10 0 BHAERN CC(C)c1ccc([C@H](C)Nc2cnccn2)cc1 ZINC000194427183 488236820 /nfs/dbraw/zinc/23/68/20/488236820.db2.gz WRBQCFHOOKNYRX-LBPRGKRZSA-N 0 0 241.338 3.773 10 0 BHAERN CCC(CC)C(=O)O[C@@H](C)c1cccs1 ZINC000194557529 644328332 /nfs/dbraw/zinc/32/83/32/644328332.db2.gz HFTGGROQCMGAQS-VIFPVBQESA-N 0 0 226.341 3.789 10 0 BHAERN CCCCC(=O)O[C@@H](C)c1cccs1 ZINC000194557942 644327822 /nfs/dbraw/zinc/32/78/22/644327822.db2.gz ARVNDISZPQYFDO-VIFPVBQESA-N 0 0 212.314 3.543 10 0 BHAERN CCCCC(=O)O[C@H](C)c1cccs1 ZINC000194557960 644328133 /nfs/dbraw/zinc/32/81/33/644328133.db2.gz ARVNDISZPQYFDO-SECBINFHSA-N 0 0 212.314 3.543 10 0 BHAERN C[C@H](OC(=O)c1ccsc1)c1cccs1 ZINC000194559629 644329189 /nfs/dbraw/zinc/32/91/89/644329189.db2.gz BJIGWIIGKHLXQE-QMMMGPOBSA-N 0 0 238.333 3.728 10 0 BHAERN C[C@@H](OC(=O)c1ccsc1)c1cccs1 ZINC000194559646 644327885 /nfs/dbraw/zinc/32/78/85/644327885.db2.gz BJIGWIIGKHLXQE-MRVPVSSYSA-N 0 0 238.333 3.728 10 0 BHAERN Cc1occc1C(=O)O[C@@H](C)c1cccs1 ZINC000194559854 644328249 /nfs/dbraw/zinc/32/82/49/644328249.db2.gz XHBTZXMEUFYQAL-VIFPVBQESA-N 0 0 236.292 3.568 10 0 BHAERN Cc1occc1C(=O)O[C@H](C)c1cccs1 ZINC000194559865 644327866 /nfs/dbraw/zinc/32/78/66/644327866.db2.gz XHBTZXMEUFYQAL-SECBINFHSA-N 0 0 236.292 3.568 10 0 BHAERN C[C@H](OC(=O)C[C@H]1C=CCC1)c1cccs1 ZINC000194559941 644329848 /nfs/dbraw/zinc/32/98/48/644329848.db2.gz MQOCVWQQRYUOLW-QWRGUYRKSA-N 0 0 236.336 3.709 10 0 BHAERN C[C@@H](OC(=O)C[C@H]1C=CCC1)c1cccs1 ZINC000194559960 644329809 /nfs/dbraw/zinc/32/98/09/644329809.db2.gz MQOCVWQQRYUOLW-MNOVXSKESA-N 0 0 236.336 3.709 10 0 BHAERN C[C@H](OC(=O)C[C@@H]1C=CCC1)c1cccs1 ZINC000194559978 644328117 /nfs/dbraw/zinc/32/81/17/644328117.db2.gz MQOCVWQQRYUOLW-WDEREUQCSA-N 0 0 236.336 3.709 10 0 BHAERN C[C@@H](OC(=O)C[C@@H]1C=CCC1)c1cccs1 ZINC000194559990 644329291 /nfs/dbraw/zinc/32/92/91/644329291.db2.gz MQOCVWQQRYUOLW-GHMZBOCLSA-N 0 0 236.336 3.709 10 0 BHAERN C[C@H](OC(=O)[C@H]1CC=CCC1)c1cccs1 ZINC000194560720 644329377 /nfs/dbraw/zinc/32/93/77/644329377.db2.gz LBTMCCCGPWAUFL-QWRGUYRKSA-N 0 0 236.336 3.709 10 0 BHAERN C[C@@H](OC(=O)[C@H]1CC=CCC1)c1cccs1 ZINC000194560736 644327736 /nfs/dbraw/zinc/32/77/36/644327736.db2.gz LBTMCCCGPWAUFL-MNOVXSKESA-N 0 0 236.336 3.709 10 0 BHAERN C[C@H](OC(=O)[C@@H]1CC=CCC1)c1cccs1 ZINC000194560749 634395870 /nfs/dbraw/zinc/39/58/70/634395870.db2.gz LBTMCCCGPWAUFL-WDEREUQCSA-N 0 0 236.336 3.709 10 0 BHAERN C[C@@H](OC(=O)[C@@H]1CC=CCC1)c1cccs1 ZINC000194560765 644329540 /nfs/dbraw/zinc/32/95/40/644329540.db2.gz LBTMCCCGPWAUFL-GHMZBOCLSA-N 0 0 236.336 3.709 10 0 BHAERN CC(C)CCC(=O)O[C@@H](C)c1cccs1 ZINC000194560941 644329708 /nfs/dbraw/zinc/32/97/08/644329708.db2.gz ZZHBXFFQWVVQKZ-JTQLQIEISA-N 0 0 226.341 3.789 10 0 BHAERN CC(C)CCC(=O)O[C@H](C)c1cccs1 ZINC000194560951 644329123 /nfs/dbraw/zinc/32/91/23/644329123.db2.gz ZZHBXFFQWVVQKZ-SNVBAGLBSA-N 0 0 226.341 3.789 10 0 BHAERN C[C@H](OC(=O)C1CCCC1)c1cccs1 ZINC000194562651 644328325 /nfs/dbraw/zinc/32/83/25/644328325.db2.gz OTWPOTREPQKIDF-VIFPVBQESA-N 0 0 224.325 3.543 10 0 BHAERN C[C@@H](OC(=O)C1CCCC1)c1cccs1 ZINC000194562663 644328206 /nfs/dbraw/zinc/32/82/06/644328206.db2.gz OTWPOTREPQKIDF-SECBINFHSA-N 0 0 224.325 3.543 10 0 BHAERN C[C@H](OC(=O)c1cccs1)c1cccs1 ZINC000194562756 644328259 /nfs/dbraw/zinc/32/82/59/644328259.db2.gz BIHKGFMDLVSPGC-QMMMGPOBSA-N 0 0 238.333 3.728 10 0 BHAERN C[C@@H](OC(=O)c1cccs1)c1cccs1 ZINC000194562770 644328665 /nfs/dbraw/zinc/32/86/65/644328665.db2.gz BIHKGFMDLVSPGC-MRVPVSSYSA-N 0 0 238.333 3.728 10 0 BHAERN C[C@H](OC(=O)CC(C)(C)C)c1cccs1 ZINC000194562790 644327658 /nfs/dbraw/zinc/32/76/58/644327658.db2.gz DCWGXPOVKQUHOV-VIFPVBQESA-N 0 0 226.341 3.789 10 0 BHAERN C[C@@H](OC(=O)CC(C)(C)C)c1cccs1 ZINC000194562804 644329795 /nfs/dbraw/zinc/32/97/95/644329795.db2.gz DCWGXPOVKQUHOV-SECBINFHSA-N 0 0 226.341 3.789 10 0 BHAERN C[C@H](OC(=O)/C=C/c1ccco1)c1cccs1 ZINC000194563183 644328822 /nfs/dbraw/zinc/32/88/22/644328822.db2.gz UMFQUSJSISMHDC-FGEFZZPRSA-N 0 0 248.303 3.659 10 0 BHAERN C[C@@H](OC(=O)/C=C/c1ccco1)c1cccs1 ZINC000194563202 644328518 /nfs/dbraw/zinc/32/85/18/644328518.db2.gz UMFQUSJSISMHDC-VQCYPWCPSA-N 0 0 248.303 3.659 10 0 BHAERN C[C@H](OC(=O)c1ccccc1)c1cccs1 ZINC000194563266 644328658 /nfs/dbraw/zinc/32/86/58/644328658.db2.gz UZANLMMDKNTZHJ-JTQLQIEISA-N 0 0 232.304 3.666 10 0 BHAERN C[C@@H](OC(=O)c1ccccc1)c1cccs1 ZINC000194563281 644328105 /nfs/dbraw/zinc/32/81/05/644328105.db2.gz UZANLMMDKNTZHJ-SNVBAGLBSA-N 0 0 232.304 3.666 10 0 BHAERN C[C@H](OC(=O)C1CCCCC1)c1cccs1 ZINC000194563345 644329030 /nfs/dbraw/zinc/32/90/30/644329030.db2.gz JAKUCTWQDJBUHW-JTQLQIEISA-N 0 0 238.352 3.933 10 0 BHAERN C[C@@H](OC(=O)C1CCCCC1)c1cccs1 ZINC000194563360 644329344 /nfs/dbraw/zinc/32/93/44/644329344.db2.gz JAKUCTWQDJBUHW-SNVBAGLBSA-N 0 0 238.352 3.933 10 0 BHAERN C/C(=C\C(=O)O[C@@H](C)c1cccs1)C1CC1 ZINC000194566539 644329834 /nfs/dbraw/zinc/32/98/34/644329834.db2.gz DRVJZNHOEHHRMY-DDXVTDLHSA-N 0 0 236.336 3.709 10 0 BHAERN C/C(=C\C(=O)O[C@H](C)c1cccs1)C1CC1 ZINC000194566556 644328193 /nfs/dbraw/zinc/32/81/93/644328193.db2.gz DRVJZNHOEHHRMY-AAXQSMANSA-N 0 0 236.336 3.709 10 0 BHAERN Cc1ccoc1C(=O)O[C@@H](C)c1cccs1 ZINC000194571851 634399087 /nfs/dbraw/zinc/39/90/87/634399087.db2.gz GETULEDWJQMMEJ-VIFPVBQESA-N 0 0 236.292 3.568 10 0 BHAERN Cc1ccoc1C(=O)O[C@H](C)c1cccs1 ZINC000194571866 644327695 /nfs/dbraw/zinc/32/76/95/644327695.db2.gz GETULEDWJQMMEJ-SECBINFHSA-N 0 0 236.292 3.568 10 0 BHAERN C[C@@H]1COCC[C@@H]1Nc1cccc2ccccc21 ZINC000195104145 176342186 /nfs/dbraw/zinc/34/21/86/176342186.db2.gz YAQRWBBWHQEIPL-DOMZBBRYSA-N 0 0 241.334 3.677 10 0 BHAERN C[C@H]1COCC[C@@H]1Nc1cccc2ccccc21 ZINC000195104158 177294895 /nfs/dbraw/zinc/29/48/95/177294895.db2.gz YAQRWBBWHQEIPL-WFASDCNBSA-N 0 0 241.334 3.677 10 0 BHAERN C[C@@H]1COCC[C@H]1Nc1cccc2ccccc21 ZINC000195104172 176345937 /nfs/dbraw/zinc/34/59/37/176345937.db2.gz YAQRWBBWHQEIPL-IUODEOHRSA-N 0 0 241.334 3.677 10 0 BHAERN C[C@H]1COCC[C@H]1Nc1cccc2ccccc21 ZINC000195104181 177297509 /nfs/dbraw/zinc/29/75/09/177297509.db2.gz YAQRWBBWHQEIPL-SWLSCSKDSA-N 0 0 241.334 3.677 10 0 BHAERN CCC[C@@H](C)CC(=O)N[C@@H](C)c1cccs1 ZINC000195215865 388701015 /nfs/dbraw/zinc/70/10/15/388701015.db2.gz KESPQLZSPAIQRP-MNOVXSKESA-N 0 0 239.384 3.752 10 0 BHAERN CCC[C@H](C)CC(=O)N[C@@H](C)c1cccs1 ZINC000195215873 388701029 /nfs/dbraw/zinc/70/10/29/388701029.db2.gz KESPQLZSPAIQRP-QWRGUYRKSA-N 0 0 239.384 3.752 10 0 BHAERN CCC[C@@H](C)CC(=O)N[C@H](C)c1cccs1 ZINC000195215879 388701102 /nfs/dbraw/zinc/70/11/02/388701102.db2.gz KESPQLZSPAIQRP-GHMZBOCLSA-N 0 0 239.384 3.752 10 0 BHAERN CCC[C@H](C)CC(=O)N[C@H](C)c1cccs1 ZINC000195215889 388700659 /nfs/dbraw/zinc/70/06/59/388700659.db2.gz KESPQLZSPAIQRP-WDEREUQCSA-N 0 0 239.384 3.752 10 0 BHAERN CC(C)=CCN1CCCC[C@@H]1c1nccs1 ZINC000195363342 387911957 /nfs/dbraw/zinc/91/19/57/387911957.db2.gz SSYZZBUGMAMNOI-GFCCVEGCSA-N 0 0 236.384 3.636 10 0 BHAERN CC(C)=CCN1CCCC[C@H]1c1nccs1 ZINC000195363348 387911128 /nfs/dbraw/zinc/91/11/28/387911128.db2.gz SSYZZBUGMAMNOI-LBPRGKRZSA-N 0 0 236.384 3.636 10 0 BHAERN CC(C)n1ccnc1CSc1ccccc1 ZINC000195516693 387922232 /nfs/dbraw/zinc/92/22/32/387922232.db2.gz MBORWDKPEUGTJP-UHFFFAOYSA-N 0 0 232.352 3.756 10 0 BHAERN C[Si]1(C)C[Si](C)(C)C[Si](C)(C)C1 ZINC000195753905 177500328 /nfs/dbraw/zinc/50/03/28/177500328.db2.gz ICSWLKDKQBNKAY-UHFFFAOYSA-N 0 0 216.549 3.743 10 0 BHAERN C[Si](C)(C)c1cc(Cl)cc(Cl)c1 ZINC000195756214 353812804 /nfs/dbraw/zinc/81/28/04/353812804.db2.gz JKNUZOSJRLIONU-UHFFFAOYSA-N 0 0 219.187 3.539 10 0 BHAERN C[Si](C)(C)CCOCn1ccc2ccccc21 ZINC000195860458 398056200 /nfs/dbraw/zinc/05/62/00/398056200.db2.gz UEQMIOILACQRNH-UHFFFAOYSA-N 0 0 247.414 3.954 10 0 BHAERN CC(=C\[Si](C)(C)C)/C(=C/[Si](C)(C)C)CO ZINC000195896264 347706305 /nfs/dbraw/zinc/70/63/05/347706305.db2.gz AFOHCZQYFHLLKA-WGDLNXRISA-N 0 0 242.511 3.606 10 0 BHAERN C[Si](C)(C)Cc1ccccc1Br ZINC000195917085 385495484 /nfs/dbraw/zinc/49/54/84/385495484.db2.gz KNLJJDOXYDPCSI-UHFFFAOYSA-N 0 0 243.220 3.869 10 0 BHAERN CC(C)(C)[Si](C)(C)n1ccc2cccnc21 ZINC000195966058 368308586 /nfs/dbraw/zinc/30/85/86/368308586.db2.gz WCRKDJNVCMQOPR-UHFFFAOYSA-N 0 0 232.403 3.890 10 0 BHAERN Cc1ccc2[nH]c(C=O)c(-c3ccccc3)c2c1 ZINC000195987348 385501171 /nfs/dbraw/zinc/50/11/71/385501171.db2.gz WQWULEABSVSRGF-UHFFFAOYSA-N 0 0 235.286 3.956 10 0 BHAERN C[Si](C)(c1ccccc1)[C@H]1C=CCCC1 ZINC000195988109 347747806 /nfs/dbraw/zinc/74/78/06/347747806.db2.gz STQUZUMWOPTQQC-AWEZNQCLSA-N 0 0 216.400 3.712 10 0 BHAERN C[Si](C)(c1ccccc1)[C@@H]1C=CCCC1 ZINC000195988117 347747823 /nfs/dbraw/zinc/74/78/23/347747823.db2.gz STQUZUMWOPTQQC-CQSZACIVSA-N 0 0 216.400 3.712 10 0 BHAERN CC(=O)c1cccc2oc(-c3ccccc3)nc21 ZINC000196001715 347761290 /nfs/dbraw/zinc/76/12/90/347761290.db2.gz IGGPSKMROHMAGE-UHFFFAOYSA-N 0 0 237.258 3.697 10 0 BHAERN O=Nc1c(NC2CC2)ccc2ccccc21 ZINC000196009968 347763866 /nfs/dbraw/zinc/76/38/66/347763866.db2.gz IXEDNEWLCXGPPY-UHFFFAOYSA-N 0 0 212.252 3.812 10 0 BHAERN Brc1ccsc1-c1ccccn1 ZINC000196061480 343628099 /nfs/dbraw/zinc/62/80/99/343628099.db2.gz OEOPNMQHFWAVQT-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN CCN(CC)c1ccc(C[Si](C)(C)C)cc1 ZINC000196081146 169803707 /nfs/dbraw/zinc/80/37/07/169803707.db2.gz QQQFXYBNDPHYFF-UHFFFAOYSA-N 0 0 235.447 3.953 10 0 BHAERN Cc1ccc(SC(F)(F)Cl)cc1 ZINC000196081384 343628406 /nfs/dbraw/zinc/62/84/06/343628406.db2.gz AOBPSFBAJVTAHM-UHFFFAOYSA-N 0 0 208.660 3.876 10 0 BHAERN CCOC(=O)CCCCCCC1=CC=CC1 ZINC000196106288 343628778 /nfs/dbraw/zinc/62/87/78/343628778.db2.gz NOYKGOKFCDFQJT-UHFFFAOYSA-N 0 0 222.328 3.776 10 0 BHAERN CCCc1c(O)cccc1OCc1ccccc1 ZINC000196110695 347801746 /nfs/dbraw/zinc/80/17/46/347801746.db2.gz AOLVKFICOOTDIH-UHFFFAOYSA-N 0 0 242.318 3.924 10 0 BHAERN c1ccc([C@@H]2C=Nc3ccccc3N2)cc1 ZINC000196138105 187396638 /nfs/dbraw/zinc/39/66/38/187396638.db2.gz XPYWNLLJYSMGTH-AWEZNQCLSA-N 0 0 208.264 3.556 10 0 BHAERN c1ccc([C@H]2C=Nc3ccccc3N2)cc1 ZINC000196138109 187396653 /nfs/dbraw/zinc/39/66/53/187396653.db2.gz XPYWNLLJYSMGTH-CQSZACIVSA-N 0 0 208.264 3.556 10 0 BHAERN Cc1ccc(-c2nc3cccc(O)c3s2)cc1 ZINC000196139648 358430961 /nfs/dbraw/zinc/43/09/61/358430961.db2.gz GXJFKSVKCUDDJY-UHFFFAOYSA-N 0 0 241.315 3.977 10 0 BHAERN c1ccc(C2=CCc3ccccc3N2)cc1 ZINC000196150637 187234025 /nfs/dbraw/zinc/23/40/25/187234025.db2.gz YNBFLXRSWWYBKA-UHFFFAOYSA-N 0 0 207.276 3.696 10 0 BHAERN COc1ccc(O)c(CCC2CCCCC2)c1 ZINC000196170827 347817314 /nfs/dbraw/zinc/81/73/14/347817314.db2.gz BKGKECYGJGXNFU-UHFFFAOYSA-N 0 0 234.339 3.914 10 0 BHAERN Oc1ccc(-n2ccc3ccccc32)cc1Cl ZINC000196171238 347817324 /nfs/dbraw/zinc/81/73/24/347817324.db2.gz XMNRYEBOQOCNDG-UHFFFAOYSA-N 0 0 243.693 3.990 10 0 BHAERN Brc1cccc(Nc2ccccn2)c1 ZINC000196172750 166101444 /nfs/dbraw/zinc/10/14/44/166101444.db2.gz BEXIYCBVMXFMJT-UHFFFAOYSA-N 0 0 249.111 3.588 10 0 BHAERN C=C([NH2+]C1CCCCC1)c1ccccc1 ZINC000196184504 347819294 /nfs/dbraw/zinc/81/92/94/347819294.db2.gz YPHOFSHAIVTVDX-UHFFFAOYSA-N 0 0 201.313 3.580 10 0 BHAERN Cc1ncccc1-c1ccccc1Cl ZINC000196185551 347819684 /nfs/dbraw/zinc/81/96/84/347819684.db2.gz XAYQKHGBIZCNRB-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN C[C@H]1CC[C@H](Sc2ccccc2)C(=O)C1 ZINC000196191259 388622573 /nfs/dbraw/zinc/62/25/73/388622573.db2.gz WVQHIPYOBZAUKX-GWCFXTLKSA-N 0 0 220.337 3.536 10 0 BHAERN C[C@H]1CC[C@@H](Sc2ccccc2)C(=O)C1 ZINC000196191269 259367723 /nfs/dbraw/zinc/36/77/23/259367723.db2.gz WVQHIPYOBZAUKX-GXFFZTMASA-N 0 0 220.337 3.536 10 0 BHAERN COc1cccc(C2CCCCC2)c1OC ZINC000196199157 411136932 /nfs/dbraw/zinc/13/69/32/411136932.db2.gz PHJAZGAUUFFAAW-UHFFFAOYSA-N 0 0 220.312 3.752 10 0 BHAERN COc1ccc(N=O)c(Nc2ccccc2)c1 ZINC000196199380 188006914 /nfs/dbraw/zinc/00/69/14/188006914.db2.gz IDEVHVNWLUTWEJ-UHFFFAOYSA-N 0 0 228.251 3.837 10 0 BHAERN CC(=O)CC12CC3CC(C1)CC(CC(C)=O)(C3)C2 ZINC000196200275 347831947 /nfs/dbraw/zinc/83/19/47/347831947.db2.gz DJPSBWVAQOOBFF-UHFFFAOYSA-N 0 0 248.366 3.531 10 0 BHAERN CC(C)(C)[Si](C)(C)Cc1ccccn1 ZINC000196201058 188354128 /nfs/dbraw/zinc/35/41/28/188354128.db2.gz ZQYNSEURCIBTHD-UHFFFAOYSA-N 0 0 207.393 3.672 10 0 BHAERN Cc1ccc(-n2cnc(-c3ccccc3)c2)cc1 ZINC000196204161 347831964 /nfs/dbraw/zinc/83/19/64/347831964.db2.gz OWQPLEITCORQAA-UHFFFAOYSA-N 0 0 234.302 3.848 10 0 BHAERN CC1(C)Nc2ccccc2[C@H](c2ccccc2)N1 ZINC000196209165 398234167 /nfs/dbraw/zinc/23/41/67/398234167.db2.gz OCTCRMZQQJGLFE-HNNXBMFYSA-N 0 0 238.334 3.527 10 0 BHAERN CC1(C)Nc2ccccc2[C@@H](c2ccccc2)N1 ZINC000196209172 398234184 /nfs/dbraw/zinc/23/41/84/398234184.db2.gz OCTCRMZQQJGLFE-OAHLLOKOSA-N 0 0 238.334 3.527 10 0 BHAERN CC(=C\Br)/C(C)=C/Br ZINC000196223389 343630597 /nfs/dbraw/zinc/63/05/97/343630597.db2.gz WISDFMLEHXMYJD-GGWOSOGESA-N 0 0 239.938 3.584 10 0 BHAERN CC1(c2ccccc2)Cc2ccccc2C1 ZINC000196225973 168072341 /nfs/dbraw/zinc/07/23/41/168072341.db2.gz UMFGOOSYOXWSSG-UHFFFAOYSA-N 0 0 208.304 3.743 10 0 BHAERN C[Si](C)(C)Nc1ccccc1Br ZINC000196232276 343630410 /nfs/dbraw/zinc/63/04/10/343630410.db2.gz ZVNCLCYEEGJCBE-UHFFFAOYSA-N 0 0 244.208 3.696 10 0 BHAERN CCn1c(C)nc2cc3ccccc3cc21 ZINC000196233530 347489971 /nfs/dbraw/zinc/48/99/71/347489971.db2.gz NEJBVLKPEBCKII-UHFFFAOYSA-N 0 0 210.280 3.518 10 0 BHAERN COc1ccc2c(c1)OCC(c1ccccc1)=C2 ZINC000196236425 175212781 /nfs/dbraw/zinc/21/27/81/175212781.db2.gz LSZIRYVRGHKUGG-UHFFFAOYSA-N 0 0 238.286 3.628 10 0 BHAERN CCCCC[C@@H]1C[C@H](c2ccccc2)N(C)O1 ZINC000196243759 347843798 /nfs/dbraw/zinc/84/37/98/347843798.db2.gz SVWJZUHGLVIESB-HUUCEWRRSA-N 0 0 233.355 3.944 10 0 BHAERN CCCCC[C@H]1C[C@H](c2ccccc2)N(C)O1 ZINC000196243768 347843985 /nfs/dbraw/zinc/84/39/85/347843985.db2.gz SVWJZUHGLVIESB-LSDHHAIUSA-N 0 0 233.355 3.944 10 0 BHAERN CCCCC[C@@H]1C[C@@H](c2ccccc2)N(C)O1 ZINC000196243777 347843705 /nfs/dbraw/zinc/84/37/05/347843705.db2.gz SVWJZUHGLVIESB-CABCVRRESA-N 0 0 233.355 3.944 10 0 BHAERN CCCCC[C@H]1C[C@@H](c2ccccc2)N(C)O1 ZINC000196243785 347844071 /nfs/dbraw/zinc/84/40/71/347844071.db2.gz SVWJZUHGLVIESB-GJZGRUSLSA-N 0 0 233.355 3.944 10 0 BHAERN FC(Cl)(Cl)C(F)(F)Oc1ccccc1 ZINC000196246628 347843883 /nfs/dbraw/zinc/84/38/83/347843883.db2.gz RUDFHORYQSUEGW-UHFFFAOYSA-N 0 0 245.027 3.759 10 0 BHAERN Cc1ccccc1N=[S@](C)(=O)c1ccccc1 ZINC000196251213 368396088 /nfs/dbraw/zinc/39/60/88/368396088.db2.gz ZWVFZXZFVBWQKM-QGZVFWFLSA-N 0 0 245.347 3.783 10 0 BHAERN Cc1ccccc1N=[S@@](C)(=O)c1ccccc1 ZINC000196251216 368396196 /nfs/dbraw/zinc/39/61/96/368396196.db2.gz ZWVFZXZFVBWQKM-KRWDZBQOSA-N 0 0 245.347 3.783 10 0 BHAERN C[Si](C)(C)Cc1nc2ccccc2s1 ZINC000196254915 490113535 /nfs/dbraw/zinc/11/35/35/490113535.db2.gz VQFHXYOGBROXDL-UHFFFAOYSA-N 0 0 221.401 3.716 10 0 BHAERN Cc1cc(C)c(N)c(C2CCCCC2)c1 ZINC000196263373 387156564 /nfs/dbraw/zinc/15/65/64/387156564.db2.gz UVJJWXRETQZZHG-UHFFFAOYSA-N 0 0 203.329 3.933 10 0 BHAERN C[Si](C)(C)C1=CCC([Si](C)(C)C)=C1 ZINC000196267333 411138073 /nfs/dbraw/zinc/13/80/73/411138073.db2.gz XHGIGSOFQVTNQI-UHFFFAOYSA-N 0 0 210.469 3.998 10 0 BHAERN Clc1cccc2c1CCN2Cc1ccccc1 ZINC000196270628 347865480 /nfs/dbraw/zinc/86/54/80/347865480.db2.gz JMTPKCMMVSNTNM-UHFFFAOYSA-N 0 0 243.737 3.903 10 0 BHAERN CC[Si](CC)(CC)c1cnc2ccccc2c1 ZINC000196271355 397909984 /nfs/dbraw/zinc/90/99/84/397909984.db2.gz SNAJGJCRUOYJJH-UHFFFAOYSA-N 0 0 243.426 3.950 10 0 BHAERN c1ccc2nc3c(cc2c1)-c1ccccc1OC3 ZINC000196272559 347865434 /nfs/dbraw/zinc/86/54/34/347865434.db2.gz VNPPOXROLZTRJO-UHFFFAOYSA-N 0 0 233.270 3.794 10 0 BHAERN CCc1cccc2c1NC(C)(C)C=C2C ZINC000196291181 171868395 /nfs/dbraw/zinc/86/83/95/171868395.db2.gz MXCBTZFSKLKGBE-UHFFFAOYSA-N 0 0 201.313 3.856 10 0 BHAERN O=C1CCc2cc(C3CCCCC3)ccc21 ZINC000196297084 347867533 /nfs/dbraw/zinc/86/75/33/347867533.db2.gz BBJUVHSGARWBMB-UHFFFAOYSA-N 0 0 214.308 3.863 10 0 BHAERN CC[Si](CC)(CC)c1ccc2ncccc2c1 ZINC000196318891 385506952 /nfs/dbraw/zinc/50/69/52/385506952.db2.gz JPRJBOWDHJZZQT-UHFFFAOYSA-N 0 0 243.426 3.950 10 0 BHAERN C=C(N=[N+]=[N-])c1ccc(Br)cc1 ZINC000196323463 644412577 /nfs/dbraw/zinc/41/25/77/644412577.db2.gz SNAAUGBFFVRPBH-UHFFFAOYSA-N 0 0 224.061 3.730 10 0 BHAERN Cc1cccc(C2=CCc3ccccc32)c1 ZINC000196323773 347868222 /nfs/dbraw/zinc/86/82/22/347868222.db2.gz SBDUIMQOZIHEDE-UHFFFAOYSA-N 0 0 206.288 3.983 10 0 BHAERN ONc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000196349176 347869071 /nfs/dbraw/zinc/86/90/71/347869071.db2.gz UMUQXUDPPHPLOV-UHFFFAOYSA-N 0 0 245.122 3.525 10 0 BHAERN c1csc([C@@H]2CCNc3ccccc32)c1 ZINC000196358410 643629095 /nfs/dbraw/zinc/62/90/95/643629095.db2.gz AEZKMDDFBFAMRW-LLVKDONJSA-N 0 0 215.321 3.696 10 0 BHAERN c1csc([C@H]2CCNc3ccccc32)c1 ZINC000196358421 643628545 /nfs/dbraw/zinc/62/85/45/643628545.db2.gz AEZKMDDFBFAMRW-NSHDSACASA-N 0 0 215.321 3.696 10 0 BHAERN CCc1cc2c(s1)Nc1ccccc1NC2=O ZINC000196377093 343631395 /nfs/dbraw/zinc/63/13/95/343631395.db2.gz KSHBFHCSVCVCMR-UHFFFAOYSA-N 0 0 244.319 3.620 10 0 BHAERN O[C@@H]1Cc2ccc(Cl)c3c2c1ccc3Cl ZINC000196380600 363166846 /nfs/dbraw/zinc/16/68/46/363166846.db2.gz ZOELMYUQQKPMMG-SNVBAGLBSA-N 0 0 239.101 3.736 10 0 BHAERN COc1ccc(S[Si](C)(C)C)cc1 ZINC000196381815 343631398 /nfs/dbraw/zinc/63/13/98/343631398.db2.gz XOFFEXFRCYEWGZ-UHFFFAOYSA-N 0 0 212.390 3.622 10 0 BHAERN CCCOC1Sc2ccccc2S1 ZINC000196413680 169301764 /nfs/dbraw/zinc/30/17/64/169301764.db2.gz STOWVAJUKWEMNA-UHFFFAOYSA-N 0 0 212.339 3.595 10 0 BHAERN COc1cc2c(cc1C(C)C)CCC=C2 ZINC000196413804 347879560 /nfs/dbraw/zinc/87/95/60/347879560.db2.gz UNWRTLSNMYBFOR-UHFFFAOYSA-N 0 0 202.297 3.778 10 0 BHAERN COc1cc2ccccc2cc1C(C)C ZINC000196413812 347879511 /nfs/dbraw/zinc/87/95/11/347879511.db2.gz FRUYCTREBIUZAQ-UHFFFAOYSA-N 0 0 200.281 3.972 10 0 BHAERN COc1ccc2ccc3c(c2c1)CCCC3 ZINC000196413895 347879634 /nfs/dbraw/zinc/87/96/34/347879634.db2.gz GLEZDDHUQKEKBU-UHFFFAOYSA-N 0 0 212.292 3.727 10 0 BHAERN CNc1ccc(OC23CCC(CC2)CC3)cc1 ZINC000196416452 347875968 /nfs/dbraw/zinc/87/59/68/347875968.db2.gz KMYAAONGIYQWLR-UHFFFAOYSA-N 0 0 231.339 3.830 10 0 BHAERN O=C1c2ccccc2CC[C@@H]1c1ccc(F)cc1 ZINC000196419684 491074226 /nfs/dbraw/zinc/07/42/26/491074226.db2.gz KFASQSLGCGXEQN-OAHLLOKOSA-N 0 0 240.277 3.738 10 0 BHAERN Cc1ccc2c(c1)CC[C@H](c1ccccc1)C2=O ZINC000196419779 491074221 /nfs/dbraw/zinc/07/42/21/491074221.db2.gz FOMJOHZOXIFJMY-OAHLLOKOSA-N 0 0 236.314 3.908 10 0 BHAERN Cc1ccc2c(c1)CC[C@@H](c1ccccc1)C2=O ZINC000196419790 491074225 /nfs/dbraw/zinc/07/42/25/491074225.db2.gz FOMJOHZOXIFJMY-HNNXBMFYSA-N 0 0 236.314 3.908 10 0 BHAERN CCOC(=O)CCCCCCc1cccs1 ZINC000196432289 343631615 /nfs/dbraw/zinc/63/16/15/343631615.db2.gz GDANSOXHVCVPGP-UHFFFAOYSA-N 0 0 240.368 3.804 10 0 BHAERN C=Cc1c(C)c2ccccc2nc1Cl ZINC000196446476 385507935 /nfs/dbraw/zinc/50/79/35/385507935.db2.gz OPZGGSSCQPZBFP-UHFFFAOYSA-N 0 0 203.672 3.840 10 0 BHAERN C=Cc1c(C)c2ccccc2[nH]c1=S ZINC000196446514 398113510 /nfs/dbraw/zinc/11/35/10/398113510.db2.gz QDXHVWOGZRTWBG-UHFFFAOYSA-N 0 0 201.294 3.849 10 0 BHAERN CC1([C@@H]2Cc3cc(C=O)ccc3O2)CCCCC1 ZINC000196453089 347889278 /nfs/dbraw/zinc/88/92/78/347889278.db2.gz BWOBGWXYIVJBBM-HNNXBMFYSA-N 0 0 244.334 3.773 10 0 BHAERN CC1([C@H]2Cc3cc(C=O)ccc3O2)CCCCC1 ZINC000196453099 347889236 /nfs/dbraw/zinc/88/92/36/347889236.db2.gz BWOBGWXYIVJBBM-OAHLLOKOSA-N 0 0 244.334 3.773 10 0 BHAERN CC1(C)COC2(CCCCCCC2)OC1 ZINC000196494809 188258971 /nfs/dbraw/zinc/25/89/71/188258971.db2.gz WHJXQNFLCBFXSN-UHFFFAOYSA-N 0 0 212.333 3.500 10 0 BHAERN c1ccc2c(c1)N[C@@H]1CCCCC[C@@H]1S2 ZINC000196508435 357409015 /nfs/dbraw/zinc/40/90/15/357409015.db2.gz QSCFUUXGGCTGRV-PWSUYJOCSA-N 0 0 219.353 3.906 10 0 BHAERN c1ccc2c(c1)N[C@H]1CCCCC[C@@H]1S2 ZINC000196508447 347913122 /nfs/dbraw/zinc/91/31/22/347913122.db2.gz QSCFUUXGGCTGRV-JQWIXIFHSA-N 0 0 219.353 3.906 10 0 BHAERN c1ccc2c(c1)N[C@H]1CCCCC[C@H]1S2 ZINC000196508456 347913310 /nfs/dbraw/zinc/91/33/10/347913310.db2.gz QSCFUUXGGCTGRV-CMPLNLGQSA-N 0 0 219.353 3.906 10 0 BHAERN CC(C)=CCc1cccc2c1NCCC2 ZINC000196512190 187234233 /nfs/dbraw/zinc/23/42/33/187234233.db2.gz UUIUTTCSSZIMEP-UHFFFAOYSA-N 0 0 201.313 3.553 10 0 BHAERN O=c1sc(Cl)c(Cl)c(Cl)c1Cl ZINC000196531812 343632579 /nfs/dbraw/zinc/63/25/79/343632579.db2.gz AMBBPXCBQNMALO-UHFFFAOYSA-N 0 0 249.933 3.722 10 0 BHAERN FC(F)(F)C1(Br)CCCCC1 ZINC000196552723 347930787 /nfs/dbraw/zinc/93/07/87/347930787.db2.gz NEHQJSNBJNHPJY-UHFFFAOYSA-N 0 0 231.055 3.647 10 0 BHAERN C[Si](C)(C)Cc1cccc2cccnc21 ZINC000196571063 177499492 /nfs/dbraw/zinc/49/94/92/177499492.db2.gz YHUDVGAUZKHFFA-UHFFFAOYSA-N 0 0 215.372 3.655 10 0 BHAERN Nc1ccc2oc3ccccc3c2c1Cl ZINC000196574094 347935105 /nfs/dbraw/zinc/93/51/05/347935105.db2.gz WPFUNSNPGFZYEX-UHFFFAOYSA-N 0 0 217.655 3.822 10 0 BHAERN CSC(=S)OCc1ccc(Cl)cc1 ZINC000196589529 343632771 /nfs/dbraw/zinc/63/27/71/343632771.db2.gz XMZXGEVIICDLLD-UHFFFAOYSA-N 0 0 232.757 3.505 10 0 BHAERN Clc1c2ccccc2nnc1-c1ccccc1 ZINC000196617854 343633293 /nfs/dbraw/zinc/63/32/93/343633293.db2.gz PYDPPAOYSUUYBY-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN CC(C)[Si](CCO)(C(C)C)C(C)C ZINC000196627437 347954937 /nfs/dbraw/zinc/95/49/37/347954937.db2.gz PLCPTTVVRNOPDR-UHFFFAOYSA-N 0 0 202.414 3.658 10 0 BHAERN CC[C@]12CC3CC(NC(C)=O)(C1)C[C@@](CC)(C3)C2 ZINC000196627944 347954999 /nfs/dbraw/zinc/95/49/99/347954999.db2.gz ZTGVFBHGFPCMMS-IRHLINNNSA-N 0 0 249.398 3.652 10 0 BHAERN CC(C)(C)OC(=O)n1cccc1-c1ccccc1 ZINC000196667548 347986224 /nfs/dbraw/zinc/98/62/24/347986224.db2.gz MLUVRBLMEXSSPI-UHFFFAOYSA-N 0 0 243.306 3.938 10 0 BHAERN Cc1ccc(C)c2c3cc4c(cc3[nH]c21)OCO4 ZINC000196699215 347991502 /nfs/dbraw/zinc/99/15/02/347991502.db2.gz OQNCVTINSVUBIG-UHFFFAOYSA-N 0 0 239.274 3.667 10 0 BHAERN COP(=O)(OC)[C@H](C)c1ccc(C)cc1 ZINC000196700099 347994742 /nfs/dbraw/zinc/99/47/42/347994742.db2.gz SLFPAPDGGZRLML-SNVBAGLBSA-N 0 0 228.228 3.542 10 0 BHAERN COP(=O)(OC)[C@@H](C)c1ccc(C)cc1 ZINC000196700115 343634364 /nfs/dbraw/zinc/63/43/64/343634364.db2.gz SLFPAPDGGZRLML-JTQLQIEISA-N 0 0 228.228 3.542 10 0 BHAERN C[Si](C)(C)C1=C([Si](C)(C)C)CC=C1 ZINC000196764308 397969529 /nfs/dbraw/zinc/96/95/29/397969529.db2.gz HQLHTFLIBOBBPQ-UHFFFAOYSA-N 0 0 210.469 3.998 10 0 BHAERN CCCCCC(=O)c1cc(Cl)ccc1O ZINC000196775032 348023073 /nfs/dbraw/zinc/02/30/73/348023073.db2.gz MZXYCTILPQWUHV-UHFFFAOYSA-N 0 0 226.703 3.809 10 0 BHAERN O[C@H]1CCCC1(c1ccccc1)c1ccccc1 ZINC000196779690 348025252 /nfs/dbraw/zinc/02/52/52/348025252.db2.gz TYFASEURNPWTII-INIZCTEOSA-N 0 0 238.330 3.518 10 0 BHAERN COc1cc(C(C)=O)ccc1-c1ccccc1C ZINC000196785117 348025517 /nfs/dbraw/zinc/02/55/17/348025517.db2.gz NRGUGBYIMNJVOM-UHFFFAOYSA-N 0 0 240.302 3.873 10 0 BHAERN CC(=O)Oc1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000196802282 348029933 /nfs/dbraw/zinc/02/99/33/348029933.db2.gz IBNWYLOZCDHZTB-UHFFFAOYSA-N 0 0 246.350 3.961 10 0 BHAERN CC(C)=Cc1ccccc1Br ZINC000196823626 368396273 /nfs/dbraw/zinc/39/62/73/368396273.db2.gz ZJWPKCADKDSSMP-UHFFFAOYSA-N 0 0 211.102 3.872 10 0 BHAERN CC(C)C1(CO)c2ccccc2-c2ccccc21 ZINC000196833168 348037371 /nfs/dbraw/zinc/03/73/71/348037371.db2.gz VWJQJPOQQWYEKO-UHFFFAOYSA-N 0 0 238.330 3.601 10 0 BHAERN Cc1sc(=S)n(-c2ccccc2)c1C ZINC000196839106 343635608 /nfs/dbraw/zinc/63/56/08/343635608.db2.gz DOMBNTYUIQDNHU-UHFFFAOYSA-N 0 0 221.350 3.885 10 0 BHAERN Fc1ccc(-n2ccc3cc(F)ccc32)cc1 ZINC000196849543 348033378 /nfs/dbraw/zinc/03/33/78/348033378.db2.gz ZMMMUFMEDBUNFU-UHFFFAOYSA-N 0 0 229.229 3.909 10 0 BHAERN CCOC(=N)Cc1cc2ccccc2cc1C ZINC000196864385 348039559 /nfs/dbraw/zinc/03/95/59/348039559.db2.gz BHZFRGIUCYNTQT-UHFFFAOYSA-N 0 0 227.307 3.704 10 0 BHAERN CCCn1cccc1-c1ccc(F)cc1 ZINC000196881470 348049458 /nfs/dbraw/zinc/04/94/58/348049458.db2.gz ZEZDREQVAVBBDB-UHFFFAOYSA-N 0 0 203.260 3.704 10 0 BHAERN COc1cc(Cl)c2ccccc2c1OC ZINC000196900718 348059324 /nfs/dbraw/zinc/05/93/24/348059324.db2.gz HPJJGJAJLMYCON-UHFFFAOYSA-N 0 0 222.671 3.510 10 0 BHAERN CCCCCCNc1cc(OC)ccc1C(C)=O ZINC000196923728 348061641 /nfs/dbraw/zinc/06/16/41/348061641.db2.gz AWLOBWYEAJWYQV-UHFFFAOYSA-N 0 0 249.354 3.890 10 0 BHAERN Cc1nc2cc(C(F)(F)F)ccc2nc1Cl ZINC000196951575 348066351 /nfs/dbraw/zinc/06/63/51/348066351.db2.gz IOILMRUENSKLCV-UHFFFAOYSA-N 0 0 246.619 3.610 10 0 BHAERN Oc1cccc([C@H]2Nc3ccccc3S2)c1 ZINC000196956337 347532771 /nfs/dbraw/zinc/53/27/71/347532771.db2.gz RUVQOYCBEACMCU-ZDUSSCGKSA-N 0 0 229.304 3.609 10 0 BHAERN Oc1cccc([C@@H]2Nc3ccccc3S2)c1 ZINC000196956350 348066455 /nfs/dbraw/zinc/06/64/55/348066455.db2.gz RUVQOYCBEACMCU-CYBMUJFWSA-N 0 0 229.304 3.609 10 0 BHAERN C/C(=C/CO)c1ccc2c(c1)C(C)(C)CCS2 ZINC000197001940 348079360 /nfs/dbraw/zinc/07/93/60/348079360.db2.gz ZFKAALSKPRNOQW-WDZFZDKYSA-N 0 0 248.391 3.856 10 0 BHAERN O=C1C[C@@H](c2ccc(F)c(F)c2)c2ccccc21 ZINC000197021593 348084271 /nfs/dbraw/zinc/08/42/71/348084271.db2.gz XOGMHBCXZMMBME-LBPRGKRZSA-N 0 0 244.240 3.683 10 0 BHAERN O=C1C[C@H](c2ccc(F)c(F)c2)c2ccccc21 ZINC000197021607 348083942 /nfs/dbraw/zinc/08/39/42/348083942.db2.gz XOGMHBCXZMMBME-GFCCVEGCSA-N 0 0 244.240 3.683 10 0 BHAERN O[C@@H]1C[C@H](c2cccc(Cl)c2)c2ccccc21 ZINC000197021767 348084262 /nfs/dbraw/zinc/08/42/62/348084262.db2.gz QZXXXGLCWMDGCX-HUUCEWRRSA-N 0 0 244.721 3.909 10 0 BHAERN O[C@@H]1C[C@H](c2ccc(Cl)cc2)c2ccccc21 ZINC000197021822 348084042 /nfs/dbraw/zinc/08/40/42/348084042.db2.gz GIEFAQBQDICGTE-HUUCEWRRSA-N 0 0 244.721 3.909 10 0 BHAERN O[C@@H]1C[C@H](c2ccc(F)c(F)c2)c2ccccc21 ZINC000197021935 348084063 /nfs/dbraw/zinc/08/40/63/348084063.db2.gz BHRFXVDWSWGFRU-IUODEOHRSA-N 0 0 246.256 3.534 10 0 BHAERN CCCCCSc1cc(OC)ccc1OC ZINC000197048171 348085786 /nfs/dbraw/zinc/08/57/86/348085786.db2.gz LOBNGSKMNCRSNZ-UHFFFAOYSA-N 0 0 240.368 3.986 10 0 BHAERN COc1cccc2c1Oc1cccc(C)c1C2 ZINC000197053021 385609775 /nfs/dbraw/zinc/60/97/75/385609775.db2.gz QIJLOSFIJCKFHB-UHFFFAOYSA-N 0 0 226.275 3.700 10 0 BHAERN Cc1coc2cc(C)c(Br)cc12 ZINC000197058004 385611845 /nfs/dbraw/zinc/61/18/45/385611845.db2.gz POBZNMIYMRZYMQ-UHFFFAOYSA-N 0 0 225.085 3.812 10 0 BHAERN c1cc(CCCc2ccccc2)cs1 ZINC000197169913 347556277 /nfs/dbraw/zinc/55/62/77/347556277.db2.gz NROPTWRMZBMHIZ-UHFFFAOYSA-N 0 0 202.322 3.923 10 0 BHAERN Cc1ccc2c(c1)C(=O)CC[C@@H]2C(C)C ZINC000197420571 348235292 /nfs/dbraw/zinc/23/52/92/348235292.db2.gz XXGQJLMGVGPWSN-LLVKDONJSA-N 0 0 202.297 3.711 10 0 BHAERN Cc1ccc2c(c1)C(=O)CC[C@H]2C(C)C ZINC000197420579 348235041 /nfs/dbraw/zinc/23/50/41/348235041.db2.gz XXGQJLMGVGPWSN-NSHDSACASA-N 0 0 202.297 3.711 10 0 BHAERN CCOC(=O)c1cc(C)sc1-c1ccccc1 ZINC000197508978 170291416 /nfs/dbraw/zinc/29/14/16/170291416.db2.gz XUONMCJFPXMVMJ-UHFFFAOYSA-N 0 0 246.331 3.900 10 0 BHAERN Cc1nc2ccc(C)cc2n1-c1ccccc1C ZINC000197938234 411291987 /nfs/dbraw/zinc/29/19/87/411291987.db2.gz ZHUAVSZIMXYCLZ-UHFFFAOYSA-N 0 0 236.318 3.951 10 0 BHAERN C[Si](C)(C)Cc1cnc2ccccc2c1 ZINC000197991478 385545301 /nfs/dbraw/zinc/54/53/01/385545301.db2.gz XQACVRWYSOGVIU-UHFFFAOYSA-N 0 0 215.372 3.655 10 0 BHAERN O[C@]12CCCC[C@H]1CCC[C@H]2Nc1ccccc1 ZINC000198456802 348736549 /nfs/dbraw/zinc/73/65/49/348736549.db2.gz LHYUBQPGZGZSPP-NUEKZKHPSA-N 0 0 245.366 3.572 10 0 BHAERN FC(F)(F)c1cc(-c2ccccc2)ccn1 ZINC000198518936 349720707 /nfs/dbraw/zinc/72/07/07/349720707.db2.gz BSUYAQUBGLTGDF-UHFFFAOYSA-N 0 0 223.197 3.767 10 0 BHAERN CCCc1ccccc1[C@H](O)c1ccccc1 ZINC000198745723 348931813 /nfs/dbraw/zinc/93/18/13/348931813.db2.gz MCMUOLFQNWETMC-MRXNPFEDSA-N 0 0 226.319 3.721 10 0 BHAERN CCCc1ccccc1[C@@H](O)c1ccccc1 ZINC000198745738 348931733 /nfs/dbraw/zinc/93/17/33/348931733.db2.gz MCMUOLFQNWETMC-INIZCTEOSA-N 0 0 226.319 3.721 10 0 BHAERN Cc1cc(C)c2cc(F)c(Cl)cc2n1 ZINC000198957632 539012843 /nfs/dbraw/zinc/01/28/43/539012843.db2.gz RTWWDMGMGOPWNE-UHFFFAOYSA-N 0 0 209.651 3.644 10 0 BHAERN Clc1cc(-c2ccccc2)nc2ncccc12 ZINC000199042629 398273409 /nfs/dbraw/zinc/27/34/09/398273409.db2.gz DHGNDRDQOATFHN-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN OCCCCc1ccccc1-c1ccccc1 ZINC000199056776 343680919 /nfs/dbraw/zinc/68/09/19/343680919.db2.gz ASXHBIMJLZHIQU-UHFFFAOYSA-N 0 0 226.319 3.669 10 0 BHAERN CCOc1ccc(-c2cccc(F)c2)cc1 ZINC000199074504 539012910 /nfs/dbraw/zinc/01/29/10/539012910.db2.gz VHJBNXHEBSFWNK-UHFFFAOYSA-N 0 0 216.255 3.891 10 0 BHAERN CCCc1c[nH]c2c1cccc2Br ZINC000199116405 387157480 /nfs/dbraw/zinc/15/74/80/387157480.db2.gz VGWHSAWJLGVOGM-UHFFFAOYSA-N 0 0 238.128 3.883 10 0 BHAERN Cc1cc2nc(-c3cccc(O)c3)oc2cc1C ZINC000199171387 178300134 /nfs/dbraw/zinc/30/01/34/178300134.db2.gz QVXIKARJUYAAIT-UHFFFAOYSA-N 0 0 239.274 3.817 10 0 BHAERN CC(C)(C)OC(=O)c1ccc2ooc2c1Cl ZINC000199193401 349148971 /nfs/dbraw/zinc/14/89/71/349148971.db2.gz ZLFFSNUQDOKXCR-UHFFFAOYSA-N 0 0 242.658 3.635 10 0 BHAERN CC1=C(/C=C/[C@@H](C)CO)C(C)(C)CCC1 ZINC000199260339 349164079 /nfs/dbraw/zinc/16/40/79/349164079.db2.gz SFPJUSGYMAXMDP-WSKFYRRCSA-N 0 0 208.345 3.698 10 0 BHAERN CC1=C(/C=C/[C@H](C)CO)C(C)(C)CCC1 ZINC000199260368 349163852 /nfs/dbraw/zinc/16/38/52/349163852.db2.gz SFPJUSGYMAXMDP-AEZGRPFRSA-N 0 0 208.345 3.698 10 0 BHAERN CCCc1c[nH]c2ccc(Br)cc12 ZINC000199389763 323944950 /nfs/dbraw/zinc/94/49/50/323944950.db2.gz PEKFINRVJQMWKI-UHFFFAOYSA-N 0 0 238.128 3.883 10 0 BHAERN Cc1cccc(-c2ccc3oc(=O)ccc3c2)c1 ZINC000199392406 349213730 /nfs/dbraw/zinc/21/37/30/349213730.db2.gz MFNKBOVAOCUOPY-UHFFFAOYSA-N 0 0 236.270 3.768 10 0 BHAERN CCC(/C=C(\C)C[C@]1(C)CCOC1=O)CC ZINC000199396333 343693210 /nfs/dbraw/zinc/69/32/10/343693210.db2.gz CEIIPWMBXYOMJM-MARXPDLDSA-N 0 0 224.344 3.712 10 0 BHAERN CCC(/C=C(\C)C[C@@]1(C)CCOC1=O)CC ZINC000199396349 349213463 /nfs/dbraw/zinc/21/34/63/349213463.db2.gz CEIIPWMBXYOMJM-CFRMROPGSA-N 0 0 224.344 3.712 10 0 BHAERN C/C(=C\C1CCCCC1)C[C@]1(C)CCOC1=O ZINC000199397369 349214735 /nfs/dbraw/zinc/21/47/35/349214735.db2.gz NPTBTOJKISFAGE-PABFRNLHSA-N 0 0 236.355 3.856 10 0 BHAERN C/C(=C\C1CCCCC1)C[C@@]1(C)CCOC1=O ZINC000199397386 349214565 /nfs/dbraw/zinc/21/45/65/349214565.db2.gz NPTBTOJKISFAGE-HBIYDYFMSA-N 0 0 236.355 3.856 10 0 BHAERN c1cc(Cc2ccc3ccccc3c2)c[nH]1 ZINC000199399217 362019989 /nfs/dbraw/zinc/01/99/89/362019989.db2.gz PPGITDUPSMEPSQ-UHFFFAOYSA-N 0 0 207.276 3.759 10 0 BHAERN Clc1ccc2cc(-c3ccccc3)nn2c1 ZINC000199487746 349227469 /nfs/dbraw/zinc/22/74/69/349227469.db2.gz JMTZHMGQZOSXDA-UHFFFAOYSA-N 0 0 228.682 3.655 10 0 BHAERN CCOC(=O)CCC1(c2ccccc2)CCCC1 ZINC000199597813 349262477 /nfs/dbraw/zinc/26/24/77/349262477.db2.gz ZZZGABYVQWCVGE-UHFFFAOYSA-N 0 0 246.350 3.842 10 0 BHAERN C1=Cc2cccc(OCc3ccccc3)c2C1 ZINC000199749391 349284659 /nfs/dbraw/zinc/28/46/59/349284659.db2.gz BTMDPAUQQWYDRJ-UHFFFAOYSA-N 0 0 222.287 3.835 10 0 BHAERN FC(F)(F)C(F)(F)/C=C\c1ccccc1 ZINC000199824697 347767879 /nfs/dbraw/zinc/76/78/79/347767879.db2.gz PULNHQARJVXNFQ-SREVYHEPSA-N 0 0 222.156 3.897 10 0 BHAERN FC(F)(F)C(F)(F)/C=C/c1ccccc1 ZINC000199824720 342716136 /nfs/dbraw/zinc/71/61/36/342716136.db2.gz PULNHQARJVXNFQ-VOTSOKGWSA-N 0 0 222.156 3.897 10 0 BHAERN COc1ccc2c(Cl)c3c(nc2c1)CCCC3 ZINC000199914871 344263286 /nfs/dbraw/zinc/26/32/86/344263286.db2.gz XZOKXDZWCVJGAJ-UHFFFAOYSA-N 0 0 247.725 3.776 10 0 BHAERN CCOC(=O)/C=C/C1(c2ccccc2)CCCC1 ZINC000199946300 344352245 /nfs/dbraw/zinc/35/22/45/344352245.db2.gz JZZAWZRJXWARMG-JLHYYAGUSA-N 0 0 244.334 3.618 10 0 BHAERN [N-]=[N+]=NCc1cc(Cl)cc(CN=[N+]=[N-])c1 ZINC000200058599 346404314 /nfs/dbraw/zinc/40/43/14/346404314.db2.gz ZOYOIRJBOCJFBF-UHFFFAOYSA-N 0 0 222.639 3.961 10 0 BHAERN C#Cc1cccc(-c2cccc(Cl)c2)c1 ZINC000200297112 347805181 /nfs/dbraw/zinc/80/51/81/347805181.db2.gz ZQJKYRUFXMWCEM-UHFFFAOYSA-N 0 0 212.679 3.988 10 0 BHAERN Fc1ccccc1-c1cc(-c2ccccc2)n[nH]1 ZINC000200335180 345930743 /nfs/dbraw/zinc/93/07/43/345930743.db2.gz OWXGXPSRERCJEE-UHFFFAOYSA-N 0 0 238.265 3.883 10 0 BHAERN C[Si](C)(C)Cc1c(Cl)cccc1C=O ZINC000200396810 343282849 /nfs/dbraw/zinc/28/28/49/343282849.db2.gz XGRDCIDJZVPMKV-UHFFFAOYSA-N 0 0 226.779 3.572 10 0 BHAERN COC(OC)(c1ccccc1)C1CCCCC1 ZINC000200524633 343297620 /nfs/dbraw/zinc/29/76/20/343297620.db2.gz LWMONDJFVPPBSS-UHFFFAOYSA-N 0 0 234.339 3.713 10 0 BHAERN Brc1ccccc1SC1CC1 ZINC000200633208 411136992 /nfs/dbraw/zinc/13/69/92/411136992.db2.gz RVVIRBMUXAQBRD-UHFFFAOYSA-N 0 0 229.142 3.704 10 0 BHAERN CC(=O)c1cc2c(c(C(C)(C)C)c1)OCCC2 ZINC000200647943 343304754 /nfs/dbraw/zinc/30/47/54/343304754.db2.gz QMSSAQPDBJIFAA-UHFFFAOYSA-N 0 0 232.323 3.512 10 0 BHAERN Cc1ccc(C)c(/C=C\Br)c1 ZINC000200857856 343318374 /nfs/dbraw/zinc/31/83/74/343318374.db2.gz XPFBZPYLCKMFAO-WAYWQWQTSA-N 0 0 211.102 3.669 10 0 BHAERN CC(C)c1ccc(Oc2ccncc2)cc1 ZINC000200885240 343318717 /nfs/dbraw/zinc/31/87/17/343318717.db2.gz JGCFJXVDHSAWRN-UHFFFAOYSA-N 0 0 213.280 3.997 10 0 BHAERN CCC(C)(C)c1nc2ccccc2s1 ZINC000200948422 343319539 /nfs/dbraw/zinc/31/95/39/343319539.db2.gz KLASLBYRBGYGBA-UHFFFAOYSA-N 0 0 205.326 3.984 10 0 BHAERN C=C1c2ccccc2CCc2cc(O)ccc21 ZINC000201071575 343325021 /nfs/dbraw/zinc/32/50/21/343325021.db2.gz PNGULJDOBSWYGH-UHFFFAOYSA-N 0 0 222.287 3.552 10 0 BHAERN OCc1cc2ccc(Oc3ccccc3)cc2o1 ZINC000201191568 343373315 /nfs/dbraw/zinc/37/33/15/343373315.db2.gz ZGRBTXIIWUMYJM-UHFFFAOYSA-N 0 0 240.258 3.717 10 0 BHAERN N#Cc1ccc(-c2cc(Cl)cc(C=O)c2)cc1 ZINC000201225482 343374205 /nfs/dbraw/zinc/37/42/05/343374205.db2.gz NMTHLVNDTWSURM-UHFFFAOYSA-N 0 0 241.677 3.691 10 0 BHAERN CC(C)(C)c1nc(Cl)nc2ccccc21 ZINC000201236827 385582483 /nfs/dbraw/zinc/58/24/83/385582483.db2.gz XWKHGKWPFLZCIK-UHFFFAOYSA-N 0 0 220.703 3.581 10 0 BHAERN C[C@@H]1CCCC[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000201302863 343376525 /nfs/dbraw/zinc/37/65/25/343376525.db2.gz VRICLVDPKHTMNO-NEPJUHHUSA-N 0 0 242.435 3.694 10 0 BHAERN C[C@H]1CCCC[C@@H]1C(=O)OCC[Si](C)(C)C ZINC000201302891 343376576 /nfs/dbraw/zinc/37/65/76/343376576.db2.gz VRICLVDPKHTMNO-RYUDHWBXSA-N 0 0 242.435 3.694 10 0 BHAERN C[C@@H]1CCCC[C@H]1C(=O)OCC[Si](C)(C)C ZINC000201302923 343376370 /nfs/dbraw/zinc/37/63/70/343376370.db2.gz VRICLVDPKHTMNO-VXGBXAGGSA-N 0 0 242.435 3.694 10 0 BHAERN C[C@H]1CCCC[C@H]1C(=O)OCC[Si](C)(C)C ZINC000201302958 343376569 /nfs/dbraw/zinc/37/65/69/343376569.db2.gz VRICLVDPKHTMNO-NWDGAFQWSA-N 0 0 242.435 3.694 10 0 BHAERN C[C@@H]1CCC[C@H](C(=O)OCC[Si](C)(C)C)C1 ZINC000201311454 343375833 /nfs/dbraw/zinc/37/58/33/343375833.db2.gz SFIPDSFPPMANIF-NEPJUHHUSA-N 0 0 242.435 3.694 10 0 BHAERN C[C@H]1CCC[C@H](C(=O)OCC[Si](C)(C)C)C1 ZINC000201311487 343376108 /nfs/dbraw/zinc/37/61/08/343376108.db2.gz SFIPDSFPPMANIF-RYUDHWBXSA-N 0 0 242.435 3.694 10 0 BHAERN C[C@@H]1CCC[C@@H](C(=O)OCC[Si](C)(C)C)C1 ZINC000201311521 343375853 /nfs/dbraw/zinc/37/58/53/343375853.db2.gz SFIPDSFPPMANIF-VXGBXAGGSA-N 0 0 242.435 3.694 10 0 BHAERN C[C@H]1CCC[C@@H](C(=O)OCC[Si](C)(C)C)C1 ZINC000201311553 343375939 /nfs/dbraw/zinc/37/59/39/343375939.db2.gz SFIPDSFPPMANIF-NWDGAFQWSA-N 0 0 242.435 3.694 10 0 BHAERN c1ccc(Oc2ccc3c(c2)NCCC3)cc1 ZINC000201314858 343376022 /nfs/dbraw/zinc/37/60/22/343376022.db2.gz XFQCKQSLKALXCN-UHFFFAOYSA-N 0 0 225.291 3.837 10 0 BHAERN COC(=O)/C=C(\c1ccccc1)C1CCCCC1 ZINC000201326675 589082547 /nfs/dbraw/zinc/08/25/47/589082547.db2.gz FOEORFNTGULYPJ-NTCAYCPXSA-N 0 0 244.334 3.823 10 0 BHAERN O=Cc1ccc(-c2cccc3cc[nH]c32)cc1 ZINC000201550573 589097959 /nfs/dbraw/zinc/09/79/59/589097959.db2.gz RPZMHFOCGOZUQF-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN C=C(OCCCC)c1cccc2c1CCC[C@@H]2O ZINC000201568767 343387721 /nfs/dbraw/zinc/38/77/21/343387721.db2.gz VGYSGESNVDRVQM-INIZCTEOSA-N 0 0 246.350 3.844 10 0 BHAERN C=C(OCCCC)c1cccc2c1CCC[C@H]2O ZINC000201568793 343387968 /nfs/dbraw/zinc/38/79/68/343387968.db2.gz VGYSGESNVDRVQM-MRXNPFEDSA-N 0 0 246.350 3.844 10 0 BHAERN CC(=O)c1ccc(-c2ccc(C)o2)s1 ZINC000201661261 538882115 /nfs/dbraw/zinc/88/21/15/538882115.db2.gz KORUOEMNDJQISO-UHFFFAOYSA-N 0 0 206.266 3.519 10 0 BHAERN O=C1SCCc2cccc(-c3ccccc3)c21 ZINC000201703012 343390313 /nfs/dbraw/zinc/39/03/13/343390313.db2.gz MQGCPBHBAPXMQN-UHFFFAOYSA-N 0 0 240.327 3.783 10 0 BHAERN C=C1c2ccccc2COc2cc(F)ccc21 ZINC000201989077 343392597 /nfs/dbraw/zinc/39/25/97/343392597.db2.gz ZEHJNULIJBBPOK-UHFFFAOYSA-N 0 0 226.250 3.780 10 0 BHAERN CC1CCC(c2ccc(N)cc2F)CC1 ZINC000202110978 368399708 /nfs/dbraw/zinc/39/97/08/368399708.db2.gz AVLBRYRLHWLAOI-UHFFFAOYSA-N 0 0 207.292 3.702 10 0 BHAERN CC1(c2ccc(F)cc2Br)CC1 ZINC000202254366 385594237 /nfs/dbraw/zinc/59/42/37/385594237.db2.gz VNFSBWOBKXEIHT-UHFFFAOYSA-N 0 0 229.092 3.640 10 0 BHAERN CC(C)(C)c1n[nH]c2ccc(Cl)cc21 ZINC000202269398 343419115 /nfs/dbraw/zinc/41/91/15/343419115.db2.gz YDOZUWIYZCLOCF-UHFFFAOYSA-N 0 0 208.692 3.514 10 0 BHAERN CCC(O)(CC)c1ccc2oc(C)cc2c1 ZINC000202433300 343425374 /nfs/dbraw/zinc/42/53/74/343425374.db2.gz AODVXCIAPJNYJI-UHFFFAOYSA-N 0 0 218.296 3.749 10 0 BHAERN CCC(O)(CC)c1ccc2sccc2c1 ZINC000202437311 368946952 /nfs/dbraw/zinc/94/69/52/368946952.db2.gz UMSFKGCFXMQUGC-UHFFFAOYSA-N 0 0 220.337 3.909 10 0 BHAERN C[C@H]1CCCN(c2ccc(Cl)cc2)C1 ZINC000202472775 343427735 /nfs/dbraw/zinc/42/77/35/343427735.db2.gz GQCSZBXYIIIAQG-JTQLQIEISA-N 0 0 209.720 3.576 10 0 BHAERN Cc1cc(CC(=O)C(C)(C)C)ccc1Cl ZINC000202549902 589177874 /nfs/dbraw/zinc/17/78/74/589177874.db2.gz MAAZALMZOPGEIZ-UHFFFAOYSA-N 0 0 224.731 3.806 10 0 BHAERN Cc1cccc2ccc(-c3ccncc3)nc12 ZINC000202604130 343440838 /nfs/dbraw/zinc/44/08/38/343440838.db2.gz CNZJITWDUOYAMJ-UHFFFAOYSA-N 0 0 220.275 3.605 10 0 BHAERN Cc1ccc(Cl)c(-c2ccccn2)c1 ZINC000202664543 343454050 /nfs/dbraw/zinc/45/40/50/343454050.db2.gz WUSLKVBGUITTGA-UHFFFAOYSA-N 0 0 203.672 3.710 10 0 BHAERN CC(=O)c1ccc2c(c1)[C@@H](C)CC[C@H]2C ZINC000202738152 397972924 /nfs/dbraw/zinc/97/29/24/397972924.db2.gz DBVBCTKPDMNKPY-ZJUUUORDSA-N 0 0 202.297 3.890 10 0 BHAERN CC(=O)c1ccc2c(c1)[C@@H](C)CC[C@@H]2C ZINC000202738170 397973109 /nfs/dbraw/zinc/97/31/09/397973109.db2.gz DBVBCTKPDMNKPY-UWVGGRQHSA-N 0 0 202.297 3.890 10 0 BHAERN CC(=O)c1ccc2c(c1)[C@H](C)CC[C@H]2C ZINC000202738193 397973081 /nfs/dbraw/zinc/97/30/81/397973081.db2.gz DBVBCTKPDMNKPY-NXEZZACHSA-N 0 0 202.297 3.890 10 0 BHAERN CC(=O)c1ccc2c(c1)[C@H](C)CC[C@@H]2C ZINC000202738212 397972858 /nfs/dbraw/zinc/97/28/58/397972858.db2.gz DBVBCTKPDMNKPY-VHSXEESVSA-N 0 0 202.297 3.890 10 0 BHAERN c1[nH]c2ncccc2c1-c1cccc2cnccc21 ZINC000202830242 368354868 /nfs/dbraw/zinc/35/48/68/368354868.db2.gz AIWIQFCKRNVZDW-UHFFFAOYSA-N 0 0 245.285 3.778 10 0 BHAERN CC(C)(C)c1c(F)cccc1Br ZINC000202930698 368400028 /nfs/dbraw/zinc/40/00/28/368400028.db2.gz QNZJIYOVBNBEHE-UHFFFAOYSA-N 0 0 231.108 3.886 10 0 BHAERN CC=C=Cc1ccc(Br)cc1 ZINC000203362365 348166422 /nfs/dbraw/zinc/16/64/22/348166422.db2.gz CVLPQTZJYXSMFE-UHFFFAOYSA-N 0 0 209.086 3.637 10 0 BHAERN CCC1(c2cccc(Br)c2)CC1 ZINC000203631761 589252713 /nfs/dbraw/zinc/25/27/13/589252713.db2.gz BJSLXXCBQXBHKW-UHFFFAOYSA-N 0 0 225.129 3.891 10 0 BHAERN C=Cn1cc(-c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000203681361 343542845 /nfs/dbraw/zinc/54/28/45/343542845.db2.gz UVHJOUMWBXHBQD-UHFFFAOYSA-N 0 0 248.669 3.817 10 0 BHAERN FC(F)(F)SC#Cc1cccc(Cl)c1 ZINC000203699522 348202961 /nfs/dbraw/zinc/20/29/61/348202961.db2.gz DYTSRIWRKUWHNS-UHFFFAOYSA-N 0 0 236.645 3.902 10 0 BHAERN CCC(=O)c1ccc(Cc2cccc(O)c2)cc1 ZINC000203769568 343545207 /nfs/dbraw/zinc/54/52/07/343545207.db2.gz WYKUFTPEFYUJEZ-UHFFFAOYSA-N 0 0 240.302 3.576 10 0 BHAERN Cc1nc(C)c(-c2ccc(N)c(Cl)c2)s1 ZINC000203805560 368512467 /nfs/dbraw/zinc/51/24/67/368512467.db2.gz CLRNAKMWAVBJLU-UHFFFAOYSA-N 0 0 238.743 3.663 10 0 BHAERN CCCCc1cnc(-c2cc(F)cc(F)c2)nc1 ZINC000203824071 343546909 /nfs/dbraw/zinc/54/69/09/343546909.db2.gz XCSBZENSEUJJMJ-UHFFFAOYSA-N 0 0 248.276 3.764 10 0 BHAERN Cc1nn(C(C)(C)C)c2cc(F)c(Cl)cc12 ZINC000203826205 368605288 /nfs/dbraw/zinc/60/52/88/368605288.db2.gz VWXLMXUAHQYFLQ-UHFFFAOYSA-N 0 0 240.709 3.892 10 0 BHAERN CCC1(CC)CCC(=O)c2ccccc21 ZINC000203826643 589276917 /nfs/dbraw/zinc/27/69/17/589276917.db2.gz WHKPNBTVCJQRMW-UHFFFAOYSA-N 0 0 202.297 3.721 10 0 BHAERN Cc1cc2c(cc1C)C(=O)CC1(CCCCC1)O2 ZINC000203893795 343547987 /nfs/dbraw/zinc/54/79/87/343547987.db2.gz VAHYQJATAMGEFE-UHFFFAOYSA-N 0 0 244.334 3.972 10 0 BHAERN CCNc1ccc(-c2ccc(F)cc2)cc1 ZINC000203974323 538953118 /nfs/dbraw/zinc/95/31/18/538953118.db2.gz JECSRMQFVDLJJK-UHFFFAOYSA-N 0 0 215.271 3.925 10 0 BHAERN COc1ccc(-c2ccc(C)cc2F)cc1 ZINC000204045261 583993427 /nfs/dbraw/zinc/99/34/27/583993427.db2.gz BKOKXJAJNBKDSB-UHFFFAOYSA-N 0 0 216.255 3.810 10 0 BHAERN CCC(=O)/C(C)=C/c1ccc(F)c(Cl)c1 ZINC000204056555 348255074 /nfs/dbraw/zinc/25/50/74/348255074.db2.gz ZWPIXMURAGNHGX-SOFGYWHQSA-N 0 0 226.678 3.862 10 0 BHAERN Cc1cc(-c2ccc(C#N)c(Cl)c2)c(C)[nH]1 ZINC000204100004 343557769 /nfs/dbraw/zinc/55/77/69/343557769.db2.gz VNPHDHSTMFFFDU-UHFFFAOYSA-N 0 0 230.698 3.824 10 0 BHAERN c1ccc(C[C@@H]2CNc3ccccc3S2)cc1 ZINC000204106522 343558019 /nfs/dbraw/zinc/55/80/19/343558019.db2.gz CNCXKAOLOXBIKI-CYBMUJFWSA-N 0 0 241.359 3.816 10 0 BHAERN c1ccc(C[C@H]2CNc3ccccc3S2)cc1 ZINC000204106529 343557874 /nfs/dbraw/zinc/55/78/74/343557874.db2.gz CNCXKAOLOXBIKI-ZDUSSCGKSA-N 0 0 241.359 3.816 10 0 BHAERN CNc1ccc(Br)cc1C(C)(C)C ZINC000204144901 369523833 /nfs/dbraw/zinc/52/38/33/369523833.db2.gz XBVNGPVGCASOSQ-UHFFFAOYSA-N 0 0 242.160 3.788 10 0 BHAERN CC(C)(C)OC(=O)c1ccc(O)c2ccccc12 ZINC000204156854 343560379 /nfs/dbraw/zinc/56/03/79/343560379.db2.gz ZGSDQBNGZWQKBJ-UHFFFAOYSA-N 0 0 244.290 3.501 10 0 BHAERN CCCC(C)(C)c1ccc(C(=O)OC)cc1 ZINC000204477773 343569749 /nfs/dbraw/zinc/56/97/49/343569749.db2.gz DVCDNIQDUYPHIW-UHFFFAOYSA-N 0 0 220.312 3.551 10 0 BHAERN Clc1ccnc2nc(-c3ccccc3)ccc12 ZINC000204625197 347440774 /nfs/dbraw/zinc/44/07/74/347440774.db2.gz DGCPKHOMMMLGCY-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN C/C=C(/CC)c1ccc(C(=O)OC)c(Cl)c1 ZINC000204672716 343583529 /nfs/dbraw/zinc/58/35/29/343583529.db2.gz HREXZPXNGXDUEO-WTKPLQERSA-N 0 0 238.714 3.940 10 0 BHAERN Cc1cc(O)c2ccc(Br)cc2c1 ZINC000204697713 348388686 /nfs/dbraw/zinc/38/86/86/348388686.db2.gz BNSQMKLDMSVEOB-UHFFFAOYSA-N 0 0 237.096 3.616 10 0 BHAERN COc1ccc2cc(O)c(C(C)C)cc2c1 ZINC000204706184 343585173 /nfs/dbraw/zinc/58/51/73/343585173.db2.gz DHBCUSUVWFRTSV-UHFFFAOYSA-N 0 0 216.280 3.677 10 0 BHAERN COc1cccc(-c2nc(C(C)(C)C)co2)c1 ZINC000204706413 343585009 /nfs/dbraw/zinc/58/50/09/343585009.db2.gz BCBMSTKHRAPHFK-UHFFFAOYSA-N 0 0 231.295 3.648 10 0 BHAERN COc1c(C)cc(Cl)c2ccccc21 ZINC000205037057 369758529 /nfs/dbraw/zinc/75/85/29/369758529.db2.gz FHLRDIRMRPBPFQ-UHFFFAOYSA-N 0 0 206.672 3.810 10 0 BHAERN CCCCOCc1nc2ccccc2s1 ZINC000205066767 168907826 /nfs/dbraw/zinc/90/78/26/168907826.db2.gz HPHMUJALPCDUFL-UHFFFAOYSA-N 0 0 221.325 3.613 10 0 BHAERN Cc1cccnc1-c1ccc(F)cc1Cl ZINC000205172300 343618690 /nfs/dbraw/zinc/61/86/90/343618690.db2.gz JIRNHGKNCGXKQP-UHFFFAOYSA-N 0 0 221.662 3.850 10 0 BHAERN Cc1ccc2nc(C(F)(F)F)cc(F)c2c1 ZINC000205341571 343624312 /nfs/dbraw/zinc/62/43/12/343624312.db2.gz OXFSLPOZMRMZNA-UHFFFAOYSA-N 0 0 229.176 3.701 10 0 BHAERN COc1ccc(-c2ccc(C)cc2F)cc1OC ZINC000205481827 348531531 /nfs/dbraw/zinc/53/15/31/348531531.db2.gz BPFZLFATNLUJNI-UHFFFAOYSA-N 0 0 246.281 3.818 10 0 BHAERN O=Cc1cccc(-c2cc3ccccc3o2)c1 ZINC000205595622 589454093 /nfs/dbraw/zinc/45/40/93/589454093.db2.gz KQNGCDDLWWXIGO-UHFFFAOYSA-N 0 0 222.243 3.912 10 0 BHAERN C[C@@H]1CCCN(c2ccc(Cl)cc2)C1 ZINC000205607927 343635626 /nfs/dbraw/zinc/63/56/26/343635626.db2.gz GQCSZBXYIIIAQG-SNVBAGLBSA-N 0 0 209.720 3.576 10 0 BHAERN CC=C(c1ccc(O)cc1)c1ccc(O)cc1 ZINC000205745725 345756674 /nfs/dbraw/zinc/75/66/74/345756674.db2.gz BYHUHFRKRKAQKU-UHFFFAOYSA-N 0 0 226.275 3.549 10 0 BHAERN C[Si](C)(/C=C/CC(F)(F)F)c1ccccc1 ZINC000205779423 385655224 /nfs/dbraw/zinc/65/52/24/385655224.db2.gz SXMHHEFZKUAYCN-UXBLZVDNSA-N 0 0 244.332 3.650 10 0 BHAERN CCCCOc1ccc2cc(CO)ccc2c1 ZINC000205940410 345757161 /nfs/dbraw/zinc/75/71/61/345757161.db2.gz YZDSGALHJRPLSP-UHFFFAOYSA-N 0 0 230.307 3.511 10 0 BHAERN COc1ccc(OCc2ccccc2)c(C)c1 ZINC000206303028 348631627 /nfs/dbraw/zinc/63/16/27/348631627.db2.gz IKOFEVLUJHECHR-UHFFFAOYSA-N 0 0 228.291 3.583 10 0 BHAERN F/C(Br)=C\c1cc(F)cc(F)c1 ZINC000206449549 537833058 /nfs/dbraw/zinc/83/30/58/537833058.db2.gz QXWSFXNSGSMANF-BAQGIRSFSA-N 0 0 237.018 3.628 10 0 BHAERN COc1cc(OC)cc([C@H]2CCCC[C@H]2C)c1 ZINC000206565265 343697658 /nfs/dbraw/zinc/69/76/58/343697658.db2.gz HNDQRSXEPXHHQD-ABAIWWIYSA-N 0 0 234.339 3.998 10 0 BHAERN COc1cc(OC)cc([C@H]2CCCC[C@@H]2C)c1 ZINC000206565299 348652669 /nfs/dbraw/zinc/65/26/69/348652669.db2.gz HNDQRSXEPXHHQD-NHYWBVRUSA-N 0 0 234.339 3.998 10 0 BHAERN COc1cc(OC)cc([C@@H]2CCCC[C@H]2C)c1 ZINC000206565336 345757910 /nfs/dbraw/zinc/75/79/10/345757910.db2.gz HNDQRSXEPXHHQD-IAQYHMDHSA-N 0 0 234.339 3.998 10 0 BHAERN COc1cc(OC)cc([C@@H]2CCCC[C@@H]2C)c1 ZINC000206565373 345757929 /nfs/dbraw/zinc/75/79/29/345757929.db2.gz HNDQRSXEPXHHQD-XHDPSFHLSA-N 0 0 234.339 3.998 10 0 BHAERN CCOP(=O)(/C=C\c1cccs1)OCC ZINC000206818013 348685982 /nfs/dbraw/zinc/68/59/82/348685982.db2.gz LQPOQNZLIWOQQR-FPLPWBNLSA-N 0 0 246.268 3.985 10 0 BHAERN Cc1cc(C)c(C=O)c(OCc2ccccc2)c1 ZINC000207007477 385670681 /nfs/dbraw/zinc/67/06/81/385670681.db2.gz YNNMEBXCOPITKO-UHFFFAOYSA-N 0 0 240.302 3.695 10 0 BHAERN CC(=O)n1c(C)cc2ccc(C(F)(F)F)cc21 ZINC000207072247 348724568 /nfs/dbraw/zinc/72/45/68/348724568.db2.gz HTFHFYWFIAEMHH-UHFFFAOYSA-N 0 0 241.212 3.629 10 0 BHAERN CC(C)=CCCC(C)(C)Br ZINC000207118451 345757834 /nfs/dbraw/zinc/75/78/34/345757834.db2.gz KZCJNJCVJIRQTM-UHFFFAOYSA-N 0 0 205.139 3.906 10 0 BHAERN CCCCc1cc(N)c(N)cc1CCCC ZINC000207322795 347576722 /nfs/dbraw/zinc/57/67/22/347576722.db2.gz UMWRTEKMRAEOFS-UHFFFAOYSA-N 0 0 220.360 3.536 10 0 BHAERN Cc1cc(C(=O)c2ccc(C(C)C)cc2)sn1 ZINC000207353540 342891024 /nfs/dbraw/zinc/89/10/24/342891024.db2.gz IFSFBHJEVXUDGZ-UHFFFAOYSA-N 0 0 245.347 3.806 10 0 BHAERN O=C1CC/C=C\CC/C=C\CC[C@H]1Cl ZINC000207404395 345758567 /nfs/dbraw/zinc/75/85/67/345758567.db2.gz HVKDEGPBMYENLF-USYKJSNUSA-N 0 0 212.720 3.630 10 0 BHAERN CCSC#Cc1ccc(Br)cc1 ZINC000207460588 345758474 /nfs/dbraw/zinc/75/84/74/345758474.db2.gz WOBUAIJIMFLLCE-UHFFFAOYSA-N 0 0 241.153 3.511 10 0 BHAERN CC(C)(C)[Si](C)(C)C(=O)c1cccc(O)c1 ZINC000208050398 385591692 /nfs/dbraw/zinc/59/16/92/385591692.db2.gz CVVSBPZYQLYVRV-UHFFFAOYSA-N 0 0 236.387 3.623 10 0 BHAERN Clc1ccnc2[nH]cc(-c3ccsc3)c21 ZINC000209474696 344152971 /nfs/dbraw/zinc/15/29/71/344152971.db2.gz IBGKPOIMDRLIPS-UHFFFAOYSA-N 0 0 234.711 3.945 10 0 BHAERN C/C=C(/C)c1ccc(Br)cc1 ZINC000209936133 344319598 /nfs/dbraw/zinc/31/95/98/344319598.db2.gz CXFYPVJZKHWCJX-BAQGIRSFSA-N 0 0 211.102 3.872 10 0 BHAERN COc1ccccc1/C=C/CSC(F)(F)F ZINC000210787699 349226478 /nfs/dbraw/zinc/22/64/78/349226478.db2.gz XGJWIYQBSYUBCC-GQCTYLIASA-N 0 0 248.269 3.961 10 0 BHAERN Cc1ccccc1[C@@H](C)NC/C(Cl)=C\Cl ZINC000211237046 591148857 /nfs/dbraw/zinc/14/88/57/591148857.db2.gz ROWDSDCDHUWZJY-UEUZTHOGSA-N 0 0 244.165 3.965 10 0 BHAERN Cc1ccccc1[C@H](C)NC/C(Cl)=C\Cl ZINC000211237096 591149221 /nfs/dbraw/zinc/14/92/21/591149221.db2.gz ROWDSDCDHUWZJY-VUBLIPMDSA-N 0 0 244.165 3.965 10 0 BHAERN C/C=C\C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000211350106 591161532 /nfs/dbraw/zinc/16/15/32/591161532.db2.gz CIACFZMCEGMJDW-FJOGCWAESA-N 0 0 231.339 3.563 10 0 BHAERN C/C=C\C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000211350173 591161667 /nfs/dbraw/zinc/16/16/67/591161667.db2.gz CIACFZMCEGMJDW-FOQNGQEVSA-N 0 0 231.339 3.563 10 0 BHAERN O=C(/C=C/c1ccccn1)c1ccccc1Cl ZINC000211465547 343965339 /nfs/dbraw/zinc/96/53/39/343965339.db2.gz IIFDNBJGGIXYGC-CMDGGOBGSA-N 0 0 243.693 3.631 10 0 BHAERN CC[C@@H]1CCC(=O)C[C@@H]1c1ccccc1 ZINC000211507529 591179238 /nfs/dbraw/zinc/17/92/38/591179238.db2.gz XBNZIHKLAKNHTB-RISCZKNCSA-N 0 0 202.297 3.549 10 0 BHAERN CC[C@H]1CCC(=O)C[C@@H]1c1ccccc1 ZINC000211507608 591179165 /nfs/dbraw/zinc/17/91/65/591179165.db2.gz XBNZIHKLAKNHTB-FZMZJTMJSA-N 0 0 202.297 3.549 10 0 BHAERN CC[C@@H]1CCC(=O)C[C@H]1c1ccccc1 ZINC000211507685 642465222 /nfs/dbraw/zinc/46/52/22/642465222.db2.gz XBNZIHKLAKNHTB-BXUZGUMPSA-N 0 0 202.297 3.549 10 0 BHAERN CC[C@H]1CCC(=O)C[C@H]1c1ccccc1 ZINC000211507781 591179427 /nfs/dbraw/zinc/17/94/27/591179427.db2.gz XBNZIHKLAKNHTB-SMDDNHRTSA-N 0 0 202.297 3.549 10 0 BHAERN Clc1cc2c(c(Cl)c1Cl)CCN2 ZINC000211563805 591201347 /nfs/dbraw/zinc/20/13/47/591201347.db2.gz UXNARSRQGRTROP-UHFFFAOYSA-N 0 0 222.502 3.615 10 0 BHAERN C(\c1ccccc1)=C1\CCCc2cnccc21 ZINC000211584226 344673029 /nfs/dbraw/zinc/67/30/29/344673029.db2.gz ZUZHUIIYQZWMSA-SDNWHVSQSA-N 0 0 221.303 3.959 10 0 BHAERN CCC1=C2CCCC[C@H]2O[C@@H]2CCC=C12 ZINC000211630081 398048992 /nfs/dbraw/zinc/04/89/92/398048992.db2.gz CZDYWYPPRHJXEU-ZIAGYGMSSA-N 0 0 204.313 3.755 10 0 BHAERN Clc1nccc2c(-c3ccccc3)c[nH]c21 ZINC000211646770 398049855 /nfs/dbraw/zinc/04/98/55/398049855.db2.gz VCLAXJOEYLSNNG-UHFFFAOYSA-N 0 0 228.682 3.883 10 0 BHAERN COc1nccc2c(-c3ccccc3C)c[nH]c21 ZINC000211647063 398050051 /nfs/dbraw/zinc/05/00/51/398050051.db2.gz CYPBZUNGFVNCBL-UHFFFAOYSA-N 0 0 238.290 3.547 10 0 BHAERN COc1nc(C)cc2c(-c3ccccc3)c[nH]c21 ZINC000211647366 175390974 /nfs/dbraw/zinc/39/09/74/175390974.db2.gz KFOAPWAVISMKOX-UHFFFAOYSA-N 0 0 238.290 3.547 10 0 BHAERN CC[C@](C)(O)c1c(C)c(C)c(C)c(C)c1C ZINC000211660190 385688599 /nfs/dbraw/zinc/68/85/99/385688599.db2.gz LFQUCWPXXDPGOT-HNNXBMFYSA-N 0 0 220.356 3.846 10 0 BHAERN CC[C@@](C)(O)c1c(C)c(C)c(C)c(C)c1C ZINC000211660259 171187835 /nfs/dbraw/zinc/18/78/35/171187835.db2.gz LFQUCWPXXDPGOT-OAHLLOKOSA-N 0 0 220.356 3.846 10 0 BHAERN CCSc1cc(C)nc(Nc2ccccc2)n1 ZINC000211683791 385687909 /nfs/dbraw/zinc/68/79/09/385687909.db2.gz PVEVWPWSLNRMHC-UHFFFAOYSA-N 0 0 245.351 3.641 10 0 BHAERN Cc1cnc(-c2cnc3ccccc3c2)s1 ZINC000211685284 179569846 /nfs/dbraw/zinc/56/98/46/179569846.db2.gz ZYEPDDWWHSHVCD-UHFFFAOYSA-N 0 0 226.304 3.667 10 0 BHAERN Cc1cnc(-c2ccnc3ccccc32)s1 ZINC000211704055 385692075 /nfs/dbraw/zinc/69/20/75/385692075.db2.gz HLXUBLZAWHLSTQ-UHFFFAOYSA-N 0 0 226.304 3.667 10 0 BHAERN Cc1cnc(-c2cccc3ncccc32)s1 ZINC000211713018 385691218 /nfs/dbraw/zinc/69/12/18/385691218.db2.gz ZMESWJGDSWNCRF-UHFFFAOYSA-N 0 0 226.304 3.667 10 0 BHAERN COc1ccc([C@H](C)c2ccccc2OC)cc1 ZINC000211748678 187492328 /nfs/dbraw/zinc/49/23/28/187492328.db2.gz FEXATHSESOHBRM-LBPRGKRZSA-N 0 0 242.318 3.856 10 0 BHAERN COc1ccc([C@@H](C)c2ccccc2OC)cc1 ZINC000211748761 187318466 /nfs/dbraw/zinc/31/84/66/187318466.db2.gz FEXATHSESOHBRM-GFCCVEGCSA-N 0 0 242.318 3.856 10 0 BHAERN CC1=CN(C(=O)c2ccccc2)Cc2ccccc21 ZINC000211763857 168122292 /nfs/dbraw/zinc/12/22/92/168122292.db2.gz LQCIQAANKZRMRZ-UHFFFAOYSA-N 0 0 249.313 3.703 10 0 BHAERN Brc1cccc(Nc2cccnc2)c1 ZINC000211772162 166101782 /nfs/dbraw/zinc/10/17/82/166101782.db2.gz HIWOAPLMQULLHB-UHFFFAOYSA-N 0 0 249.111 3.588 10 0 BHAERN CC(=O)OCc1csc2ccc(Cl)cc12 ZINC000211838508 188536393 /nfs/dbraw/zinc/53/63/93/188536393.db2.gz UJAMHUMDTTYWEB-UHFFFAOYSA-N 0 0 240.711 3.618 10 0 BHAERN CCc1ccc2cnccc2c1Br ZINC000211844573 385695164 /nfs/dbraw/zinc/69/51/64/385695164.db2.gz LUBLWXXDXUAREB-UHFFFAOYSA-N 0 0 236.112 3.560 10 0 BHAERN O[C@H]1C[C@H](c2ccccc2)Sc2ccccc21 ZINC000211845858 183249305 /nfs/dbraw/zinc/24/93/05/183249305.db2.gz RCARQLFXTUCHCC-DZGCQCFKSA-N 0 0 242.343 3.957 10 0 BHAERN O[C@@H]1C[C@@H](c2ccccc2)Sc2ccccc21 ZINC000211845941 183211587 /nfs/dbraw/zinc/21/15/87/183211587.db2.gz RCARQLFXTUCHCC-HIFRSBDPSA-N 0 0 242.343 3.957 10 0 BHAERN O[C@@H]1C[C@H](c2ccccc2)Sc2ccccc21 ZINC000211846016 183212462 /nfs/dbraw/zinc/21/24/62/183212462.db2.gz RCARQLFXTUCHCC-UKRRQHHQSA-N 0 0 242.343 3.957 10 0 BHAERN Cc1ccc2nc(C(F)(F)Cl)ccc2c1 ZINC000211852153 385697828 /nfs/dbraw/zinc/69/78/28/385697828.db2.gz CYNUWBUYWUJEFS-UHFFFAOYSA-N 0 0 227.641 3.831 10 0 BHAERN C[Si](C)(C)C(F)(F)c1ccc(F)cc1 ZINC000212038110 349296668 /nfs/dbraw/zinc/29/66/68/349296668.db2.gz VJSFRMVRPGPWTG-UHFFFAOYSA-N 0 0 218.294 3.795 10 0 BHAERN Oc1cccc(/C=C/c2ccc(F)cc2)c1 ZINC000212147890 344721995 /nfs/dbraw/zinc/72/19/95/344721995.db2.gz WVZXISFZLXRITR-SNAWJCMRSA-N 0 0 214.239 3.702 10 0 BHAERN CSc1ccc(/C=C/CCCCO)cc1 ZINC000212593122 343997647 /nfs/dbraw/zinc/99/76/47/343997647.db2.gz VSNVSGMRTADIHV-GQCTYLIASA-N 0 0 222.353 3.584 10 0 BHAERN C/C=C/C=C\C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000212860809 641688192 /nfs/dbraw/zinc/68/81/92/641688192.db2.gz LMFUBEFLSSQJBV-WRGWHIHZSA-N 0 0 249.741 3.650 10 0 BHAERN CC1(C)CCC(=O)c2ccc(Cl)cc21 ZINC000213429535 591472168 /nfs/dbraw/zinc/47/21/68/591472168.db2.gz AJAWHBFQRYKQAZ-UHFFFAOYSA-N 0 0 208.688 3.594 10 0 BHAERN Cc1ccc2nc(C(F)(F)F)sc2c1 ZINC000213586054 385777815 /nfs/dbraw/zinc/77/78/15/385777815.db2.gz CYBOCWUHPCSUEB-UHFFFAOYSA-N 0 0 217.215 3.624 10 0 BHAERN Cc1cccc2sc(C(F)(F)F)nc21 ZINC000213586150 179234446 /nfs/dbraw/zinc/23/44/46/179234446.db2.gz DJECJUDTHYIZIS-UHFFFAOYSA-N 0 0 217.215 3.624 10 0 BHAERN Cc1ccc(C(=S)Nc2ccccc2)s1 ZINC000213690863 345635230 /nfs/dbraw/zinc/63/52/30/345635230.db2.gz XISSERWGFHYHLL-UHFFFAOYSA-N 0 0 233.361 3.844 10 0 BHAERN CCOC(=O)/C=C(/C)c1cccc2ccccc21 ZINC000213766507 591499192 /nfs/dbraw/zinc/49/91/92/591499192.db2.gz YVNPFTRFILCTQG-QXMHVHEDSA-N 0 0 240.302 3.806 10 0 BHAERN Cc1nccnc1N[C@@H](C)c1ccccc1Cl ZINC000214348087 358778090 /nfs/dbraw/zinc/77/80/90/358778090.db2.gz IXNFCXNMOTWQCF-VIFPVBQESA-N 0 0 247.729 3.612 10 0 BHAERN Cc1nccnc1N[C@H](C)c1ccccc1Cl ZINC000214348148 358778133 /nfs/dbraw/zinc/77/81/33/358778133.db2.gz IXNFCXNMOTWQCF-SECBINFHSA-N 0 0 247.729 3.612 10 0 BHAERN CCc1ccc([C@@H](C)Nc2nccnc2C)cc1 ZINC000214384179 134699846 /nfs/dbraw/zinc/69/98/46/134699846.db2.gz CNIVUTVWIGXSPE-LLVKDONJSA-N 0 0 241.338 3.521 10 0 BHAERN CCc1ccc([C@H](C)Nc2nccnc2C)cc1 ZINC000214384238 134700410 /nfs/dbraw/zinc/70/04/10/134700410.db2.gz CNIVUTVWIGXSPE-NSHDSACASA-N 0 0 241.338 3.521 10 0 BHAERN FC(F)(F)c1nc2c(cccc2Cl)s1 ZINC000214403797 385816463 /nfs/dbraw/zinc/81/64/63/385816463.db2.gz NMYFDIZXOXFARA-UHFFFAOYSA-N 0 0 237.633 3.969 10 0 BHAERN FC(F)(F)c1nc2cc(Cl)ccc2s1 ZINC000214403884 385816958 /nfs/dbraw/zinc/81/69/58/385816958.db2.gz SZFFAVHBQYPINH-UHFFFAOYSA-N 0 0 237.633 3.969 10 0 BHAERN Cc1nccnc1N[C@@H](C)c1cccc(Cl)c1 ZINC000214553137 358875835 /nfs/dbraw/zinc/87/58/35/358875835.db2.gz MSFASAWYVNBHFK-VIFPVBQESA-N 0 0 247.729 3.612 10 0 BHAERN Cc1nccnc1N[C@H](C)c1cccc(Cl)c1 ZINC000214553192 358875442 /nfs/dbraw/zinc/87/54/42/358875442.db2.gz MSFASAWYVNBHFK-SECBINFHSA-N 0 0 247.729 3.612 10 0 BHAERN COc1c(C)cc(-c2ccccc2C=O)cc1C ZINC000214955032 591904591 /nfs/dbraw/zinc/90/45/91/591904591.db2.gz AVTYMJACTAPFSX-UHFFFAOYSA-N 0 0 240.302 3.792 10 0 BHAERN Cc1ccc(F)c(NCc2ccccc2)c1F ZINC000215030335 368138771 /nfs/dbraw/zinc/13/87/71/368138771.db2.gz KNOUNJZHXOQSGO-UHFFFAOYSA-N 0 0 233.261 3.885 10 0 BHAERN COc1ccc2c(c1)C(C(F)(F)F)=CCC2 ZINC000215285058 345844791 /nfs/dbraw/zinc/84/47/91/345844791.db2.gz SJFLTALYMBFMOW-UHFFFAOYSA-N 0 0 228.213 3.587 10 0 BHAERN Fc1ccc2c(Cl)cnc(Cl)c2c1 ZINC000215404136 345847286 /nfs/dbraw/zinc/84/72/86/345847286.db2.gz POQMPLFHBMTYGD-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN CC[C@@H]1CNc2c1cc(Cl)cc2Cl ZINC000215409805 370957540 /nfs/dbraw/zinc/95/75/40/370957540.db2.gz NVXPYOZTOXNFOI-ZCFIWIBFSA-N 0 0 216.111 3.913 10 0 BHAERN CC[C@H]1CNc2c1cc(Cl)cc2Cl ZINC000215409851 353135207 /nfs/dbraw/zinc/13/52/07/353135207.db2.gz NVXPYOZTOXNFOI-LURJTMIESA-N 0 0 216.111 3.913 10 0 BHAERN CCCNc1c(Cl)cc(F)cc1Cl ZINC000215546856 343535758 /nfs/dbraw/zinc/53/57/58/343535758.db2.gz DUVALNGFMQKIJC-UHFFFAOYSA-N 0 0 222.090 3.954 10 0 BHAERN CC(C)(C)Cn1cccc1Cc1cccnc1 ZINC000215547884 344128602 /nfs/dbraw/zinc/12/86/02/344128602.db2.gz PTUHHJYLIJUDLD-UHFFFAOYSA-N 0 0 228.339 3.520 10 0 BHAERN CC(C)Nc1c(Cl)cc(F)cc1Cl ZINC000215561976 371581180 /nfs/dbraw/zinc/58/11/80/371581180.db2.gz SYDSMHFTCGJFOJ-UHFFFAOYSA-N 0 0 222.090 3.953 10 0 BHAERN CCNc1c(Cl)cc(F)cc1Cl ZINC000215567858 371582022 /nfs/dbraw/zinc/58/20/22/371582022.db2.gz ZZUUBJQAOIDSMM-UHFFFAOYSA-N 0 0 208.063 3.564 10 0 BHAERN FCCNc1c(Cl)cc(F)cc1Cl ZINC000215580732 345413447 /nfs/dbraw/zinc/41/34/47/345413447.db2.gz DQEMHHNJSHWVLH-UHFFFAOYSA-N 0 0 226.053 3.514 10 0 BHAERN C(=C\c1cn2ccccc2n1)\Cc1ccccc1 ZINC000215593661 533355248 /nfs/dbraw/zinc/35/52/48/533355248.db2.gz VZOMCIJNFUKGFD-POHAHGRESA-N 0 0 234.302 3.590 10 0 BHAERN CSc1ccccc1-c1cccc(C=O)c1 ZINC000215636991 368362267 /nfs/dbraw/zinc/36/22/67/368362267.db2.gz RBSCZMKLQKFZMS-UHFFFAOYSA-N 0 0 228.316 3.888 10 0 BHAERN Cc1ccccc1-c1ncccc1Br ZINC000215641989 371606549 /nfs/dbraw/zinc/60/65/49/371606549.db2.gz FBVWOAZKIUDEKQ-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN Cc1cccc(-c2ncccc2Br)c1 ZINC000215642059 371606897 /nfs/dbraw/zinc/60/68/97/371606897.db2.gz IAFVSFDKJYRJFA-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN CC[C@@H](C)Nc1c(F)cc(F)cc1Cl ZINC000215736328 349915218 /nfs/dbraw/zinc/91/52/18/349915218.db2.gz SDRZYIHOQBQQAI-ZCFIWIBFSA-N 0 0 219.662 3.829 10 0 BHAERN CC[C@H](C)Nc1c(F)cc(F)cc1Cl ZINC000215736383 371623804 /nfs/dbraw/zinc/62/38/04/371623804.db2.gz SDRZYIHOQBQQAI-LURJTMIESA-N 0 0 219.662 3.829 10 0 BHAERN CCc1cccc(Cl)c1Br ZINC000215743885 349916320 /nfs/dbraw/zinc/91/63/20/349916320.db2.gz JCRKNLJCRIUGCY-UHFFFAOYSA-N 0 0 219.509 3.665 10 0 BHAERN Cc1ccc(Cl)c(Br)c1C ZINC000215743949 349916250 /nfs/dbraw/zinc/91/62/50/349916250.db2.gz VKLVRTHTYBBACJ-UHFFFAOYSA-N 0 0 219.509 3.719 10 0 BHAERN Cc1cc(Cl)c(C)c(Br)c1 ZINC000215744020 371623987 /nfs/dbraw/zinc/62/39/87/371623987.db2.gz UJHDOTLCUPPNOW-UHFFFAOYSA-N 0 0 219.509 3.719 10 0 BHAERN Fc1cc(F)c(NC2CCC2)c(Cl)c1 ZINC000215745635 371623518 /nfs/dbraw/zinc/62/35/18/371623518.db2.gz AHDGWCROZUBORI-UHFFFAOYSA-N 0 0 217.646 3.583 10 0 BHAERN COc1cc2ccc(SC)cc2cc1OC ZINC000215773973 349923053 /nfs/dbraw/zinc/92/30/53/349923053.db2.gz DXINKCCVZQOXMX-UHFFFAOYSA-N 0 0 234.320 3.579 10 0 BHAERN Cc1cc(C(F)F)ccc1Br ZINC000215839595 345849344 /nfs/dbraw/zinc/84/93/44/345849344.db2.gz DVPFXUNGDTUPRJ-UHFFFAOYSA-N 0 0 221.044 3.695 10 0 BHAERN Cc1cccc(C(F)F)c1Br ZINC000215839655 350881412 /nfs/dbraw/zinc/88/14/12/350881412.db2.gz MVZONGSQVAHXIJ-UHFFFAOYSA-N 0 0 221.044 3.695 10 0 BHAERN Cc1c(Br)cccc1C(F)F ZINC000215839718 350881612 /nfs/dbraw/zinc/88/16/12/350881612.db2.gz BDRKYXOWBFCITN-UHFFFAOYSA-N 0 0 221.044 3.695 10 0 BHAERN Cc1cccc(Br)c1C(F)F ZINC000215839780 350881360 /nfs/dbraw/zinc/88/13/60/350881360.db2.gz PCUNSNMWEPDWAS-UHFFFAOYSA-N 0 0 221.044 3.695 10 0 BHAERN C[C@H](F)c1c(F)cccc1Br ZINC000215839968 350881541 /nfs/dbraw/zinc/88/15/41/350881541.db2.gz JLJDKICNZLZLAQ-YFKPBYRVSA-N 0 0 221.044 3.619 10 0 BHAERN C[C@@H](F)c1c(F)cccc1Br ZINC000215840013 350881509 /nfs/dbraw/zinc/88/15/09/350881509.db2.gz JLJDKICNZLZLAQ-RXMQYKEDSA-N 0 0 221.044 3.619 10 0 BHAERN Cc1ccc(Br)cc1C(F)F ZINC000215840073 349934251 /nfs/dbraw/zinc/93/42/51/349934251.db2.gz IWHODKIODYMCSW-UHFFFAOYSA-N 0 0 221.044 3.695 10 0 BHAERN Cc1ccc(C(F)F)cc1Br ZINC000215840135 350881585 /nfs/dbraw/zinc/88/15/85/350881585.db2.gz CGWTYUUPVBIOJS-UHFFFAOYSA-N 0 0 221.044 3.695 10 0 BHAERN Cc1ccc([C@H](O)c2c(C)cccc2C)cc1 ZINC000215890138 349941051 /nfs/dbraw/zinc/94/10/51/349941051.db2.gz CTTRWBXROCUHCP-INIZCTEOSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1ccc([C@@H](O)c2c(C)cccc2C)cc1 ZINC000215890182 349940655 /nfs/dbraw/zinc/94/06/55/349940655.db2.gz CTTRWBXROCUHCP-MRXNPFEDSA-N 0 0 226.319 3.694 10 0 BHAERN Cc1nccc(-c2ccc(Cl)cc2F)c1C=O ZINC000215916839 342694060 /nfs/dbraw/zinc/69/40/60/342694060.db2.gz ZSTRKXUXQJLNEN-UHFFFAOYSA-N 0 0 249.672 3.662 10 0 BHAERN CCO[C@H]1CC[C@@H](c2ccccc2)CC1 ZINC000215943981 170505680 /nfs/dbraw/zinc/50/56/80/170505680.db2.gz KSXIJKKDOYBAKP-HDJSIYSDSA-N 0 0 204.313 3.749 10 0 BHAERN COC(=O)c1cc(C)c2cc(Cl)ccc2c1 ZINC000215953886 342714977 /nfs/dbraw/zinc/71/49/77/342714977.db2.gz UOEAJDFCFJHHFT-UHFFFAOYSA-N 0 0 234.682 3.588 10 0 BHAERN CSCc1cccc(C(C)C)c1NC(C)=O ZINC000215959302 349958114 /nfs/dbraw/zinc/95/81/14/349958114.db2.gz QHZZRVNJATTZSG-UHFFFAOYSA-N 0 0 237.368 3.631 10 0 BHAERN CCOc1noc(C)c1/C=C/c1ccccc1 ZINC000216000308 342729980 /nfs/dbraw/zinc/72/99/80/342729980.db2.gz HHXZPGZYYHCCBF-MDZDMXLPSA-N 0 0 229.279 3.552 10 0 BHAERN COc1ccc(-c2cc3cc[nH]c3cc2F)cc1 ZINC000216011741 342730325 /nfs/dbraw/zinc/73/03/25/342730325.db2.gz QGTBEQSAXRNPTF-UHFFFAOYSA-N 0 0 241.265 3.983 10 0 BHAERN CC(/C=C/Br)=C\c1ccccc1 ZINC000216035803 342743750 /nfs/dbraw/zinc/74/37/50/342743750.db2.gz CSJRLSUNRKMCAP-XBLVEGMJSA-N 0 0 223.113 3.999 10 0 BHAERN Cc1cc(Cl)c(F)c(Br)c1 ZINC000216064789 363482318 /nfs/dbraw/zinc/48/23/18/363482318.db2.gz IFMMUBOQBFAITL-UHFFFAOYSA-N 0 0 223.472 3.550 10 0 BHAERN Cc1c(Cl)cc(F)cc1Br ZINC000216064855 363481823 /nfs/dbraw/zinc/48/18/23/363481823.db2.gz ADIZFWOXYXDVDL-UHFFFAOYSA-N 0 0 223.472 3.550 10 0 BHAERN Cc1ccc(C)c(Br)c1Cl ZINC000216077258 342780869 /nfs/dbraw/zinc/78/08/69/342780869.db2.gz HHAIVQSENAZVLF-UHFFFAOYSA-N 0 0 219.509 3.719 10 0 BHAERN Cc1cc(C)c(Br)cc1Cl ZINC000216077321 342780848 /nfs/dbraw/zinc/78/08/48/342780848.db2.gz BAPYEQQBYPVZRB-UHFFFAOYSA-N 0 0 219.509 3.719 10 0 BHAERN C[C@@H]1c2ccccc2[C@H]2Nc3ccccc3C(=O)[C@H]12 ZINC000216162565 342780955 /nfs/dbraw/zinc/78/09/55/342780955.db2.gz JQTLFZWBJXLIKN-UHNFBRDESA-N 0 0 249.313 3.769 10 0 BHAERN C[C@@H]1c2ccccc2[C@@H]2Nc3ccccc3C(=O)[C@@H]21 ZINC000216162650 342780865 /nfs/dbraw/zinc/78/08/65/342780865.db2.gz JQTLFZWBJXLIKN-GTTSAUCSSA-N 0 0 249.313 3.769 10 0 BHAERN Cc1ccccc1-c1c(O)c(C=O)ccc1Cl ZINC000216207461 342783325 /nfs/dbraw/zinc/78/33/25/342783325.db2.gz YZVOTHBXADGSNC-UHFFFAOYSA-N 0 0 246.693 3.834 10 0 BHAERN O=[N+]([O-])/C=C\c1ccc(SC(F)(F)F)cc1 ZINC000216243125 385863663 /nfs/dbraw/zinc/86/36/63/385863663.db2.gz BGMXZKGFLPOROA-WAYWQWQTSA-N 0 0 249.213 3.546 10 0 BHAERN Cc1c(Cl)ccc(F)c1Br ZINC000216281971 371731772 /nfs/dbraw/zinc/73/17/72/371731772.db2.gz MJYCSAXOCFDQLJ-UHFFFAOYSA-N 0 0 223.472 3.550 10 0 BHAERN Cc1c(Cl)c(F)ccc1Br ZINC000216282096 363490061 /nfs/dbraw/zinc/49/00/61/363490061.db2.gz XCXFOIJSTSEDAI-UHFFFAOYSA-N 0 0 223.472 3.550 10 0 BHAERN CCCCC(c1ccc[nH]1)c1ccc[nH]1 ZINC000216290039 385864119 /nfs/dbraw/zinc/86/41/19/385864119.db2.gz WRXGXWFZJKZNCF-UHFFFAOYSA-N 0 0 202.301 3.665 10 0 BHAERN FC(F)(Cl)C(F)(F)c1ccccc1 ZINC000216290884 527661480 /nfs/dbraw/zinc/66/14/80/527661480.db2.gz PFDHYABRKXGCGO-UHFFFAOYSA-N 0 0 212.573 3.610 10 0 BHAERN O=Cc1cc2sc3ccsc3c2s1 ZINC000216330656 349994306 /nfs/dbraw/zinc/99/43/06/349994306.db2.gz VSYKEHOEKJLPOT-UHFFFAOYSA-N 0 0 224.331 3.990 10 0 BHAERN Nc1cc(Cl)c(C(F)(F)F)cc1Cl ZINC000216457867 371755904 /nfs/dbraw/zinc/75/59/04/371755904.db2.gz MARZXJBMONHSOK-UHFFFAOYSA-N 0 0 230.016 3.594 10 0 BHAERN CCOC(=O)CCCCc1ccc(Cl)cc1 ZINC000216589698 350006659 /nfs/dbraw/zinc/00/66/59/350006659.db2.gz BYIQDZKENFTALC-UHFFFAOYSA-N 0 0 240.730 3.616 10 0 BHAERN O=C(CCC1CCC(F)(F)CC1)C(F)(F)F ZINC000216677473 344151230 /nfs/dbraw/zinc/15/12/30/344151230.db2.gz LOAKPPIXAOEQOV-UHFFFAOYSA-N 0 0 244.203 3.724 10 0 BHAERN Fc1c(Cl)ccc(Cl)c1[C@@H]1CCC[NH2+]1 ZINC000216834869 371822946 /nfs/dbraw/zinc/82/29/46/371822946.db2.gz NCFBTMVUFNHYMM-QMMMGPOBSA-N 0 0 234.101 3.557 10 0 BHAERN Cc1cc(Br)cc(F)c1C(F)F ZINC000217086970 350037620 /nfs/dbraw/zinc/03/76/20/350037620.db2.gz KHCKFZDWLORJOM-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN O=c1oc2ccccc2c2c(Cl)cccc12 ZINC000217463382 343278696 /nfs/dbraw/zinc/27/86/96/343278696.db2.gz YLPLDAQEGACGOY-UHFFFAOYSA-N 0 0 230.650 3.600 10 0 BHAERN Fc1cc(C(F)F)cc(Br)c1F ZINC000217463652 371959850 /nfs/dbraw/zinc/95/98/50/371959850.db2.gz HMCQOQMUYAZPHM-UHFFFAOYSA-N 0 0 242.997 3.665 10 0 BHAERN CCc1cc(Br)c(OC)c(CC)c1 ZINC000217478800 371962001 /nfs/dbraw/zinc/96/20/01/371962001.db2.gz HNKHUZJVHNABCK-UHFFFAOYSA-N 0 0 243.144 3.583 10 0 BHAERN CCCc1ccc(-c2ccc(CO)cc2)c(F)c1 ZINC000217522590 343278770 /nfs/dbraw/zinc/27/87/70/343278770.db2.gz NFGJHIQLGQWRIN-UHFFFAOYSA-N 0 0 244.309 3.938 10 0 BHAERN CC(C)Oc1ccccc1-c1ccc(C=O)o1 ZINC000217556906 585033716 /nfs/dbraw/zinc/03/37/16/585033716.db2.gz IPDWMMLEMQKMNP-UHFFFAOYSA-N 0 0 230.263 3.546 10 0 BHAERN COc1cc2nc(Cl)cc(Cl)c2cc1F ZINC000217580184 344200858 /nfs/dbraw/zinc/20/08/58/344200858.db2.gz IVBOMALKVUSRLD-UHFFFAOYSA-N 0 0 246.068 3.689 10 0 BHAERN CC(=O)c1cc(Br)c(Cl)cc1C ZINC000217587097 371981385 /nfs/dbraw/zinc/98/13/85/371981385.db2.gz ALDIZEMMEJUTMA-UHFFFAOYSA-N 0 0 247.519 3.614 10 0 BHAERN Cc1cccc(-c2nc3ccc(Cl)nc3o2)c1 ZINC000217635211 364515895 /nfs/dbraw/zinc/51/58/95/364515895.db2.gz YRDTYZKXOGWVTC-UHFFFAOYSA-N 0 0 244.681 3.852 10 0 BHAERN Cc1ccc(-c2nc3ccc(Cl)nc3o2)cc1 ZINC000217635443 364515806 /nfs/dbraw/zinc/51/58/06/364515806.db2.gz BRLHJXYJJLSAKS-UHFFFAOYSA-N 0 0 244.681 3.852 10 0 BHAERN CC(=O)c1ccc2sc(C(F)(F)F)nc2c1 ZINC000217680330 371996933 /nfs/dbraw/zinc/99/69/33/371996933.db2.gz KOTLLFZVZBIPAV-UHFFFAOYSA-N 0 0 245.225 3.518 10 0 BHAERN CCCn1ccc2cc(N)cc(C3CC3)c21 ZINC000217731477 372003157 /nfs/dbraw/zinc/00/31/57/372003157.db2.gz RXCMEYVVFDLZQF-UHFFFAOYSA-N 0 0 214.312 3.511 10 0 BHAERN FC(F)c1c[nH]c2ccc(Br)cc21 ZINC000217770077 372009602 /nfs/dbraw/zinc/00/96/02/372009602.db2.gz CFACIULJCUDLPO-UHFFFAOYSA-N 0 0 246.054 3.868 10 0 BHAERN CC(=O)c1cc(Br)cc(Cl)c1C ZINC000217869660 350076266 /nfs/dbraw/zinc/07/62/66/350076266.db2.gz KNGCLIZUNGKWMY-UHFFFAOYSA-N 0 0 247.519 3.614 10 0 BHAERN Fc1cc2[nH]cc(Br)c2cc1Cl ZINC000217938492 635239466 /nfs/dbraw/zinc/23/94/66/635239466.db2.gz YVAPHZIIXGSXAN-UHFFFAOYSA-N 0 0 248.482 3.723 10 0 BHAERN FCc1cc(Cl)ccc1Br ZINC000217982601 350079016 /nfs/dbraw/zinc/07/90/16/350079016.db2.gz GUAQCDABIKMLFU-UHFFFAOYSA-N 0 0 223.472 3.572 10 0 BHAERN CC1(C)CCc2c(Br)cccc2C1 ZINC000218019814 344433355 /nfs/dbraw/zinc/43/33/55/344433355.db2.gz WUAMCPKNAWRMHV-UHFFFAOYSA-N 0 0 239.156 3.964 10 0 BHAERN Cc1cc(Cl)cc2c(Cl)nccc12 ZINC000218060162 388386379 /nfs/dbraw/zinc/38/63/79/388386379.db2.gz KJRAMQCEZAQFNT-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN C/C=C(\C)c1ccccc1Br ZINC000218122398 344460685 /nfs/dbraw/zinc/46/06/85/344460685.db2.gz KTQMEMBLFJRIGX-FPYGCLRLSA-N 0 0 211.102 3.872 10 0 BHAERN CC(C)Oc1cc(C2CC2)c(C2CC2)cc1CO ZINC000218324150 345850598 /nfs/dbraw/zinc/85/05/98/345850598.db2.gz JBEREIGDGFZIJO-UHFFFAOYSA-N 0 0 246.350 3.721 10 0 BHAERN c1csc(-c2cccc(-c3nccs3)c2)n1 ZINC000218359908 350090429 /nfs/dbraw/zinc/09/04/29/350090429.db2.gz OXDROUJCGLQAAH-UHFFFAOYSA-N 0 0 244.344 3.934 10 0 BHAERN CC(C)(CF)c1ccc(Br)cc1 ZINC000218485786 345851737 /nfs/dbraw/zinc/85/17/37/345851737.db2.gz LTWSXLBQJSVAGN-UHFFFAOYSA-N 0 0 231.108 3.696 10 0 BHAERN CC/C=C/C=C/P(=O)(OCC)OCC ZINC000218516498 350095250 /nfs/dbraw/zinc/09/52/50/350095250.db2.gz JJWHESZZODVMBW-XBLVEGMJSA-N 0 0 218.233 3.732 10 0 BHAERN COc1ccc2sc(C(C)(C)C)cc(=O)c2c1 ZINC000218807724 345855042 /nfs/dbraw/zinc/85/50/42/345855042.db2.gz QBVQZVPYZSEVQS-UHFFFAOYSA-N 0 0 248.347 3.568 10 0 BHAERN CSc1c(Cl)cc(F)cc1Cl ZINC000218817146 345855202 /nfs/dbraw/zinc/85/52/02/345855202.db2.gz NQINPJXRIWRGOH-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN COc1cccc(C(F)(F)F)c1C(F)(F)F ZINC000218884264 353560060 /nfs/dbraw/zinc/56/00/60/353560060.db2.gz MWMZWWKVJNSABQ-UHFFFAOYSA-N 0 0 244.134 3.733 10 0 BHAERN CCOC(=O)c1ccc2c(Cl)cccc2c1 ZINC000218992902 344250002 /nfs/dbraw/zinc/25/00/02/344250002.db2.gz CAXKVMCBRLMRQL-UHFFFAOYSA-N 0 0 234.682 3.670 10 0 BHAERN FC(F)(F)Oc1cc(Cl)ccc1Cl ZINC000219227038 342821329 /nfs/dbraw/zinc/82/13/29/342821329.db2.gz PTNMLQSNMVBZCO-UHFFFAOYSA-N 0 0 231.000 3.892 10 0 BHAERN C=C/C(C)=C(\Cl)[S@](=O)c1ccc(C)cc1 ZINC000219245621 345858628 /nfs/dbraw/zinc/85/86/28/345858628.db2.gz XNSDIHYNWBYEET-HBIYDYFMSA-N 0 0 240.755 3.759 10 0 BHAERN C=C/C(C)=C(/Cl)[S@](=O)c1ccc(C)cc1 ZINC000219245688 344269426 /nfs/dbraw/zinc/26/94/26/344269426.db2.gz XNSDIHYNWBYEET-KUGGDMIFSA-N 0 0 240.755 3.759 10 0 BHAERN C=C/C(C)=C(\Cl)[S@@](=O)c1ccc(C)cc1 ZINC000219245747 345858606 /nfs/dbraw/zinc/85/86/06/345858606.db2.gz XNSDIHYNWBYEET-PABFRNLHSA-N 0 0 240.755 3.759 10 0 BHAERN C=C/C(C)=C(/Cl)[S@@](=O)c1ccc(C)cc1 ZINC000219245812 345858794 /nfs/dbraw/zinc/85/87/94/345858794.db2.gz XNSDIHYNWBYEET-WQTVUKCASA-N 0 0 240.755 3.759 10 0 BHAERN CC1(C)C[C@H](c2ccc(Cl)cc2)CC1=O ZINC000219248560 344270054 /nfs/dbraw/zinc/27/00/54/344270054.db2.gz ZPVHVRSDZMVQKG-SNVBAGLBSA-N 0 0 222.715 3.813 10 0 BHAERN CC1(C)C[C@@H](c2ccc(Cl)cc2)CC1=O ZINC000219248634 344270071 /nfs/dbraw/zinc/27/00/71/344270071.db2.gz ZPVHVRSDZMVQKG-JTQLQIEISA-N 0 0 222.715 3.813 10 0 BHAERN Cc1cccc2c1-c1c(C)cccc1C(=O)OC2 ZINC000219390268 345858380 /nfs/dbraw/zinc/85/83/80/345858380.db2.gz CKHOHBVJNICMLV-UHFFFAOYSA-N 0 0 238.286 3.641 10 0 BHAERN C=Cc1c(C)c(Cl)cc(C(C)=O)c1OC ZINC000219470001 342872380 /nfs/dbraw/zinc/87/23/80/342872380.db2.gz NYYCXVUCDWIGLV-UHFFFAOYSA-N 0 0 224.687 3.503 10 0 BHAERN CC1(C)c2ccccc2C(C)(C)C1(F)F ZINC000219546777 345859388 /nfs/dbraw/zinc/85/93/88/345859388.db2.gz JLZCMKHXMANELU-UHFFFAOYSA-N 0 0 210.267 3.891 10 0 BHAERN CC1(C)OC2(CCCC2)c2ccccc21 ZINC000219546980 345859329 /nfs/dbraw/zinc/85/93/29/345859329.db2.gz VEMWACHCMYVYDR-UHFFFAOYSA-N 0 0 202.297 3.721 10 0 BHAERN C[C@@H](OCc1cccc(Cl)c1)C(F)(F)F ZINC000219658669 344287683 /nfs/dbraw/zinc/28/76/83/344287683.db2.gz JGSCJMJDSVJQSZ-SSDOTTSWSA-N 0 0 238.636 3.807 10 0 BHAERN CSCCC(=O)c1cccc(Cl)c1C ZINC000219712819 342894093 /nfs/dbraw/zinc/89/40/93/342894093.db2.gz FRKMTASGUFTRSM-UHFFFAOYSA-N 0 0 228.744 3.584 10 0 BHAERN Cc1ccc(C[C@@H](C)C(=O)Cl)c(Cl)c1 ZINC000219746473 344291771 /nfs/dbraw/zinc/29/17/71/344291771.db2.gz JWTRCDAUTIKWKA-MRVPVSSYSA-N 0 0 231.122 3.592 10 0 BHAERN Cc1ccc(C[C@H](C)C(=O)Cl)c(Cl)c1 ZINC000219746539 345859941 /nfs/dbraw/zinc/85/99/41/345859941.db2.gz JWTRCDAUTIKWKA-QMMMGPOBSA-N 0 0 231.122 3.592 10 0 BHAERN C[C@H]1CC=C(c2ccnc(Cl)c2)CC1 ZINC000219907277 345860190 /nfs/dbraw/zinc/86/01/90/345860190.db2.gz CHEHYWMNDZSAQT-VIFPVBQESA-N 0 0 207.704 3.938 10 0 BHAERN C[C@@H]1CC=C(c2ccnc(Cl)c2)CC1 ZINC000219907311 344303654 /nfs/dbraw/zinc/30/36/54/344303654.db2.gz CHEHYWMNDZSAQT-SECBINFHSA-N 0 0 207.704 3.938 10 0 BHAERN CC(C)(C)c1ccc(Br)cc1C#N ZINC000220013919 345860677 /nfs/dbraw/zinc/86/06/77/345860677.db2.gz XSYGPPSENBTYQM-UHFFFAOYSA-N 0 0 238.128 3.618 10 0 BHAERN COCc1ccc([C@@H]2CC2(F)F)c(Cl)c1 ZINC000220014053 350156460 /nfs/dbraw/zinc/15/64/60/350156460.db2.gz DRKAIDBZKTZDBK-VIFPVBQESA-N 0 0 232.657 3.609 10 0 BHAERN COCc1ccc([C@H]2CC2(F)F)c(Cl)c1 ZINC000220014118 345860734 /nfs/dbraw/zinc/86/07/34/345860734.db2.gz DRKAIDBZKTZDBK-SECBINFHSA-N 0 0 232.657 3.609 10 0 BHAERN C[C@@H](c1ccc(Br)cc1)C(F)F ZINC000220038160 350158600 /nfs/dbraw/zinc/15/86/00/350158600.db2.gz DLPLVQQHJFPQDA-LURJTMIESA-N 0 0 235.071 3.818 10 0 BHAERN COc1ccc(-c2cccc(OC)c2F)cc1 ZINC000220055110 592274273 /nfs/dbraw/zinc/27/42/73/592274273.db2.gz FOSGPGBNFOJFJM-UHFFFAOYSA-N 0 0 232.254 3.510 10 0 BHAERN COc1cccc(-c2ccc(OC)cc2F)c1 ZINC000220057417 592274167 /nfs/dbraw/zinc/27/41/67/592274167.db2.gz MARCCDFCAQUBLP-UHFFFAOYSA-N 0 0 232.254 3.510 10 0 BHAERN C/C=C/CNc1ccc(Cl)c(Cl)c1 ZINC000220135582 344050520 /nfs/dbraw/zinc/05/05/20/344050520.db2.gz VFTIVLHHKVIICP-NSCUHMNNSA-N 0 0 216.111 3.981 10 0 BHAERN C/C=C/CNc1ccc(Cl)cc1Cl ZINC000220137355 344050848 /nfs/dbraw/zinc/05/08/48/344050848.db2.gz AGUYITWHDYSNPG-NSCUHMNNSA-N 0 0 216.111 3.981 10 0 BHAERN C/C=C/CNc1cc(Cl)cc(Cl)c1 ZINC000220137546 344050655 /nfs/dbraw/zinc/05/06/55/344050655.db2.gz OEZLIGFDDTYZKB-NSCUHMNNSA-N 0 0 216.111 3.981 10 0 BHAERN C/C=C/CNc1ccc(Br)cc1C ZINC000220143674 344058022 /nfs/dbraw/zinc/05/80/22/344058022.db2.gz XNLWPRXQULEXGZ-ONEGZZNKSA-N 0 0 240.144 3.746 10 0 BHAERN CC(C)C[C@@H](C=O)CO[Si](C)(C)C(C)(C)C ZINC000220160406 344319124 /nfs/dbraw/zinc/31/91/24/344319124.db2.gz LOPLVKCCJBHRBE-LBPRGKRZSA-N 0 0 244.451 3.869 10 0 BHAERN COc1ccc(-c2ccc(C)cc2F)cc1C=O ZINC000220197732 344320137 /nfs/dbraw/zinc/32/01/37/344320137.db2.gz WVRUWBPMPSJMRU-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN COc1c(C)cc(-c2ccc(F)cc2)cc1C=O ZINC000220198848 384260026 /nfs/dbraw/zinc/26/00/26/384260026.db2.gz UWOKSNWESNXFFB-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN COc1cc(C)c(-c2ccc(F)cc2)cc1C=O ZINC000220198941 384691869 /nfs/dbraw/zinc/69/18/69/384691869.db2.gz PHONWOFGUPXHSZ-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN COc1ccc(-c2ccc(F)cc2)c(C)c1C=O ZINC000220199042 350165464 /nfs/dbraw/zinc/16/54/64/350165464.db2.gz MNHWPBGSGBPLST-UHFFFAOYSA-N 0 0 244.265 3.622 10 0 BHAERN CCC[C@@H](CC)CC(=O)c1ccc(O)cc1 ZINC000220268160 345861233 /nfs/dbraw/zinc/86/12/33/345861233.db2.gz BSSQBTGQNZHUDV-LLVKDONJSA-N 0 0 220.312 3.791 10 0 BHAERN CCC[C@H](CC)CC(=O)c1ccc(O)cc1 ZINC000220268238 350168919 /nfs/dbraw/zinc/16/89/19/350168919.db2.gz BSSQBTGQNZHUDV-NSHDSACASA-N 0 0 220.312 3.791 10 0 BHAERN CC[C@@H](C)C(=O)c1cccc(Cl)c1C ZINC000220280969 344135136 /nfs/dbraw/zinc/13/51/36/344135136.db2.gz ADAPDWSWLGHNHY-MRVPVSSYSA-N 0 0 210.704 3.877 10 0 BHAERN CC[C@H](C)C(=O)c1cccc(Cl)c1C ZINC000220281024 344135001 /nfs/dbraw/zinc/13/50/01/344135001.db2.gz ADAPDWSWLGHNHY-QMMMGPOBSA-N 0 0 210.704 3.877 10 0 BHAERN Cc1c(Cl)cccc1C(=O)C1CCC1 ZINC000220296012 344139181 /nfs/dbraw/zinc/13/91/81/344139181.db2.gz KKSONBJYBVQQBO-UHFFFAOYSA-N 0 0 208.688 3.631 10 0 BHAERN O=Cc1ccc(Oc2ccccc2F)cc1F ZINC000220344036 344326284 /nfs/dbraw/zinc/32/62/84/344326284.db2.gz AIZWGRCZDVRWDJ-UHFFFAOYSA-N 0 0 234.201 3.570 10 0 BHAERN C[C@@H]1SCC[C@@H]1Nc1cccc(Cl)c1 ZINC000220441304 344331437 /nfs/dbraw/zinc/33/14/37/344331437.db2.gz WDUGYVSFSBAILG-KWQFWETISA-N 0 0 227.760 3.646 10 0 BHAERN C[C@H]1SCC[C@@H]1Nc1cccc(Cl)c1 ZINC000220441372 344331594 /nfs/dbraw/zinc/33/15/94/344331594.db2.gz WDUGYVSFSBAILG-KCJUWKMLSA-N 0 0 227.760 3.646 10 0 BHAERN C[C@@H]1SCC[C@H]1Nc1cccc(Cl)c1 ZINC000220441446 344331513 /nfs/dbraw/zinc/33/15/13/344331513.db2.gz WDUGYVSFSBAILG-GZMMTYOYSA-N 0 0 227.760 3.646 10 0 BHAERN C[C@H]1SCC[C@H]1Nc1cccc(Cl)c1 ZINC000220441509 344331582 /nfs/dbraw/zinc/33/15/82/344331582.db2.gz WDUGYVSFSBAILG-LDYMZIIASA-N 0 0 227.760 3.646 10 0 BHAERN CC(C)=C[C@@H]([NH3+])c1cccc(Cl)c1C ZINC000220444176 344331506 /nfs/dbraw/zinc/33/15/06/344331506.db2.gz LBIBHOLHAVOASS-GFCCVEGCSA-N 0 0 209.720 3.614 10 0 BHAERN CC(C)=C[C@H]([NH3+])c1cccc(Cl)c1C ZINC000220444239 344331464 /nfs/dbraw/zinc/33/14/64/344331464.db2.gz LBIBHOLHAVOASS-LBPRGKRZSA-N 0 0 209.720 3.614 10 0 BHAERN C[C@@H]1SCC[C@@H]1Nc1ccc(Cl)cc1 ZINC000220444247 344331382 /nfs/dbraw/zinc/33/13/82/344331382.db2.gz RLYSYDJURANQIB-KWQFWETISA-N 0 0 227.760 3.646 10 0 BHAERN C[C@H]1SCC[C@@H]1Nc1ccc(Cl)cc1 ZINC000220444309 344331547 /nfs/dbraw/zinc/33/15/47/344331547.db2.gz RLYSYDJURANQIB-KCJUWKMLSA-N 0 0 227.760 3.646 10 0 BHAERN C[C@@H]1SCC[C@H]1Nc1ccc(Cl)cc1 ZINC000220444379 344331529 /nfs/dbraw/zinc/33/15/29/344331529.db2.gz RLYSYDJURANQIB-GZMMTYOYSA-N 0 0 227.760 3.646 10 0 BHAERN C[C@H]1SCC[C@H]1Nc1ccc(Cl)cc1 ZINC000220444447 344331435 /nfs/dbraw/zinc/33/14/35/344331435.db2.gz RLYSYDJURANQIB-LDYMZIIASA-N 0 0 227.760 3.646 10 0 BHAERN CC(C)(C)c1cc(C=O)c(N)c(C(C)(C)C)c1 ZINC000220445163 344331629 /nfs/dbraw/zinc/33/16/29/344331629.db2.gz OBOCJRZPVBLYJE-UHFFFAOYSA-N 0 0 233.355 3.676 10 0 BHAERN C[C@@H]1SCC[C@@H]1Nc1ccccc1Cl ZINC000220454111 344340241 /nfs/dbraw/zinc/34/02/41/344340241.db2.gz PQJQUXRJYLDILQ-WPRPVWTQSA-N 0 0 227.760 3.646 10 0 BHAERN C[C@H]1SCC[C@@H]1Nc1ccccc1Cl ZINC000220454169 344340055 /nfs/dbraw/zinc/34/00/55/344340055.db2.gz PQJQUXRJYLDILQ-SCZZXKLOSA-N 0 0 227.760 3.646 10 0 BHAERN C[C@@H]1SCC[C@H]1Nc1ccccc1Cl ZINC000220454238 344340309 /nfs/dbraw/zinc/34/03/09/344340309.db2.gz PQJQUXRJYLDILQ-WCBMZHEXSA-N 0 0 227.760 3.646 10 0 BHAERN C[C@H]1SCC[C@H]1Nc1ccccc1Cl ZINC000220454301 344340108 /nfs/dbraw/zinc/34/01/08/344340108.db2.gz PQJQUXRJYLDILQ-PSASIEDQSA-N 0 0 227.760 3.646 10 0 BHAERN FC(F)(F)C/C=C/Cc1ccccc1 ZINC000220500639 345856797 /nfs/dbraw/zinc/85/67/97/345856797.db2.gz QOVYJCFUCFPUNE-SNAWJCMRSA-N 0 0 200.203 3.738 10 0 BHAERN FC(F)(F)Oc1cccc(-c2ccco2)c1 ZINC000220508895 350174585 /nfs/dbraw/zinc/17/45/85/350174585.db2.gz WTPRQMMTWZYXLZ-UHFFFAOYSA-N 0 0 228.169 3.845 10 0 BHAERN Cc1c(Cl)cccc1[C@@H](O)C(C)(C)C ZINC000220555064 350176008 /nfs/dbraw/zinc/17/60/08/350176008.db2.gz PSNQAVLACBWSCV-LLVKDONJSA-N 0 0 212.720 3.728 10 0 BHAERN Cc1c(Cl)cccc1[C@H](O)C(C)(C)C ZINC000220555125 344552783 /nfs/dbraw/zinc/55/27/83/344552783.db2.gz PSNQAVLACBWSCV-NSHDSACASA-N 0 0 212.720 3.728 10 0 BHAERN Nc1cc(Cl)cc(-c2ccccc2)c1 ZINC000220620142 592318829 /nfs/dbraw/zinc/31/88/29/592318829.db2.gz OSBHKVOMPHYEKR-UHFFFAOYSA-N 0 0 203.672 3.589 10 0 BHAERN Brc1ccc2oc3cccnc3c2c1 ZINC000220686099 344353088 /nfs/dbraw/zinc/35/30/88/344353088.db2.gz CFXLXMCOYUXSFI-UHFFFAOYSA-N 0 0 248.079 3.744 10 0 BHAERN O=Cc1ccc(F)c(Oc2ccccc2)c1F ZINC000220704404 410519921 /nfs/dbraw/zinc/51/99/21/410519921.db2.gz LVTAARVHYKIBSQ-UHFFFAOYSA-N 0 0 234.201 3.570 10 0 BHAERN CC(C)c1ccncc1Oc1ccccc1 ZINC000220711112 350183163 /nfs/dbraw/zinc/18/31/63/350183163.db2.gz ZAMUPXHLUGAALJ-UHFFFAOYSA-N 0 0 213.280 3.997 10 0 BHAERN FC(F)[C@@H](F)c1ccccc1Br ZINC000220753769 398343747 /nfs/dbraw/zinc/34/37/47/398343747.db2.gz JSYZXGIMTNOXTF-ZETCQYMHSA-N 0 0 239.034 3.725 10 0 BHAERN FC(F)[C@H](F)c1ccccc1Br ZINC000220753830 398343760 /nfs/dbraw/zinc/34/37/60/398343760.db2.gz JSYZXGIMTNOXTF-SSDOTTSWSA-N 0 0 239.034 3.725 10 0 BHAERN Cc1cnc([C@@H](C)N[C@@H](C)c2ccccc2C)o1 ZINC000220887658 134313397 /nfs/dbraw/zinc/31/33/97/134313397.db2.gz DDASHROJQASRSX-QWHCGFSZSA-N 0 0 244.338 3.703 10 0 BHAERN Cc1cnc([C@H](C)N[C@@H](C)c2ccccc2C)o1 ZINC000220887715 134313390 /nfs/dbraw/zinc/31/33/90/134313390.db2.gz DDASHROJQASRSX-STQMWFEESA-N 0 0 244.338 3.703 10 0 BHAERN Cc1cnc([C@@H](C)N[C@@H](C)c2cccc(F)c2)o1 ZINC000220889529 134313196 /nfs/dbraw/zinc/31/31/96/134313196.db2.gz OKIWOPUCKSUJTO-WDEREUQCSA-N 0 0 248.301 3.534 10 0 BHAERN Cc1cnc([C@H](C)N[C@@H](C)c2cccc(F)c2)o1 ZINC000220889595 134313376 /nfs/dbraw/zinc/31/33/76/134313376.db2.gz OKIWOPUCKSUJTO-QWRGUYRKSA-N 0 0 248.301 3.534 10 0 BHAERN Cc1cnc([C@@H](C)N[C@H](C)c2cccc(F)c2)o1 ZINC000220889654 134313084 /nfs/dbraw/zinc/31/30/84/134313084.db2.gz OKIWOPUCKSUJTO-GHMZBOCLSA-N 0 0 248.301 3.534 10 0 BHAERN Cc1cnc([C@H](C)N[C@H](C)c2cccc(F)c2)o1 ZINC000220889713 134313274 /nfs/dbraw/zinc/31/32/74/134313274.db2.gz OKIWOPUCKSUJTO-MNOVXSKESA-N 0 0 248.301 3.534 10 0 BHAERN Cc1cnc([C@@H](C)[NH2+]CCC2CCCCC2)o1 ZINC000220905179 388608242 /nfs/dbraw/zinc/60/82/42/388608242.db2.gz YRYPMQCGQNOUDC-GFCCVEGCSA-N 0 0 236.359 3.604 10 0 BHAERN Cc1cnc([C@H](C)[NH2+]CCC2CCCCC2)o1 ZINC000220905233 388608175 /nfs/dbraw/zinc/60/81/75/388608175.db2.gz YRYPMQCGQNOUDC-LBPRGKRZSA-N 0 0 236.359 3.604 10 0 BHAERN Cc1ccc(C(F)(F)F)cc1OC(F)F ZINC000221000612 344659197 /nfs/dbraw/zinc/65/91/97/344659197.db2.gz BYYOGNAICXWWAZ-UHFFFAOYSA-N 0 0 226.144 3.615 10 0 BHAERN O=c1cc(Cl)c2ccc3ccccc3c2o1 ZINC000221007698 345862327 /nfs/dbraw/zinc/86/23/27/345862327.db2.gz OLRGVHDVBNCTHI-UHFFFAOYSA-N 0 0 230.650 3.600 10 0 BHAERN C#CCSc1ccnc2cc(Cl)ccc21 ZINC000221084936 345863041 /nfs/dbraw/zinc/86/30/41/345863041.db2.gz MZSQQHCHWAFKDV-UHFFFAOYSA-N 0 0 233.723 3.614 10 0 BHAERN CCOc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000221117795 344679009 /nfs/dbraw/zinc/67/90/09/344679009.db2.gz RIYDYIINTZRVPX-UHFFFAOYSA-N 0 0 240.608 3.637 10 0 BHAERN Cn1nc(-c2ccc(Cl)cc2)c2c1CCCC2 ZINC000221128957 343388916 /nfs/dbraw/zinc/38/89/16/343388916.db2.gz URNVOLRCOCEFGH-UHFFFAOYSA-N 0 0 246.741 3.619 10 0 BHAERN Cc1ccc(C2CC2)cc1C(=O)OC(C)(C)C ZINC000221165437 345863237 /nfs/dbraw/zinc/86/32/37/345863237.db2.gz VFFWKKIAYRBSIC-UHFFFAOYSA-N 0 0 232.323 3.828 10 0 BHAERN Cc1c(F)c(F)c(Cl)c(F)c1Cl ZINC000221254773 348119881 /nfs/dbraw/zinc/11/98/81/348119881.db2.gz BFCLLJQPGQMPJN-UHFFFAOYSA-N 0 0 215.001 3.719 10 0 BHAERN Cn1nc(C2CCCC2)cc1-c1ccccc1 ZINC000221263091 350204190 /nfs/dbraw/zinc/20/41/90/350204190.db2.gz FGCYKXAPTZMLDC-UHFFFAOYSA-N 0 0 226.323 3.745 10 0 BHAERN CC1C[C@](C)(SC(F)(F)F)C=CC1=O ZINC000221264453 368361115 /nfs/dbraw/zinc/36/11/15/368361115.db2.gz WGZJCNSVIFXWAQ-MRVPVSSYSA-N 0 0 224.247 3.790 10 0 BHAERN CC1C[C@@](C)(SC(F)(F)F)C=CC1=O ZINC000221264516 368361240 /nfs/dbraw/zinc/36/12/40/368361240.db2.gz WGZJCNSVIFXWAQ-QMMMGPOBSA-N 0 0 224.247 3.790 10 0 BHAERN CCC[C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000221271348 344715191 /nfs/dbraw/zinc/71/51/91/344715191.db2.gz GXPREZSLTLCPSE-AWEZNQCLSA-N 0 0 234.339 3.912 10 0 BHAERN CCC[C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000221271402 344715505 /nfs/dbraw/zinc/71/55/05/344715505.db2.gz GXPREZSLTLCPSE-CQSZACIVSA-N 0 0 234.339 3.912 10 0 BHAERN Cc1cc(NC(=O)OC(C)(C)C)cc2[nH]ccc21 ZINC000221284674 344718942 /nfs/dbraw/zinc/71/89/42/344718942.db2.gz RVRJCYKVTAFQTR-UHFFFAOYSA-N 0 0 246.310 3.823 10 0 BHAERN CC[Si](CC)(C(F)(F)F)C(F)(F)F ZINC000221356110 343408428 /nfs/dbraw/zinc/40/84/28/343408428.db2.gz HWXOTSWFYUIBHF-UHFFFAOYSA-N 0 0 224.220 3.678 10 0 BHAERN CCC(=O)c1ncc(-c2ccc(F)cc2)s1 ZINC000221371390 345863784 /nfs/dbraw/zinc/86/37/84/345863784.db2.gz ZGDVEOFWRKXHTJ-UHFFFAOYSA-N 0 0 235.283 3.542 10 0 BHAERN FC(F)(F)c1ccc(/C=C/Cl)cc1 ZINC000221466962 350211823 /nfs/dbraw/zinc/21/18/23/350211823.db2.gz JJOYMOHEWZJPAX-AATRIKPKSA-N 0 0 206.594 3.915 10 0 BHAERN Cc1nc2cccc(C(F)(F)F)c2s1 ZINC000221495703 345581630 /nfs/dbraw/zinc/58/16/30/345581630.db2.gz VYGLKDXNDIJEAI-UHFFFAOYSA-N 0 0 217.215 3.624 10 0 BHAERN N#C[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)O1 ZINC000221502596 345863792 /nfs/dbraw/zinc/86/37/92/345863792.db2.gz KKMWXPVVFNTOKJ-KCJUWKMLSA-N 0 0 242.105 3.737 10 0 BHAERN N#C[C@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)O1 ZINC000221502651 345863999 /nfs/dbraw/zinc/86/39/99/345863999.db2.gz KKMWXPVVFNTOKJ-LDYMZIIASA-N 0 0 242.105 3.737 10 0 BHAERN N#C[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)O1 ZINC000221502701 345863775 /nfs/dbraw/zinc/86/37/75/345863775.db2.gz KKMWXPVVFNTOKJ-KWQFWETISA-N 0 0 242.105 3.737 10 0 BHAERN N#C[C@@H]1CC[C@H](c2ccc(Cl)c(Cl)c2)O1 ZINC000221502755 345863951 /nfs/dbraw/zinc/86/39/51/345863951.db2.gz KKMWXPVVFNTOKJ-GZMMTYOYSA-N 0 0 242.105 3.737 10 0 BHAERN CCCCCCOC(=O)c1ccc(N)cc1CC ZINC000221510733 345617931 /nfs/dbraw/zinc/61/79/31/345617931.db2.gz PRBFSBGDRNNVKR-UHFFFAOYSA-N 0 0 249.354 3.568 10 0 BHAERN COC(=O)/C=C/c1ccccc1-c1ccccc1 ZINC000221551528 345763989 /nfs/dbraw/zinc/76/39/89/345763989.db2.gz FPHCHJANYQCPOQ-VAWYXSNFSA-N 0 0 238.286 3.540 10 0 BHAERN O=C(CC[C@@H]1CCCCC1=O)c1ccc(F)cc1 ZINC000221583260 345864133 /nfs/dbraw/zinc/86/41/33/345864133.db2.gz BAOSAMGVVGLZMK-NSHDSACASA-N 0 0 248.297 3.548 10 0 BHAERN O=C(CC[C@H]1CCCCC1=O)c1ccc(F)cc1 ZINC000221583329 345863803 /nfs/dbraw/zinc/86/38/03/345863803.db2.gz BAOSAMGVVGLZMK-LLVKDONJSA-N 0 0 248.297 3.548 10 0 BHAERN O=Cc1nc(-c2ccccc2)cc2ccccc12 ZINC000221587863 345864050 /nfs/dbraw/zinc/86/40/50/345864050.db2.gz VRMJHYUTXUBFDN-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN CCc1ccc2c(c1)C(=O)CC1(CCCC1)O2 ZINC000221596482 345864490 /nfs/dbraw/zinc/86/44/90/345864490.db2.gz DEJNDSBSBUEVCO-UHFFFAOYSA-N 0 0 230.307 3.527 10 0 BHAERN CCn1c2ccc(CO)cc2c2ccc(C)cc21 ZINC000221680724 345864683 /nfs/dbraw/zinc/86/46/83/345864683.db2.gz WQJXDQCSIVOUAM-UHFFFAOYSA-N 0 0 239.318 3.615 10 0 BHAERN CC[C@@H](C)Oc1c(Cl)cc(N)cc1Cl ZINC000221686783 350216541 /nfs/dbraw/zinc/21/65/41/350216541.db2.gz TYGSJZQZLZQIBW-ZCFIWIBFSA-N 0 0 234.126 3.753 10 0 BHAERN CC[C@H](C)Oc1c(Cl)cc(N)cc1Cl ZINC000221686832 346952891 /nfs/dbraw/zinc/95/28/91/346952891.db2.gz TYGSJZQZLZQIBW-LURJTMIESA-N 0 0 234.126 3.753 10 0 BHAERN [N-]=[N+]=NC(=O)C=Cc1ccc(C(F)(F)F)cc1 ZINC000222009019 490462384 /nfs/dbraw/zinc/46/23/84/490462384.db2.gz IFLUZBFDEQVPIS-ZZXKWVIFSA-N 0 0 241.172 3.556 10 0 BHAERN CN1c2ccccc2[C@@H]2C[C@H]2c2ccccc2C1=O ZINC000222054836 640450651 /nfs/dbraw/zinc/45/06/51/640450651.db2.gz APHIBRMJGDVSPB-GJZGRUSLSA-N 0 0 249.313 3.548 10 0 BHAERN CN1c2ccccc2[C@H]2C[C@H]2c2ccccc2C1=O ZINC000222054890 640450564 /nfs/dbraw/zinc/45/05/64/640450564.db2.gz APHIBRMJGDVSPB-LSDHHAIUSA-N 0 0 249.313 3.548 10 0 BHAERN CN1c2ccccc2[C@H]2C[C@@H]2c2ccccc2C1=O ZINC000222054942 640451040 /nfs/dbraw/zinc/45/10/40/640451040.db2.gz APHIBRMJGDVSPB-HUUCEWRRSA-N 0 0 249.313 3.548 10 0 BHAERN COC1=Nc2ccccc2[C@H]2C[C@H]2c2ccccc21 ZINC000222055108 640450077 /nfs/dbraw/zinc/45/00/77/640450077.db2.gz UTUKPJUJTQRSLU-LSDHHAIUSA-N 0 0 249.313 3.996 10 0 BHAERN CC(C)(C)[C@@H]1CC=C([Si](C)(C)C)[C@H](O)C1 ZINC000222062841 640449079 /nfs/dbraw/zinc/44/90/79/640449079.db2.gz SSOZKSWGJTVHNK-GHMZBOCLSA-N 0 0 226.436 3.607 10 0 BHAERN CC(C)(C)[C@H]1CC=C([Si](C)(C)C)[C@H](O)C1 ZINC000222062901 640451169 /nfs/dbraw/zinc/45/11/69/640451169.db2.gz SSOZKSWGJTVHNK-WDEREUQCSA-N 0 0 226.436 3.607 10 0 BHAERN CC(C)(C)[C@@H]1CC[C@@H]([Si](C)(C)C)[C@@H](O)C1 ZINC000222062955 640449271 /nfs/dbraw/zinc/44/92/71/640449271.db2.gz UNPIWWPINOKEAY-GRYCIOLGSA-N 0 0 228.452 3.902 10 0 BHAERN CC(C)(C)[C@@H]1CC[C@H]([Si](C)(C)C)[C@@H](O)C1 ZINC000222063031 640449695 /nfs/dbraw/zinc/44/96/95/640449695.db2.gz UNPIWWPINOKEAY-WOPDTQHZSA-N 0 0 228.452 3.902 10 0 BHAERN Clc1cc2c(cn1)ncn2C1CCCCC1 ZINC000222100887 368363455 /nfs/dbraw/zinc/36/34/55/368363455.db2.gz PIDHOPJEJMYJPS-UHFFFAOYSA-N 0 0 235.718 3.590 10 0 BHAERN Cc1c(CO)ccc(Cl)c1Oc1ccccc1 ZINC000222355784 348213567 /nfs/dbraw/zinc/21/35/67/348213567.db2.gz RYAKIUCNOSARNQ-UHFFFAOYSA-N 0 0 248.709 3.933 10 0 BHAERN Clc1nc2cc[nH]c(Cl)c-2c1Cl ZINC000222899676 180574124 /nfs/dbraw/zinc/57/41/24/180574124.db2.gz DZJNNDIVDVGFKQ-UHFFFAOYSA-N 0 0 221.474 3.523 10 0 BHAERN Cc1c(F)ccc(Cl)c1Br ZINC000222909520 344277676 /nfs/dbraw/zinc/27/76/76/344277676.db2.gz JERGNIRVTJQHSL-UHFFFAOYSA-N 0 0 223.472 3.550 10 0 BHAERN Oc1cccc(-c2cc3nccc(Cl)c3o2)c1 ZINC000222923828 350255987 /nfs/dbraw/zinc/25/59/87/350255987.db2.gz QPVLGXCOUFJLFZ-UHFFFAOYSA-N 0 0 245.665 3.854 10 0 BHAERN Clc1ncc(-c2ccccc2)c2ncccc12 ZINC000222926717 350255610 /nfs/dbraw/zinc/25/56/10/350255610.db2.gz YGXPELOLBGVPOK-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN CSc1ccc(-c2cc3cccnc3[nH]2)cc1 ZINC000222929651 348228402 /nfs/dbraw/zinc/22/84/02/348228402.db2.gz POQVRGUHLKFLAL-UHFFFAOYSA-N 0 0 240.331 3.952 10 0 BHAERN Clc1cc(-c2cc3ccccc3[nH]2)ccn1 ZINC000222932530 348229244 /nfs/dbraw/zinc/22/92/44/348229244.db2.gz JNVRDGBUNANWFZ-UHFFFAOYSA-N 0 0 228.682 3.883 10 0 BHAERN Cc1c(Br)nc2ccccc2c1C ZINC000222966500 177556556 /nfs/dbraw/zinc/55/65/56/177556556.db2.gz NLCDTSPGAZCWMZ-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Cc1ccncc1-c1ccnc2ccsc21 ZINC000223118527 353137787 /nfs/dbraw/zinc/13/77/87/353137787.db2.gz HKKFIAKEJUVHFT-UHFFFAOYSA-N 0 0 226.304 3.667 10 0 BHAERN c1cnc2c(c1)cncc2NC1CCCCCC1 ZINC000223130216 640535566 /nfs/dbraw/zinc/53/55/66/640535566.db2.gz FTPWSLMXVINQEB-UHFFFAOYSA-N 0 0 241.338 3.765 10 0 BHAERN CCOc1ccc(C(F)(F)F)cc1OCC ZINC000223147173 398274551 /nfs/dbraw/zinc/27/45/51/398274551.db2.gz OTGJFNFQZJDVSU-UHFFFAOYSA-N 0 0 234.217 3.503 10 0 BHAERN Cc1cccc(C)c1/C=C/C(=O)OC(C)(C)C ZINC000223149883 592518122 /nfs/dbraw/zinc/51/81/22/592518122.db2.gz KPTJNWNXXSXJSV-MDZDMXLPSA-N 0 0 232.323 3.658 10 0 BHAERN CC(=O)CCSc1ccc(C(F)(F)F)cc1 ZINC000223240840 388584584 /nfs/dbraw/zinc/58/45/84/388584584.db2.gz KNHJZPUHXQCNHJ-UHFFFAOYSA-N 0 0 248.269 3.777 10 0 BHAERN CCOC(=O)/C=C(/C)c1ccc(C(C)(C)C)cc1 ZINC000223325089 582806522 /nfs/dbraw/zinc/80/65/22/582806522.db2.gz LUMYNWRZIHEQHY-QXMHVHEDSA-N 0 0 246.350 3.951 10 0 BHAERN CC(C)c1cc(C(F)(F)F)c(C#N)c(Cl)n1 ZINC000223381718 368365081 /nfs/dbraw/zinc/36/50/81/368365081.db2.gz QJMSOXKNIKMZBZ-UHFFFAOYSA-N 0 0 248.635 3.749 10 0 BHAERN CC(=O)Nc1cc(C)ccc1-c1ccccc1 ZINC000223498727 487962502 /nfs/dbraw/zinc/96/25/02/487962502.db2.gz IVQLNCYJEAMELM-UHFFFAOYSA-N 0 0 225.291 3.620 10 0 BHAERN Cc1ccccc1[C@H](C)NCC(F)(F)C(F)F ZINC000223596621 631731017 /nfs/dbraw/zinc/73/10/17/631731017.db2.gz BSVWKQKOBMEIOT-VIFPVBQESA-N 0 0 249.251 3.546 10 0 BHAERN Clc1cc2cc(C3CC3)ccc2cn1 ZINC000223649840 358229803 /nfs/dbraw/zinc/22/98/03/358229803.db2.gz ALSRYVZOVKRDCT-UHFFFAOYSA-N 0 0 203.672 3.766 10 0 BHAERN CNc1ccc2[nH]c(Cc3ccccc3)cc2c1 ZINC000223688339 368364530 /nfs/dbraw/zinc/36/45/30/368364530.db2.gz DOKOQNSAUKTQDD-UHFFFAOYSA-N 0 0 236.318 3.800 10 0 BHAERN Oc1cc2ccccc2c(C(F)(F)F)c1 ZINC000223850321 183256233 /nfs/dbraw/zinc/25/62/33/183256233.db2.gz DSCWJTRTFJQIRI-UHFFFAOYSA-N 0 0 212.170 3.564 10 0 BHAERN CCOC(=O)c1cc(Cl)c2ccccc2c1 ZINC000223851921 357127441 /nfs/dbraw/zinc/12/74/41/357127441.db2.gz RGWNLKMVWYRJFD-UHFFFAOYSA-N 0 0 234.682 3.670 10 0 BHAERN CCOC(=O)c1cc2ccccc2cc1Cl ZINC000223853952 357127405 /nfs/dbraw/zinc/12/74/05/357127405.db2.gz GACQYNJVTVKCIB-UHFFFAOYSA-N 0 0 234.682 3.670 10 0 BHAERN CCOC(=O)c1c(C)cc(SC)cc1Cl ZINC000223855235 357127069 /nfs/dbraw/zinc/12/70/69/357127069.db2.gz QESXYEQPJNPJBU-UHFFFAOYSA-N 0 0 244.743 3.547 10 0 BHAERN Brc1ccc(-c2ccoc2)cc1 ZINC000223868683 357131379 /nfs/dbraw/zinc/13/13/79/357131379.db2.gz SDKJDQLEFMMXET-UHFFFAOYSA-N 0 0 223.069 3.709 10 0 BHAERN CCc1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000223906903 344595606 /nfs/dbraw/zinc/59/56/06/344595606.db2.gz CHXXBBFVMVSXCQ-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN Cc1ccc([C@@H]2CCCCCC2=O)cc1F ZINC000223974775 592547807 /nfs/dbraw/zinc/54/78/07/592547807.db2.gz NFDBRXWBAOYMJQ-LBPRGKRZSA-N 0 0 220.287 3.751 10 0 BHAERN Cc1ccc([C@H]2CCCCCC2=O)cc1F ZINC000223974833 592547642 /nfs/dbraw/zinc/54/76/42/592547642.db2.gz NFDBRXWBAOYMJQ-GFCCVEGCSA-N 0 0 220.287 3.751 10 0 BHAERN CCCCCOc1ccc(OCC)c(F)c1F ZINC000224058671 368366722 /nfs/dbraw/zinc/36/67/22/368366722.db2.gz UGEWMXAUHMTUAV-UHFFFAOYSA-N 0 0 244.281 3.933 10 0 BHAERN CCC(C)(C)C(=O)c1ccc(C)c(F)c1 ZINC000224066617 344757703 /nfs/dbraw/zinc/75/77/03/344757703.db2.gz VBHPYXPJMVADAT-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN Clc1ccc(Br)c(NC2CC2)c1 ZINC000224068652 344758558 /nfs/dbraw/zinc/75/85/58/344758558.db2.gz NHKJZMPZANETPR-UHFFFAOYSA-N 0 0 246.535 3.677 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(C)c(F)c1 ZINC000224076743 344758836 /nfs/dbraw/zinc/75/88/36/344758836.db2.gz DPUWSYARCNUPEQ-SNVBAGLBSA-N 0 0 208.276 3.753 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(C)c(F)c1 ZINC000224076797 358427770 /nfs/dbraw/zinc/42/77/70/358427770.db2.gz DPUWSYARCNUPEQ-JTQLQIEISA-N 0 0 208.276 3.753 10 0 BHAERN C/C=C/Cc1ccc2sccc2c1O ZINC000224149072 368366398 /nfs/dbraw/zinc/36/63/98/368366398.db2.gz RANOXJCDOPLUNQ-NSCUHMNNSA-N 0 0 204.294 3.726 10 0 BHAERN Cc1cc(C)c(O)c(-c2cccs2)c1 ZINC000224210470 368366831 /nfs/dbraw/zinc/36/68/31/368366831.db2.gz NPMXVTFGVUVGNP-UHFFFAOYSA-N 0 0 204.294 3.738 10 0 BHAERN CSCc1cc(Cl)nc(C(F)(F)F)c1 ZINC000224329401 368365933 /nfs/dbraw/zinc/36/59/33/368365933.db2.gz QQHHMYRJWZVJQU-UHFFFAOYSA-N 0 0 241.665 3.617 10 0 BHAERN CC(C)(C)OC(=O)Nc1ccc(NC2CC2)cc1 ZINC000224530738 344937541 /nfs/dbraw/zinc/93/75/41/344937541.db2.gz BTFZAQLDVQIPPG-UHFFFAOYSA-N 0 0 248.326 3.608 10 0 BHAERN Cc1cc(C(F)(F)F)nc2ccc(F)cc12 ZINC000224657281 538596363 /nfs/dbraw/zinc/59/63/63/538596363.db2.gz LEAPQZXZHYJOIK-UHFFFAOYSA-N 0 0 229.176 3.701 10 0 BHAERN CCc1ccccc1C(=O)CC(C)(C)C ZINC000224683333 363125392 /nfs/dbraw/zinc/12/53/92/363125392.db2.gz JMIOLFZWKBIKPU-UHFFFAOYSA-N 0 0 204.313 3.868 10 0 BHAERN Cc1ccccc1-c1ccnc(Cl)c1C=O ZINC000224759074 350339428 /nfs/dbraw/zinc/33/94/28/350339428.db2.gz AMEOUAPJMORXRJ-UHFFFAOYSA-N 0 0 231.682 3.523 10 0 BHAERN Nc1ccccc1/C=N/c1cccc(Cl)c1 ZINC000224858654 348265176 /nfs/dbraw/zinc/26/51/76/348265176.db2.gz BAAIAUWUPCNTKV-CXUHLZMHSA-N 0 0 230.698 3.673 10 0 BHAERN C[C@H](c1ccccc1)n1ccsc1=S ZINC000224895416 368367866 /nfs/dbraw/zinc/36/78/66/368367866.db2.gz JZNUEOYOSOEVNR-SECBINFHSA-N 0 0 221.350 3.888 10 0 BHAERN C[C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)O1 ZINC000224898448 368367828 /nfs/dbraw/zinc/36/78/28/368367828.db2.gz IEORNHMAYROASQ-LDYMZIIASA-N 0 0 230.229 3.945 10 0 BHAERN C[C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)O1 ZINC000224898492 368367538 /nfs/dbraw/zinc/36/75/38/368367538.db2.gz IEORNHMAYROASQ-GZMMTYOYSA-N 0 0 230.229 3.945 10 0 BHAERN C[C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)O1 ZINC000224898522 350345582 /nfs/dbraw/zinc/34/55/82/350345582.db2.gz IEORNHMAYROASQ-KCJUWKMLSA-N 0 0 230.229 3.945 10 0 BHAERN C[C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)O1 ZINC000224898565 368367965 /nfs/dbraw/zinc/36/79/65/368367965.db2.gz IEORNHMAYROASQ-KWQFWETISA-N 0 0 230.229 3.945 10 0 BHAERN S=C=Nc1ccc(-c2cccnn2)c(Cl)c1 ZINC000225085545 358245190 /nfs/dbraw/zinc/24/51/90/358245190.db2.gz AZUUFCPXPXCHNL-UHFFFAOYSA-N 0 0 247.710 3.531 10 0 BHAERN CCOC1=NC[C@H](c2ccc(Cl)cc2)CC1 ZINC000225111840 368368062 /nfs/dbraw/zinc/36/80/62/368368062.db2.gz TZSFHTVJNDRNCU-LLVKDONJSA-N 0 0 237.730 3.652 10 0 BHAERN CCOC1=NC[C@@H](c2ccc(Cl)cc2)CC1 ZINC000225111884 368367634 /nfs/dbraw/zinc/36/76/34/368367634.db2.gz TZSFHTVJNDRNCU-NSHDSACASA-N 0 0 237.730 3.652 10 0 BHAERN CCOC1=NC[C@H](c2cccc(Cl)c2)CC1 ZINC000225116447 368368095 /nfs/dbraw/zinc/36/80/95/368368095.db2.gz VHCTYJTXTZMMSM-LLVKDONJSA-N 0 0 237.730 3.652 10 0 BHAERN CCOC1=NC[C@@H](c2cccc(Cl)c2)CC1 ZINC000225116481 368367814 /nfs/dbraw/zinc/36/78/14/368367814.db2.gz VHCTYJTXTZMMSM-NSHDSACASA-N 0 0 237.730 3.652 10 0 BHAERN FC(F)(F)c1cc(-n2cccn2)ccc1Cl ZINC000225140045 348267513 /nfs/dbraw/zinc/26/75/13/348267513.db2.gz RSPJOHZSHVQFGC-UHFFFAOYSA-N 0 0 246.619 3.545 10 0 BHAERN CCc1cc(F)c(Br)cc1CC ZINC000225407736 370550819 /nfs/dbraw/zinc/55/08/19/370550819.db2.gz MLGYQLLXRIHJJM-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN CCOC(=N)Cc1ccc2cc(C)ccc2c1 ZINC000225717283 368368048 /nfs/dbraw/zinc/36/80/48/368368048.db2.gz GFOSCPCHXCINRY-UHFFFAOYSA-N 0 0 227.307 3.704 10 0 BHAERN Fc1cc(-c2cccnc2)ccc1Cl ZINC000225744845 538602290 /nfs/dbraw/zinc/60/22/90/538602290.db2.gz VXFIZPDCMLLHCT-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN CC(C)Nc1cc(C(F)(F)F)cc(Cl)n1 ZINC000225793806 371578453 /nfs/dbraw/zinc/57/84/53/371578453.db2.gz VXPFHTKVTWZIOQ-UHFFFAOYSA-N 0 0 238.640 3.574 10 0 BHAERN CC(C)Oc1cc(C=O)cc(C(C)(C)C)c1 ZINC000225951685 363210230 /nfs/dbraw/zinc/21/02/30/363210230.db2.gz QLUSGPVDWUPDDU-UHFFFAOYSA-N 0 0 220.312 3.584 10 0 BHAERN c1nc([C@@H]2CCC3=C(CCCC3)C2)c[nH]1 ZINC000225953234 385634398 /nfs/dbraw/zinc/63/43/98/385634398.db2.gz RENZYFGLZBOESU-GFCCVEGCSA-N 0 0 202.301 3.548 10 0 BHAERN c1nc([C@H]2CCC3=C(CCCC3)C2)c[nH]1 ZINC000225953245 385634798 /nfs/dbraw/zinc/63/47/98/385634798.db2.gz RENZYFGLZBOESU-LBPRGKRZSA-N 0 0 202.301 3.548 10 0 BHAERN Cc1cc(C)c(/C=C/Br)c(C)c1 ZINC000225960641 538605247 /nfs/dbraw/zinc/60/52/47/538605247.db2.gz BNGCWWZAJNJNJY-SNAWJCMRSA-N 0 0 225.129 3.977 10 0 BHAERN Fc1cc(C(F)F)c(F)cc1Br ZINC000225967988 358737572 /nfs/dbraw/zinc/73/75/72/358737572.db2.gz XTGNEVHXMFTHIC-UHFFFAOYSA-N 0 0 242.997 3.665 10 0 BHAERN c1c2ccccc2[nH]c1NCc1ccccc1 ZINC000226049884 631934426 /nfs/dbraw/zinc/93/44/26/631934426.db2.gz VJBLRNKCEXMKKP-UHFFFAOYSA-N 0 0 222.291 3.780 10 0 BHAERN CC(C)(C)C(=O)Cc1ccc(F)c(Cl)c1 ZINC000226139121 371611315 /nfs/dbraw/zinc/61/13/15/371611315.db2.gz XYEPIECPZHDZSN-UHFFFAOYSA-N 0 0 228.694 3.637 10 0 BHAERN Cc1ccc(C(=O)CC(C)(C)C)cc1F ZINC000226139567 358502093 /nfs/dbraw/zinc/50/20/93/358502093.db2.gz LRYHCIIZUGZYPL-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN Cc1nnc(N[C@@H](C)c2ccc(C)cc2C)s1 ZINC000226142239 134359493 /nfs/dbraw/zinc/35/94/93/134359493.db2.gz HBMBXSNABPJBMJ-JTQLQIEISA-N 0 0 247.367 3.636 10 0 BHAERN Cc1nnc(N[C@H](C)c2ccc(C)cc2C)s1 ZINC000226142244 134359500 /nfs/dbraw/zinc/35/95/00/134359500.db2.gz HBMBXSNABPJBMJ-SNVBAGLBSA-N 0 0 247.367 3.636 10 0 BHAERN Cc1nnc(N[C@@H](C)c2ccc(C)c(C)c2)s1 ZINC000226143254 134359588 /nfs/dbraw/zinc/35/95/88/134359588.db2.gz HRCWCHRCVAMVTQ-JTQLQIEISA-N 0 0 247.367 3.636 10 0 BHAERN Cc1nnc(N[C@H](C)c2ccc(C)c(C)c2)s1 ZINC000226143264 134359428 /nfs/dbraw/zinc/35/94/28/134359428.db2.gz HRCWCHRCVAMVTQ-SNVBAGLBSA-N 0 0 247.367 3.636 10 0 BHAERN Cc1cc(-n2cccc2)ccc1-n1cccc1 ZINC000226245072 177696677 /nfs/dbraw/zinc/69/66/77/177696677.db2.gz PLGHVQYSLCMUBA-UHFFFAOYSA-N 0 0 222.291 3.576 10 0 BHAERN Cc1ccc(-n2cccc2)cc1-n1cccc1 ZINC000226245084 178347640 /nfs/dbraw/zinc/34/76/40/178347640.db2.gz LOIXTZJQZZQRJR-UHFFFAOYSA-N 0 0 222.291 3.576 10 0 BHAERN Clc1ccc(-n2cccc2)cc1-n1cccc1 ZINC000226245097 387270837 /nfs/dbraw/zinc/27/08/37/387270837.db2.gz VIYNAJGTOSLSCL-UHFFFAOYSA-N 0 0 242.709 3.921 10 0 BHAERN C[C@@H]1CCCCN1c1ccc(-n2cccc2)cc1 ZINC000226245410 132291361 /nfs/dbraw/zinc/29/13/61/132291361.db2.gz BPWCGRLYIWWINU-CQSZACIVSA-N 0 0 240.350 3.856 10 0 BHAERN C[C@H]1CCCCN1c1ccc(-n2cccc2)cc1 ZINC000226245418 132291509 /nfs/dbraw/zinc/29/15/09/132291509.db2.gz BPWCGRLYIWWINU-AWEZNQCLSA-N 0 0 240.350 3.856 10 0 BHAERN CC1CCN(c2ccccc2-n2cccc2)CC1 ZINC000226245436 132291449 /nfs/dbraw/zinc/29/14/49/132291449.db2.gz DZNWAEKGBVTIHT-UHFFFAOYSA-N 0 0 240.350 3.714 10 0 BHAERN CC1CCN(c2ccc(-n3cccc3)cc2)CC1 ZINC000226245533 132291524 /nfs/dbraw/zinc/29/15/24/132291524.db2.gz RQHKQHLSXVASPQ-UHFFFAOYSA-N 0 0 240.350 3.714 10 0 BHAERN Clc1cccc(-n2cccc2)c1N1CCCC1 ZINC000226245937 388712828 /nfs/dbraw/zinc/71/28/28/388712828.db2.gz ZEVLEYOUYJUAIV-UHFFFAOYSA-N 0 0 246.741 3.731 10 0 BHAERN Fc1cc(-n2cccc2)ccc1N1CCCCC1 ZINC000226246072 132291642 /nfs/dbraw/zinc/29/16/42/132291642.db2.gz OYRIYXHARHKTBV-UHFFFAOYSA-N 0 0 244.313 3.607 10 0 BHAERN CCCc1nc2cc(-n3cccc3)cc(C)c2o1 ZINC000226247876 387272235 /nfs/dbraw/zinc/27/22/35/387272235.db2.gz QUNAVNALPLHJSR-UHFFFAOYSA-N 0 0 240.306 3.879 10 0 BHAERN CC(C)(C)c1nc2cc(-n3cccc3)ccc2o1 ZINC000226247912 188081047 /nfs/dbraw/zinc/08/10/47/188081047.db2.gz CWAVTFBZQMCKCK-UHFFFAOYSA-N 0 0 240.306 3.916 10 0 BHAERN CC(C)c1nc2cc(-n3cccc3)ccc2o1 ZINC000226247926 387272278 /nfs/dbraw/zinc/27/22/78/387272278.db2.gz IETYBLFZEMPATA-UHFFFAOYSA-N 0 0 226.279 3.742 10 0 BHAERN CCCc1nc2cc(-n3cccc3)ccc2o1 ZINC000226247946 398210343 /nfs/dbraw/zinc/21/03/43/398210343.db2.gz XAXURPJUOOFBSV-UHFFFAOYSA-N 0 0 226.279 3.571 10 0 BHAERN C[C@@H]1CCCc2nc3cccc(Cl)c3n21 ZINC000226251589 176153355 /nfs/dbraw/zinc/15/33/55/176153355.db2.gz APGFKGOARGDLGT-MRVPVSSYSA-N 0 0 220.703 3.587 10 0 BHAERN C[C@H]1CCCc2nc3cccc(Cl)c3n21 ZINC000226251595 177145339 /nfs/dbraw/zinc/14/53/39/177145339.db2.gz APGFKGOARGDLGT-QMMMGPOBSA-N 0 0 220.703 3.587 10 0 BHAERN C[C@@H]1CCCc2nc3cc(Cl)ccc3n21 ZINC000226251657 176153838 /nfs/dbraw/zinc/15/38/38/176153838.db2.gz OIGIRJXKSIUYKY-MRVPVSSYSA-N 0 0 220.703 3.587 10 0 BHAERN C[C@H]1CCCc2nc3cc(Cl)ccc3n21 ZINC000226251666 177144988 /nfs/dbraw/zinc/14/49/88/177144988.db2.gz OIGIRJXKSIUYKY-QMMMGPOBSA-N 0 0 220.703 3.587 10 0 BHAERN CNc1ccc2nc(-c3cccc(C)c3)oc2c1 ZINC000226269951 173481491 /nfs/dbraw/zinc/48/14/91/173481491.db2.gz LMIMIBZOGBVTKX-UHFFFAOYSA-N 0 0 238.290 3.845 10 0 BHAERN CNc1ccc2nc(-c3ccccc3)oc2c1 ZINC000226269964 388713745 /nfs/dbraw/zinc/71/37/45/388713745.db2.gz UCGNRFRTRWOKPJ-UHFFFAOYSA-N 0 0 224.263 3.537 10 0 BHAERN CNc1ccc2nc(-c3ccccc3C)oc2c1 ZINC000226269976 388713440 /nfs/dbraw/zinc/71/34/40/388713440.db2.gz KRSGOWJTWRTAMK-UHFFFAOYSA-N 0 0 238.290 3.845 10 0 BHAERN CNc1ccc2nc(-c3ccc(C)cc3)oc2c1 ZINC000226269985 173481305 /nfs/dbraw/zinc/48/13/05/173481305.db2.gz PRHDZLCSOCSNSV-UHFFFAOYSA-N 0 0 238.290 3.845 10 0 BHAERN CNc1cc2nc(-c3ccccc3)oc2c(C)c1 ZINC000226270057 388713824 /nfs/dbraw/zinc/71/38/24/388713824.db2.gz AYRPAMOZBGOTFJ-UHFFFAOYSA-N 0 0 238.290 3.845 10 0 BHAERN CNc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000226270075 173481275 /nfs/dbraw/zinc/48/12/75/173481275.db2.gz FWCCIPHQTGPLMH-UHFFFAOYSA-N 0 0 238.290 3.845 10 0 BHAERN CNc1ccc2oc(-c3cccc(C)c3)nc2c1 ZINC000226270084 387326796 /nfs/dbraw/zinc/32/67/96/387326796.db2.gz OMCRLNZUAAKAFM-UHFFFAOYSA-N 0 0 238.290 3.845 10 0 BHAERN CNc1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000226270112 173481448 /nfs/dbraw/zinc/48/14/48/173481448.db2.gz IMDFQEBRVDDRSS-UHFFFAOYSA-N 0 0 238.290 3.845 10 0 BHAERN CNc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000226270203 387331007 /nfs/dbraw/zinc/33/10/07/387331007.db2.gz OMOAUYINLYEPCK-UHFFFAOYSA-N 0 0 242.253 3.676 10 0 BHAERN CNc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000226270234 387331809 /nfs/dbraw/zinc/33/18/09/387331809.db2.gz OBYZJMQDUMDRTO-UHFFFAOYSA-N 0 0 242.253 3.676 10 0 BHAERN CNc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000226270279 388713879 /nfs/dbraw/zinc/71/38/79/388713879.db2.gz KTURDZIBHQARGT-UHFFFAOYSA-N 0 0 242.253 3.676 10 0 BHAERN CNc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000226270779 388714117 /nfs/dbraw/zinc/71/41/17/388714117.db2.gz NNNYGRQBMJUHMM-UHFFFAOYSA-N 0 0 242.253 3.676 10 0 BHAERN CNc1ccc2nc(-c3cccc(F)c3)oc2c1 ZINC000226270790 388713722 /nfs/dbraw/zinc/71/37/22/388713722.db2.gz SGBWBZFMTLJUIZ-UHFFFAOYSA-N 0 0 242.253 3.676 10 0 BHAERN CNc1ccc2nc(-c3ccccc3F)oc2c1 ZINC000226270850 387334556 /nfs/dbraw/zinc/33/45/56/387334556.db2.gz BEZVEBLIPPUCRB-UHFFFAOYSA-N 0 0 242.253 3.676 10 0 BHAERN c1ccn(-c2ccc3c4c(cccc42)CC3)c1 ZINC000226275286 183373158 /nfs/dbraw/zinc/37/31/58/183373158.db2.gz XSUJZFNCAWWYJC-UHFFFAOYSA-N 0 0 219.287 3.729 10 0 BHAERN CNc1ccc(N2CCCC[C@@H]2C)c(Cl)c1 ZINC000226275565 132291269 /nfs/dbraw/zinc/29/12/69/132291269.db2.gz XIAFLGZTSGGEFH-JTQLQIEISA-N 0 0 238.762 3.761 10 0 BHAERN CNc1ccc(N2CCCC[C@H]2C)c(Cl)c1 ZINC000226275573 132291562 /nfs/dbraw/zinc/29/15/62/132291562.db2.gz XIAFLGZTSGGEFH-SNVBAGLBSA-N 0 0 238.762 3.761 10 0 BHAERN CNc1ccc(N2CCC(C)CC2)c(Cl)c1 ZINC000226275589 132291645 /nfs/dbraw/zinc/29/16/45/132291645.db2.gz LBTFWOQKOYERAU-UHFFFAOYSA-N 0 0 238.762 3.618 10 0 BHAERN Cc1cc(-n2cccc2)ccc1N1CCCCC1 ZINC000226275909 132291432 /nfs/dbraw/zinc/29/14/32/132291432.db2.gz DEEAIDRSCKHAKJ-UHFFFAOYSA-N 0 0 240.350 3.776 10 0 BHAERN Clc1cc(-n2cccc2)ccc1N1CCCC1 ZINC000226276121 180574771 /nfs/dbraw/zinc/57/47/71/180574771.db2.gz ANUNVNOIOCJNMS-UHFFFAOYSA-N 0 0 246.741 3.731 10 0 BHAERN CNc1cccc(-c2nc3cc(C)ccc3o2)c1 ZINC000226280995 387341657 /nfs/dbraw/zinc/34/16/57/387341657.db2.gz AQIVMUPKCQEUNQ-UHFFFAOYSA-N 0 0 238.290 3.845 10 0 BHAERN Cc1ccc(-c2nc3cnccc3o2)cc1C ZINC000226281367 178338071 /nfs/dbraw/zinc/33/80/71/178338071.db2.gz IGQAWSFMKQLOND-UHFFFAOYSA-N 0 0 224.263 3.507 10 0 BHAERN Clc1cccc(-c2nc3cnccc3o2)c1 ZINC000226281424 388713590 /nfs/dbraw/zinc/71/35/90/388713590.db2.gz DBPPTYHRSHSKFZ-UHFFFAOYSA-N 0 0 230.654 3.543 10 0 BHAERN Cc1ccc(-c2nc3cnccc3o2)cc1Cl ZINC000226281500 178338413 /nfs/dbraw/zinc/33/84/13/178338413.db2.gz PMYKRGPMHDGECP-UHFFFAOYSA-N 0 0 244.681 3.852 10 0 BHAERN CCNc1ccc2oc(-c3ccccc3)nc2c1 ZINC000226282300 170174853 /nfs/dbraw/zinc/17/48/53/170174853.db2.gz MOZHGJRBPGILMM-UHFFFAOYSA-N 0 0 238.290 3.927 10 0 BHAERN CCNc1cccc(-c2nc3ccccc3o2)c1 ZINC000226284408 170174821 /nfs/dbraw/zinc/17/48/21/170174821.db2.gz OVWAPLKAZLQVJT-UHFFFAOYSA-N 0 0 238.290 3.927 10 0 BHAERN CCNc1ccc(N2CCCCC2)c(Cl)c1 ZINC000226285008 387343288 /nfs/dbraw/zinc/34/32/88/387343288.db2.gz VLOJIDSXYURHPX-UHFFFAOYSA-N 0 0 238.762 3.762 10 0 BHAERN CCNc1ccc(N2CCCC[C@@H]2C)c(C)c1 ZINC000226285098 535525170 /nfs/dbraw/zinc/52/51/70/535525170.db2.gz XXUFTFQEDWSQIK-ZDUSSCGKSA-N 0 0 232.371 3.806 10 0 BHAERN CCNc1ccc(N2CCCC[C@H]2C)c(C)c1 ZINC000226285107 535525670 /nfs/dbraw/zinc/52/56/70/535525670.db2.gz XXUFTFQEDWSQIK-CYBMUJFWSA-N 0 0 232.371 3.806 10 0 BHAERN CCNc1ccc(N2CCC(C)CC2)c(C)c1 ZINC000226285129 535525572 /nfs/dbraw/zinc/52/55/72/535525572.db2.gz OOGZPWHIERHELY-UHFFFAOYSA-N 0 0 232.371 3.663 10 0 BHAERN CCCC(=O)Nc1ccc(NCC)cc1Cl ZINC000226285971 388713943 /nfs/dbraw/zinc/71/39/43/388713943.db2.gz IJPSIUYADDTUMM-UHFFFAOYSA-N 0 0 240.734 3.510 10 0 BHAERN CCc1ccc2oc(-c3ccc(O)cc3)nc2c1 ZINC000226290981 387352043 /nfs/dbraw/zinc/35/20/43/387352043.db2.gz VAPNZPKKSCYWCI-UHFFFAOYSA-N 0 0 239.274 3.763 10 0 BHAERN Cc1cc2nc(-c3ccc(O)cc3)oc2cc1C ZINC000226290991 178300372 /nfs/dbraw/zinc/30/03/72/178300372.db2.gz CPYKNYRJSADNFR-UHFFFAOYSA-N 0 0 239.274 3.817 10 0 BHAERN Cc1cc2nc(-c3ccc(O)cc3)oc2c(C)c1 ZINC000226291002 388715245 /nfs/dbraw/zinc/71/52/45/388715245.db2.gz HACAFQUDUKNKGP-UHFFFAOYSA-N 0 0 239.274 3.817 10 0 BHAERN CCc1ccc2oc(-c3cccc(O)c3)nc2c1 ZINC000226291118 387351849 /nfs/dbraw/zinc/35/18/49/387351849.db2.gz UBEUGSHJTVATNV-UHFFFAOYSA-N 0 0 239.274 3.763 10 0 BHAERN C[C@@H](O)c1ccc2c(c1)oc1ccccc12 ZINC000226294165 388714803 /nfs/dbraw/zinc/71/48/03/388714803.db2.gz WZNUWAJOOGPXBF-SECBINFHSA-N 0 0 212.248 3.639 10 0 BHAERN C[C@H](O)c1ccc2c(c1)oc1ccccc12 ZINC000226294172 177017553 /nfs/dbraw/zinc/01/75/53/177017553.db2.gz WZNUWAJOOGPXBF-VIFPVBQESA-N 0 0 212.248 3.639 10 0 BHAERN Nc1cccc([C@@H](O)c2cccc3ccccc32)c1 ZINC000226294469 187565315 /nfs/dbraw/zinc/56/53/15/187565315.db2.gz MDEDEFKGOQVITA-QGZVFWFLSA-N 0 0 249.313 3.504 10 0 BHAERN Nc1cccc([C@H](O)c2cccc3ccccc32)c1 ZINC000226294478 192027389 /nfs/dbraw/zinc/02/73/89/192027389.db2.gz MDEDEFKGOQVITA-KRWDZBQOSA-N 0 0 249.313 3.504 10 0 BHAERN Nc1ccc([C@@H](O)c2cccc3ccccc32)cc1 ZINC000226294550 388715084 /nfs/dbraw/zinc/71/50/84/388715084.db2.gz IMMARIVSQUGZBT-QGZVFWFLSA-N 0 0 249.313 3.504 10 0 BHAERN Nc1ccc([C@H](O)c2cccc3ccccc32)cc1 ZINC000226294563 388714836 /nfs/dbraw/zinc/71/48/36/388714836.db2.gz IMMARIVSQUGZBT-KRWDZBQOSA-N 0 0 249.313 3.504 10 0 BHAERN CCc1cc(N)ccc1N(C)c1ccccc1 ZINC000226316156 384971145 /nfs/dbraw/zinc/97/11/45/384971145.db2.gz ZFGRWLRGJWJKEA-UHFFFAOYSA-N 0 0 226.323 3.599 10 0 BHAERN CCc1cc(N)ccc1N(CC)c1ccccc1 ZINC000226316166 171761104 /nfs/dbraw/zinc/76/11/04/171761104.db2.gz NHSKRONRGOENGN-UHFFFAOYSA-N 0 0 240.350 3.989 10 0 BHAERN CCc1cc(N)cc(Cl)c1NC1CCCC1 ZINC000226317149 384971461 /nfs/dbraw/zinc/97/14/61/384971461.db2.gz XGVQUQUQEUIUJP-UHFFFAOYSA-N 0 0 238.762 3.839 10 0 BHAERN CC(C)(C)[C@@H]1CC[C@@H](O)[C@@H](C(C)(C)C)C1 ZINC000226452179 188358348 /nfs/dbraw/zinc/35/83/48/188358348.db2.gz CBQDYDCHZZWCRJ-GRYCIOLGSA-N 0 0 212.377 3.856 10 0 BHAERN CC(C)(C)[C@@H]1CC[C@H](O)[C@@H](C(C)(C)C)C1 ZINC000226452189 188011237 /nfs/dbraw/zinc/01/12/37/188011237.db2.gz CBQDYDCHZZWCRJ-WOPDTQHZSA-N 0 0 212.377 3.856 10 0 BHAERN CC(C)Oc1nc(Cl)c(Cl)cc1Cl ZINC000226482051 371676414 /nfs/dbraw/zinc/67/64/14/371676414.db2.gz KQRKTNNTBVXLBS-UHFFFAOYSA-N 0 0 240.517 3.829 10 0 BHAERN CCCNc1nc(Cl)c(Cl)cc1Cl ZINC000226490057 350435356 /nfs/dbraw/zinc/43/53/56/350435356.db2.gz PZDHBHMEBSXWQF-UHFFFAOYSA-N 0 0 239.533 3.864 10 0 BHAERN CC(C)Nc1nc(Cl)c(Cl)cc1Cl ZINC000226490073 363434913 /nfs/dbraw/zinc/43/49/13/363434913.db2.gz LUFSVWDHMNUZLX-UHFFFAOYSA-N 0 0 239.533 3.862 10 0 BHAERN Clc1cc(Cl)c(NC2CC2)nc1Cl ZINC000226490151 350435494 /nfs/dbraw/zinc/43/54/94/350435494.db2.gz FGOQUGMRCXPOFK-UHFFFAOYSA-N 0 0 237.517 3.616 10 0 BHAERN Cc1ccsc1C(=O)[C@@H]1CCC[C@@H]1C ZINC000226529950 371687561 /nfs/dbraw/zinc/68/75/61/371687561.db2.gz JDDAFGXXKUDOCX-WCBMZHEXSA-N 0 0 208.326 3.675 10 0 BHAERN Cc1ccsc1C(=O)[C@H]1CCC[C@@H]1C ZINC000226529957 371688305 /nfs/dbraw/zinc/68/83/05/371688305.db2.gz JDDAFGXXKUDOCX-WPRPVWTQSA-N 0 0 208.326 3.675 10 0 BHAERN Cc1ccsc1C(=O)[C@@H]1CCC[C@H]1C ZINC000226529960 371688321 /nfs/dbraw/zinc/68/83/21/371688321.db2.gz JDDAFGXXKUDOCX-PSASIEDQSA-N 0 0 208.326 3.675 10 0 BHAERN Cc1ccsc1C(=O)[C@H]1CCC[C@H]1C ZINC000226529968 371687776 /nfs/dbraw/zinc/68/77/76/371687776.db2.gz JDDAFGXXKUDOCX-SCZZXKLOSA-N 0 0 208.326 3.675 10 0 BHAERN CCSc1nc(NC)c(Cl)cc1Cl ZINC000226634503 371711661 /nfs/dbraw/zinc/71/16/61/371711661.db2.gz PDZAYSSGTMGOBD-UHFFFAOYSA-N 0 0 237.155 3.542 10 0 BHAERN CCNc1nc(SC)c(Cl)cc1Cl ZINC000226635567 371711219 /nfs/dbraw/zinc/71/12/19/371711219.db2.gz HPNZRXXCZAHSBK-UHFFFAOYSA-N 0 0 237.155 3.542 10 0 BHAERN Cc1ccc(C(=O)c2cc(C)c(Cl)s2)o1 ZINC000226655250 371717922 /nfs/dbraw/zinc/71/79/22/371717922.db2.gz AOPVKVLFKYIVFD-UHFFFAOYSA-N 0 0 240.711 3.842 10 0 BHAERN Cc1cc(C(=O)C(C)C)sc1Cl ZINC000226655662 371718474 /nfs/dbraw/zinc/71/84/74/371718474.db2.gz GYHGVXUXCNWTFU-UHFFFAOYSA-N 0 0 202.706 3.549 10 0 BHAERN Cc1cc(C(=O)C(C)(C)C)sc1Cl ZINC000226656413 371718405 /nfs/dbraw/zinc/71/84/05/371718405.db2.gz NEOXVWQISYSSSK-UHFFFAOYSA-N 0 0 216.733 3.939 10 0 BHAERN Cc1cc(C(=O)C2CCC2)sc1Cl ZINC000226656928 350446194 /nfs/dbraw/zinc/44/61/94/350446194.db2.gz OJCUNGOCFFIJKH-UHFFFAOYSA-N 0 0 214.717 3.693 10 0 BHAERN Cc1ccsc1[C@H](O)[C@@H]1CCC[C@@H]1C ZINC000226658480 371717605 /nfs/dbraw/zinc/71/76/05/371717605.db2.gz KHKGRJJLXIWENK-JMJZKYOTSA-N 0 0 210.342 3.526 10 0 BHAERN Cc1ccsc1[C@H](O)[C@H]1CCC[C@@H]1C ZINC000226658498 371718002 /nfs/dbraw/zinc/71/80/02/371718002.db2.gz KHKGRJJLXIWENK-INTQDDNPSA-N 0 0 210.342 3.526 10 0 BHAERN Cc1cc(C(=O)[C@@H]2C[C@@H]2C)sc1Cl ZINC000226658752 350445920 /nfs/dbraw/zinc/44/59/20/350445920.db2.gz VNIAUBRRQCUXCH-CAHLUQPWSA-N 0 0 214.717 3.549 10 0 BHAERN Cc1cc(C(=O)[C@H]2C[C@@H]2C)sc1Cl ZINC000226658759 371718117 /nfs/dbraw/zinc/71/81/17/371718117.db2.gz VNIAUBRRQCUXCH-FSPLSTOPSA-N 0 0 214.717 3.549 10 0 BHAERN Cc1cc(C(=O)[C@@H]2C[C@H]2C)sc1Cl ZINC000226658765 371717910 /nfs/dbraw/zinc/71/79/10/371717910.db2.gz VNIAUBRRQCUXCH-IYSWYEEDSA-N 0 0 214.717 3.549 10 0 BHAERN Cc1cc(C(=O)[C@H]2C[C@H]2C)sc1Cl ZINC000226658770 371718445 /nfs/dbraw/zinc/71/84/45/371718445.db2.gz VNIAUBRRQCUXCH-VDTYLAMSSA-N 0 0 214.717 3.549 10 0 BHAERN Cc1cc(C(=O)c2ccoc2)sc1Cl ZINC000226659019 371718309 /nfs/dbraw/zinc/71/83/09/371718309.db2.gz SVDFHNZRNOZXTQ-UHFFFAOYSA-N 0 0 226.684 3.534 10 0 BHAERN Cc1cc([C@@H](O)C2CCC2)sc1Cl ZINC000226680625 371721778 /nfs/dbraw/zinc/72/17/78/371721778.db2.gz FLDPLJVEPINNKF-VIFPVBQESA-N 0 0 216.733 3.543 10 0 BHAERN Cc1cc([C@H](O)C2CCC2)sc1Cl ZINC000226680630 371721997 /nfs/dbraw/zinc/72/19/97/371721997.db2.gz FLDPLJVEPINNKF-SECBINFHSA-N 0 0 216.733 3.543 10 0 BHAERN Cc1cc([C@@H](O)CC2CC2)sc1Cl ZINC000226680772 371723104 /nfs/dbraw/zinc/72/31/04/371723104.db2.gz VHSDHNQFPLQCEJ-QMMMGPOBSA-N 0 0 216.733 3.543 10 0 BHAERN Cc1cc([C@H](O)CC2CC2)sc1Cl ZINC000226680779 371722876 /nfs/dbraw/zinc/72/28/76/371722876.db2.gz VHSDHNQFPLQCEJ-MRVPVSSYSA-N 0 0 216.733 3.543 10 0 BHAERN Cc1cc(-c2cccc(N)c2)sc1Cl ZINC000226694426 371725958 /nfs/dbraw/zinc/72/59/58/371725958.db2.gz QMQZQCQFBGVOAI-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN CC1(C)CCCC[C@@H]1C(=O)C1CCCC1 ZINC000226778769 350454096 /nfs/dbraw/zinc/45/40/96/350454096.db2.gz XMGIWMBGPQECTN-GFCCVEGCSA-N 0 0 208.345 3.962 10 0 BHAERN CC1(C)CCCC[C@H]1C(=O)C1CCCC1 ZINC000226778778 371742792 /nfs/dbraw/zinc/74/27/92/371742792.db2.gz XMGIWMBGPQECTN-LBPRGKRZSA-N 0 0 208.345 3.962 10 0 BHAERN CCC[C@@H]1C[C@@H]1Nc1cc(C(F)(F)F)ccn1 ZINC000226804805 385055579 /nfs/dbraw/zinc/05/55/79/385055579.db2.gz HTQXEOKWMJBSOD-SCZZXKLOSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@H]1C[C@@H]1Nc1cc(C(F)(F)F)ccn1 ZINC000226804811 385055130 /nfs/dbraw/zinc/05/51/30/385055130.db2.gz HTQXEOKWMJBSOD-WPRPVWTQSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@@H]1C[C@H]1Nc1cc(C(F)(F)F)ccn1 ZINC000226804816 385056340 /nfs/dbraw/zinc/05/63/40/385056340.db2.gz HTQXEOKWMJBSOD-PSASIEDQSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@H]1C[C@H]1Nc1cc(C(F)(F)F)ccn1 ZINC000226804823 385054870 /nfs/dbraw/zinc/05/48/70/385054870.db2.gz HTQXEOKWMJBSOD-WCBMZHEXSA-N 0 0 244.260 3.701 10 0 BHAERN CC1(C)CCCC[C@@H]1c1nc(Cl)ns1 ZINC000226986532 371763410 /nfs/dbraw/zinc/76/34/10/371763410.db2.gz JPIHWTUXXALACA-SSDOTTSWSA-N 0 0 230.764 3.875 10 0 BHAERN CC1(C)CCCC[C@H]1c1nc(Cl)ns1 ZINC000226986541 371762925 /nfs/dbraw/zinc/76/29/25/371762925.db2.gz JPIHWTUXXALACA-ZETCQYMHSA-N 0 0 230.764 3.875 10 0 BHAERN CC[C@@H]1C[C@@H]1Nc1nc2ccccc2s1 ZINC000227011635 171124809 /nfs/dbraw/zinc/12/48/09/171124809.db2.gz GYQUOVNTSDVINN-SCZZXKLOSA-N 0 0 218.325 3.507 10 0 BHAERN CC[C@H]1C[C@@H]1Nc1nc2ccccc2s1 ZINC000227011643 388737158 /nfs/dbraw/zinc/73/71/58/388737158.db2.gz GYQUOVNTSDVINN-WPRPVWTQSA-N 0 0 218.325 3.507 10 0 BHAERN CC[C@H]1C[C@H]1Nc1nc2ccccc2s1 ZINC000227011659 388736503 /nfs/dbraw/zinc/73/65/03/388736503.db2.gz GYQUOVNTSDVINN-WCBMZHEXSA-N 0 0 218.325 3.507 10 0 BHAERN c1coc([C@H]2C[C@H]3C[C@@H](c4cccs4)N2O3)c1 ZINC000227017913 640809855 /nfs/dbraw/zinc/80/98/55/640809855.db2.gz ONSBNFIKUPIOTG-AXFHLTTASA-N 0 0 247.319 3.533 10 0 BHAERN CC(C)(C)OC(=O)Nc1ccccc1NC1CC1 ZINC000227593267 344564262 /nfs/dbraw/zinc/56/42/62/344564262.db2.gz UBUSTAPWYMAJMD-UHFFFAOYSA-N 0 0 248.326 3.608 10 0 BHAERN Fc1cc(Oc2ccc(Cl)cc2)ccn1 ZINC000227638072 371909072 /nfs/dbraw/zinc/90/90/72/371909072.db2.gz MECIZZBNHLWOCQ-UHFFFAOYSA-N 0 0 223.634 3.666 10 0 BHAERN Fc1cc(Oc2cccc(Cl)c2)ccn1 ZINC000227638287 371911409 /nfs/dbraw/zinc/91/14/09/371911409.db2.gz XCXAUCHYJNOMNW-UHFFFAOYSA-N 0 0 223.634 3.666 10 0 BHAERN Fc1cc(SCc2ccccc2)ccn1 ZINC000227646887 344712849 /nfs/dbraw/zinc/71/28/49/344712849.db2.gz UPJVFJFMVKZDPX-UHFFFAOYSA-N 0 0 219.284 3.513 10 0 BHAERN Cc1ccc(Sc2ccnc(F)c2)cc1 ZINC000227646897 344712343 /nfs/dbraw/zinc/71/23/43/344712343.db2.gz AHSNNIQXIXOYBG-UHFFFAOYSA-N 0 0 219.284 3.680 10 0 BHAERN Fc1cc(Sc2ccccc2F)ccn1 ZINC000227646908 344712281 /nfs/dbraw/zinc/71/22/81/344712281.db2.gz GUZYPUSFMGLOIY-UHFFFAOYSA-N 0 0 223.247 3.511 10 0 BHAERN Cc1ccccc1Sc1ccnc(F)c1 ZINC000227647060 371913744 /nfs/dbraw/zinc/91/37/44/371913744.db2.gz MLHYUCSMNQJBBK-UHFFFAOYSA-N 0 0 219.284 3.680 10 0 BHAERN Fc1cc(SC2CCCCC2)ccn1 ZINC000227647072 371914687 /nfs/dbraw/zinc/91/46/87/371914687.db2.gz OKSDWEUWUQKXIU-UHFFFAOYSA-N 0 0 211.305 3.646 10 0 BHAERN Fc1cc(SCC2CCCC2)ccn1 ZINC000227647232 371914936 /nfs/dbraw/zinc/91/49/36/371914936.db2.gz VFOJCKGMIVPGGX-UHFFFAOYSA-N 0 0 211.305 3.503 10 0 BHAERN Fc1cccc(Sc2ccnc(F)c2)c1 ZINC000227647366 371914960 /nfs/dbraw/zinc/91/49/60/371914960.db2.gz FAIWVSPGRCDVGF-UHFFFAOYSA-N 0 0 223.247 3.511 10 0 BHAERN Clc1cc(Nc2ccsc2)ccn1 ZINC000227688108 371921549 /nfs/dbraw/zinc/92/15/49/371921549.db2.gz MEAIHMZKLLRSFP-UHFFFAOYSA-N 0 0 210.689 3.540 10 0 BHAERN C[C@@H](CNc1ccnc(Cl)c1)C(C)(C)C ZINC000227688684 371921808 /nfs/dbraw/zinc/92/18/08/371921808.db2.gz ANANJRZGGNRBPL-VIFPVBQESA-N 0 0 226.751 3.829 10 0 BHAERN C[C@H](CNc1ccnc(Cl)c1)C(C)(C)C ZINC000227688688 345264013 /nfs/dbraw/zinc/26/40/13/345264013.db2.gz ANANJRZGGNRBPL-SECBINFHSA-N 0 0 226.751 3.829 10 0 BHAERN Cc1ccc(-c2cc(Cl)ccn2)s1 ZINC000227693837 371922090 /nfs/dbraw/zinc/92/20/90/371922090.db2.gz PFKFWJOTOSROQW-UHFFFAOYSA-N 0 0 209.701 3.772 10 0 BHAERN Cc1sc(C(=O)C(C)C)cc1Br ZINC000227709446 371923536 /nfs/dbraw/zinc/92/35/36/371923536.db2.gz GNVRNDMWTGFZAZ-UHFFFAOYSA-N 0 0 247.157 3.658 10 0 BHAERN Cc1sccc1[C@@H](O)C1CCCCC1 ZINC000227747732 371929827 /nfs/dbraw/zinc/92/98/27/371929827.db2.gz JMXJQJJMCBEOAR-LBPRGKRZSA-N 0 0 210.342 3.670 10 0 BHAERN Cc1sccc1[C@H](O)C1CCCCC1 ZINC000227747737 371930091 /nfs/dbraw/zinc/93/00/91/371930091.db2.gz JMXJQJJMCBEOAR-GFCCVEGCSA-N 0 0 210.342 3.670 10 0 BHAERN Cc1sccc1C(=O)c1cccc(C)c1 ZINC000227771262 371936417 /nfs/dbraw/zinc/93/64/17/371936417.db2.gz RMLPMRAIXWVWMB-UHFFFAOYSA-N 0 0 216.305 3.596 10 0 BHAERN Cc1sccc1[C@H](O)[C@@H]1CC[C@@H](C)C1 ZINC000227778680 371935540 /nfs/dbraw/zinc/93/55/40/371935540.db2.gz DYYLZQQHLHHXKR-HLUHBDAQSA-N 0 0 210.342 3.526 10 0 BHAERN Cc1sccc1[C@H](O)[C@H]1CC[C@@H](C)C1 ZINC000227778689 371935556 /nfs/dbraw/zinc/93/55/56/371935556.db2.gz DYYLZQQHLHHXKR-UBHAPETDSA-N 0 0 210.342 3.526 10 0 BHAERN Cc1sccc1-c1ccc(C)c(N)c1 ZINC000227808563 371940919 /nfs/dbraw/zinc/94/09/19/371940919.db2.gz JPEAQEPPTUBXSG-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1sccc1-c1cc(Cl)ccc1N ZINC000227808647 346448641 /nfs/dbraw/zinc/44/86/41/346448641.db2.gz NHQBNYPRMYCFTA-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Cc1sccc1-c1ccc2c(c1)CCN2 ZINC000227808735 538737973 /nfs/dbraw/zinc/73/79/73/538737973.db2.gz YVENQZXEBIBKLL-UHFFFAOYSA-N 0 0 215.321 3.692 10 0 BHAERN Cc1sccc1-c1ccc(Cl)cc1N ZINC000227808789 371940836 /nfs/dbraw/zinc/94/08/36/371940836.db2.gz LSTCROMPMASBQI-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Cc1sccc1-c1ccc(Cl)c(N)c1 ZINC000227808880 346448409 /nfs/dbraw/zinc/44/84/09/346448409.db2.gz RPQJDYKBPIKGKR-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Cc1sccc1-c1cccc(C=O)c1 ZINC000227809299 538735863 /nfs/dbraw/zinc/73/58/63/538735863.db2.gz QQTHRJMFXCGDKS-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN Cc1sccc1-c1ccc(C=O)c(F)c1 ZINC000227809312 538734972 /nfs/dbraw/zinc/73/49/72/538734972.db2.gz UBAZFCCOOLFYFR-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN CC(=O)c1ccc(-c2ccsc2C)cc1 ZINC000227809333 538736510 /nfs/dbraw/zinc/73/65/10/538736510.db2.gz UKUWQWFFZKGZQQ-UHFFFAOYSA-N 0 0 216.305 3.926 10 0 BHAERN CC(=O)c1cccc(-c2ccsc2C)c1 ZINC000227809340 538735595 /nfs/dbraw/zinc/73/55/95/538735595.db2.gz VJVIDCNSQRCDOI-UHFFFAOYSA-N 0 0 216.305 3.926 10 0 BHAERN Cc1sccc1-c1ccc(C=O)cc1 ZINC000227809355 538735968 /nfs/dbraw/zinc/73/59/68/538735968.db2.gz XJLRLRSOAXSJQC-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN Cc1sccc1-c1ccccc1C=O ZINC000227809375 538735600 /nfs/dbraw/zinc/73/56/00/538735600.db2.gz FJBDYVDYYGIUNK-UHFFFAOYSA-N 0 0 202.278 3.536 10 0 BHAERN CC(=O)c1ccccc1-c1ccsc1C ZINC000227809483 371941722 /nfs/dbraw/zinc/94/17/22/371941722.db2.gz YFADTHRWLGGBSG-UHFFFAOYSA-N 0 0 216.305 3.926 10 0 BHAERN Cc1sccc1-c1ccc(C=O)cc1C ZINC000227809545 371940753 /nfs/dbraw/zinc/94/07/53/371940753.db2.gz OCIMWXSJIDXPBE-UHFFFAOYSA-N 0 0 216.305 3.844 10 0 BHAERN Cc1sccc1-c1ccc(O)cc1C ZINC000227876986 371950881 /nfs/dbraw/zinc/95/08/81/371950881.db2.gz BSJJVZYSRITFHV-UHFFFAOYSA-N 0 0 204.294 3.738 10 0 BHAERN Cc1ccc(C(=O)c2ccsc2C)s1 ZINC000227887584 371955620 /nfs/dbraw/zinc/95/56/20/371955620.db2.gz JRTUFAGYSKVJMQ-UHFFFAOYSA-N 0 0 222.334 3.657 10 0 BHAERN CCc1ccc(C(=O)c2ccsc2C)s1 ZINC000227888488 371955588 /nfs/dbraw/zinc/95/55/88/371955588.db2.gz QHCFSNFNAJZEGM-UHFFFAOYSA-N 0 0 236.361 3.911 10 0 BHAERN Cc1sccc1[C@@H](O)C1(C)CCCC1 ZINC000227917622 371957749 /nfs/dbraw/zinc/95/77/49/371957749.db2.gz KPCPMNBSGXUUIZ-LLVKDONJSA-N 0 0 210.342 3.670 10 0 BHAERN Cc1sccc1[C@H](O)C1(C)CCCC1 ZINC000227917630 371957775 /nfs/dbraw/zinc/95/77/75/371957775.db2.gz KPCPMNBSGXUUIZ-NSHDSACASA-N 0 0 210.342 3.670 10 0 BHAERN CC(C)(C)[C@@](C)(O)Cc1ccc(Cl)s1 ZINC000227978604 371965471 /nfs/dbraw/zinc/96/54/71/371965471.db2.gz WLXSTKUTXPSAIZ-NSHDSACASA-N 0 0 232.776 3.741 10 0 BHAERN CC(C)(C)[C@](C)(O)Cc1ccc(Cl)s1 ZINC000227978613 371966188 /nfs/dbraw/zinc/96/61/88/371966188.db2.gz WLXSTKUTXPSAIZ-LLVKDONJSA-N 0 0 232.776 3.741 10 0 BHAERN CC[C@@H](C)c1cn2cc(Cl)ccc2n1 ZINC000228011615 371975717 /nfs/dbraw/zinc/97/57/17/371975717.db2.gz ZMZVHJPEAOKCQG-MRVPVSSYSA-N 0 0 208.692 3.501 10 0 BHAERN CC[C@H](C)c1cn2cc(Cl)ccc2n1 ZINC000228011626 371975819 /nfs/dbraw/zinc/97/58/19/371975819.db2.gz ZMZVHJPEAOKCQG-QMMMGPOBSA-N 0 0 208.692 3.501 10 0 BHAERN CCc1nc2c(Cl)cc(Cl)cn2c1C ZINC000228015252 371976103 /nfs/dbraw/zinc/97/61/03/371976103.db2.gz GFXXYHQOZQLPCJ-UHFFFAOYSA-N 0 0 229.110 3.512 10 0 BHAERN CCc1c(C)nc2c(Cl)cc(Cl)cn12 ZINC000228015324 371975862 /nfs/dbraw/zinc/97/58/62/371975862.db2.gz OGWYGZRJYQNEDP-UHFFFAOYSA-N 0 0 229.110 3.512 10 0 BHAERN CCC[C@@H](C)Nc1ccc(Cl)nc1C ZINC000228093000 371989906 /nfs/dbraw/zinc/98/99/06/371989906.db2.gz RFXIVXDHBYOXQZ-MRVPVSSYSA-N 0 0 212.724 3.644 10 0 BHAERN CCC[C@H](C)Nc1ccc(Cl)nc1C ZINC000228093008 371989894 /nfs/dbraw/zinc/98/98/94/371989894.db2.gz RFXIVXDHBYOXQZ-QMMMGPOBSA-N 0 0 212.724 3.644 10 0 BHAERN CCC[C@@H](C)Nc1cc(Cl)ccc1N ZINC000228405367 386570403 /nfs/dbraw/zinc/57/04/03/386570403.db2.gz SXDACLRCKDMROV-MRVPVSSYSA-N 0 0 212.724 3.523 10 0 BHAERN CCC[C@H](C)Nc1cc(Cl)ccc1N ZINC000228405375 386571475 /nfs/dbraw/zinc/57/14/75/386571475.db2.gz SXDACLRCKDMROV-QMMMGPOBSA-N 0 0 212.724 3.523 10 0 BHAERN CCC(C)(C)Nc1cc(Cl)ccc1N ZINC000228405666 350541186 /nfs/dbraw/zinc/54/11/86/350541186.db2.gz FVRLCIYZNNTHGM-UHFFFAOYSA-N 0 0 212.724 3.523 10 0 BHAERN Nc1ccc(Cl)cc1Nc1ccsc1 ZINC000228413025 398324348 /nfs/dbraw/zinc/32/43/48/398324348.db2.gz LWWSSKVVYXGPNN-UHFFFAOYSA-N 0 0 224.716 3.727 10 0 BHAERN CC(C)(C)Sc1cc(Cl)ccc1N ZINC000228416167 372025086 /nfs/dbraw/zinc/02/50/86/372025086.db2.gz YARFKDHAHARXCJ-UHFFFAOYSA-N 0 0 215.749 3.813 10 0 BHAERN Nc1ccc(Cl)nc1Sc1cccs1 ZINC000228450508 350542314 /nfs/dbraw/zinc/54/23/14/350542314.db2.gz UHJFVAXTVZBQTM-UHFFFAOYSA-N 0 0 242.756 3.530 10 0 BHAERN C[C@@H](Nc1cccc(Cl)c1F)C(F)F ZINC000228486937 372034262 /nfs/dbraw/zinc/03/42/62/372034262.db2.gz HRLSWXSNXOIJMS-RXMQYKEDSA-N 0 0 223.625 3.545 10 0 BHAERN C[C@H](Nc1cccc(Cl)c1F)C(F)F ZINC000228486942 372034091 /nfs/dbraw/zinc/03/40/91/372034091.db2.gz HRLSWXSNXOIJMS-YFKPBYRVSA-N 0 0 223.625 3.545 10 0 BHAERN C[C@@H](Nc1ccc(Cl)c(F)c1)C(F)F ZINC000228497574 372035846 /nfs/dbraw/zinc/03/58/46/372035846.db2.gz PUPBUCCMRILMLH-RXMQYKEDSA-N 0 0 223.625 3.545 10 0 BHAERN C[C@H](Nc1ccc(Cl)c(F)c1)C(F)F ZINC000228497580 372036153 /nfs/dbraw/zinc/03/61/53/372036153.db2.gz PUPBUCCMRILMLH-YFKPBYRVSA-N 0 0 223.625 3.545 10 0 BHAERN C[C@@H](Nc1c(F)cccc1Cl)C(F)F ZINC000228522333 372041410 /nfs/dbraw/zinc/04/14/10/372041410.db2.gz ITWVBRGZSDDGBY-RXMQYKEDSA-N 0 0 223.625 3.545 10 0 BHAERN C[C@H](Nc1c(F)cccc1Cl)C(F)F ZINC000228522338 372041866 /nfs/dbraw/zinc/04/18/66/372041866.db2.gz ITWVBRGZSDDGBY-YFKPBYRVSA-N 0 0 223.625 3.545 10 0 BHAERN CC1(C)COc2ccc(-c3cccc(N)c3)cc21 ZINC000228529926 487670894 /nfs/dbraw/zinc/67/08/94/487670894.db2.gz NIELRNOEYJGFNE-UHFFFAOYSA-N 0 0 239.318 3.606 10 0 BHAERN CC1(C)COc2ccc(-c3ccccc3N)cc21 ZINC000228530081 487670797 /nfs/dbraw/zinc/67/07/97/487670797.db2.gz AYGAIFHNMNNIQX-UHFFFAOYSA-N 0 0 239.318 3.606 10 0 BHAERN CC1(C)COc2ccc(-c3ccc(N)cc3)cc21 ZINC000228530166 487671104 /nfs/dbraw/zinc/67/11/04/487671104.db2.gz ZSSGNFXXUSBLON-UHFFFAOYSA-N 0 0 239.318 3.606 10 0 BHAERN c1ccc2nc(NCC3(C4CC4)CC3)ccc2c1 ZINC000228665019 384303371 /nfs/dbraw/zinc/30/33/71/384303371.db2.gz DGTLDEXMOVAFDL-UHFFFAOYSA-N 0 0 238.334 3.837 10 0 BHAERN CCCc1nc(Cl)c2ccc(Cl)cc2n1 ZINC000228787376 372080139 /nfs/dbraw/zinc/08/01/39/372080139.db2.gz KPUFUXAAJQJIEI-UHFFFAOYSA-N 0 0 241.121 3.889 10 0 BHAERN Fc1ccc(-c2cc(Cl)on2)c(Cl)c1 ZINC000228787515 372080771 /nfs/dbraw/zinc/08/07/71/372080771.db2.gz URDFXXJOGMQHQN-UHFFFAOYSA-N 0 0 232.041 3.788 10 0 BHAERN O=C1CCc2c1cccc2-c1cccs1 ZINC000228798423 345398528 /nfs/dbraw/zinc/39/85/28/345398528.db2.gz AONBDLFIDSLVTI-UHFFFAOYSA-N 0 0 214.289 3.544 10 0 BHAERN CCC(=O)c1cc(Cl)cc(Br)c1 ZINC000228807053 345401661 /nfs/dbraw/zinc/40/16/61/345401661.db2.gz UTJMBESKQVEVGL-UHFFFAOYSA-N 0 0 247.519 3.695 10 0 BHAERN O=C1CCC[C@@H]1Cc1cccc(Cl)c1Cl ZINC000228825567 372083659 /nfs/dbraw/zinc/08/36/59/372083659.db2.gz KUQCNFXGWZHRLM-MRVPVSSYSA-N 0 0 243.133 3.905 10 0 BHAERN O=C1CCC[C@H]1Cc1cccc(Cl)c1Cl ZINC000228825576 372083859 /nfs/dbraw/zinc/08/38/59/372083859.db2.gz KUQCNFXGWZHRLM-QMMMGPOBSA-N 0 0 243.133 3.905 10 0 BHAERN Cc1c[nH]c(-c2cc(Cl)cc(Cl)c2)n1 ZINC000228840630 351420115 /nfs/dbraw/zinc/42/01/15/351420115.db2.gz YWCHCQUCNJHXIV-UHFFFAOYSA-N 0 0 227.094 3.692 10 0 BHAERN CC(C)C(=O)Cc1cccc(Cl)c1Cl ZINC000228847563 351434308 /nfs/dbraw/zinc/43/43/08/351434308.db2.gz YSTPOZICSZHUIP-UHFFFAOYSA-N 0 0 231.122 3.761 10 0 BHAERN Clc1ccc(N2CC[C@@H]3CCCC[C@H]32)nc1 ZINC000228852062 180582193 /nfs/dbraw/zinc/58/21/93/180582193.db2.gz IVGCVZJWBZODCA-CMPLNLGQSA-N 0 0 236.746 3.504 10 0 BHAERN Clc1ccc(N2CC[C@H]3CCCC[C@H]32)nc1 ZINC000228852074 384350045 /nfs/dbraw/zinc/35/00/45/384350045.db2.gz IVGCVZJWBZODCA-ZYHUDNBSSA-N 0 0 236.746 3.504 10 0 BHAERN Fc1cccc(-c2csc(Cl)n2)c1F ZINC000228896542 351477603 /nfs/dbraw/zinc/47/76/03/351477603.db2.gz SBCGMFAAYCSGCW-UHFFFAOYSA-N 0 0 231.654 3.742 10 0 BHAERN C[C@@H](O)[C@@H](C)Cc1cccc(Cl)c1Cl ZINC000228899425 351478648 /nfs/dbraw/zinc/47/86/48/351478648.db2.gz MEBQXJCSDHGMTQ-JGVFFNPUSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@H](O)[C@@H](C)Cc1cccc(Cl)c1Cl ZINC000228899436 351479286 /nfs/dbraw/zinc/47/92/86/351479286.db2.gz MEBQXJCSDHGMTQ-YUMQZZPRSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@@H](O)[C@H](C)Cc1cccc(Cl)c1Cl ZINC000228899450 351479421 /nfs/dbraw/zinc/47/94/21/351479421.db2.gz MEBQXJCSDHGMTQ-HTQZYQBOSA-N 0 0 233.138 3.553 10 0 BHAERN C[C@H](Cc1cccc(Cl)c1Cl)[C@H](C)O ZINC000228899462 351479025 /nfs/dbraw/zinc/47/90/25/351479025.db2.gz MEBQXJCSDHGMTQ-SFYZADRCSA-N 0 0 233.138 3.553 10 0 BHAERN Clc1cccc(Cn2cccc2)c1Cl ZINC000228924115 351497892 /nfs/dbraw/zinc/49/78/92/351497892.db2.gz HPHOACRSHFPVSG-UHFFFAOYSA-N 0 0 226.106 3.843 10 0 BHAERN O=C1CC[C@@H](Cc2cccc(Cl)c2Cl)C1 ZINC000228927407 351496730 /nfs/dbraw/zinc/49/67/30/351496730.db2.gz YIRCGJLVHYJEMD-QMMMGPOBSA-N 0 0 243.133 3.905 10 0 BHAERN O=C1CC[C@H](Cc2cccc(Cl)c2Cl)C1 ZINC000228927420 351496491 /nfs/dbraw/zinc/49/64/91/351496491.db2.gz YIRCGJLVHYJEMD-MRVPVSSYSA-N 0 0 243.133 3.905 10 0 BHAERN O[C@@H]1CCSCc2c(Cl)c(Cl)ccc21 ZINC000228959111 386172699 /nfs/dbraw/zinc/17/26/99/386172699.db2.gz AFBXALLISRWCNH-SECBINFHSA-N 0 0 249.162 3.664 10 0 BHAERN O[C@H]1CCSCc2c(Cl)c(Cl)ccc21 ZINC000228959125 386172355 /nfs/dbraw/zinc/17/23/55/386172355.db2.gz AFBXALLISRWCNH-VIFPVBQESA-N 0 0 249.162 3.664 10 0 BHAERN CCCOc1ccccc1-c1ccc(C=O)cc1 ZINC000228966666 635465971 /nfs/dbraw/zinc/46/59/71/635465971.db2.gz ULJMRUTZJAGDPB-UHFFFAOYSA-N 0 0 240.302 3.955 10 0 BHAERN c1c[nH]c(-c2nc(-c3cccs3)cs2)c1 ZINC000229012731 526404530 /nfs/dbraw/zinc/40/45/30/526404530.db2.gz NUCXYDNMIYQCHU-UHFFFAOYSA-N 0 0 232.333 3.867 10 0 BHAERN Fc1ccc(-c2csc(-c3ccc[nH]3)n2)cc1 ZINC000229012743 526313556 /nfs/dbraw/zinc/31/35/56/526313556.db2.gz BNQXYHDVVWPDGQ-UHFFFAOYSA-N 0 0 244.294 3.944 10 0 BHAERN C[C@@H](C(=O)[C@H]1CC[C@@H](C)[C@@H](C)C1)C1CC1 ZINC000229191116 372126400 /nfs/dbraw/zinc/12/64/00/372126400.db2.gz MUEBHCFYKRRJEV-XZUYRWCXSA-N 0 0 208.345 3.674 10 0 BHAERN CCc1ccccc1C(=O)C(CC)CC ZINC000229214857 352652753 /nfs/dbraw/zinc/65/27/53/352652753.db2.gz YKJXPAOXICOGEO-UHFFFAOYSA-N 0 0 204.313 3.868 10 0 BHAERN CCC(CC)C(=O)c1ccc(C)cc1F ZINC000229216686 411497495 /nfs/dbraw/zinc/49/74/95/411497495.db2.gz UPAXZBKDYXBVQF-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(C)cc(F)c1 ZINC000229242509 372132133 /nfs/dbraw/zinc/13/21/33/372132133.db2.gz BMXAWIFSWFBFJH-SNVBAGLBSA-N 0 0 208.276 3.753 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(C)cc(F)c1 ZINC000229242519 372132124 /nfs/dbraw/zinc/13/21/24/372132124.db2.gz BMXAWIFSWFBFJH-JTQLQIEISA-N 0 0 208.276 3.753 10 0 BHAERN CCC(C)(C)C(=O)c1cc(C)cc(F)c1 ZINC000229243842 345463478 /nfs/dbraw/zinc/46/34/78/345463478.db2.gz KDKOTZHUPRDPJQ-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN CC[C@@H](O)c1cccc(Br)c1Cl ZINC000229245194 372131836 /nfs/dbraw/zinc/13/18/36/372131836.db2.gz MJSQHQAHWYEPAN-MRVPVSSYSA-N 0 0 249.535 3.546 10 0 BHAERN CC[C@H](O)c1cccc(Br)c1Cl ZINC000229245205 372131911 /nfs/dbraw/zinc/13/19/11/372131911.db2.gz MJSQHQAHWYEPAN-QMMMGPOBSA-N 0 0 249.535 3.546 10 0 BHAERN CC[C@@H](O)c1ccc(Br)c(Cl)c1 ZINC000229245308 372129855 /nfs/dbraw/zinc/12/98/55/372129855.db2.gz CSPSXLGHQFPKPS-SECBINFHSA-N 0 0 249.535 3.546 10 0 BHAERN CC[C@H](O)c1ccc(Br)c(Cl)c1 ZINC000229245315 372132201 /nfs/dbraw/zinc/13/22/01/372132201.db2.gz CSPSXLGHQFPKPS-VIFPVBQESA-N 0 0 249.535 3.546 10 0 BHAERN CC[C@@H](C)C(=O)c1cccc(F)c1Cl ZINC000229248527 372132239 /nfs/dbraw/zinc/13/22/39/372132239.db2.gz WZNUWRMGZLBJGE-SSDOTTSWSA-N 0 0 214.667 3.708 10 0 BHAERN CC[C@H](C)C(=O)c1cccc(F)c1Cl ZINC000229248538 411500357 /nfs/dbraw/zinc/50/03/57/411500357.db2.gz WZNUWRMGZLBJGE-ZETCQYMHSA-N 0 0 214.667 3.708 10 0 BHAERN CC[C@@H](C)C(=O)c1ccc(OC(F)F)cc1 ZINC000229248576 411500333 /nfs/dbraw/zinc/50/03/33/411500333.db2.gz DNNZQNFNPXGKBD-MRVPVSSYSA-N 0 0 228.238 3.517 10 0 BHAERN CC[C@H](C)C(=O)c1ccc(OC(F)F)cc1 ZINC000229248590 411500346 /nfs/dbraw/zinc/50/03/46/411500346.db2.gz DNNZQNFNPXGKBD-QMMMGPOBSA-N 0 0 228.238 3.517 10 0 BHAERN CC[C@@H](C)C(=O)c1cc(Cl)ccc1C ZINC000229249463 372132186 /nfs/dbraw/zinc/13/21/86/372132186.db2.gz QJCMUGLSTLLKIN-MRVPVSSYSA-N 0 0 210.704 3.877 10 0 BHAERN CC[C@H](C)C(=O)c1cc(Cl)ccc1C ZINC000229249471 345467813 /nfs/dbraw/zinc/46/78/13/345467813.db2.gz QJCMUGLSTLLKIN-QMMMGPOBSA-N 0 0 210.704 3.877 10 0 BHAERN CC[C@@H](C)C(=O)c1ccccc1SC ZINC000229249527 372131626 /nfs/dbraw/zinc/13/16/26/372131626.db2.gz WPRXARUXQCXNOU-SECBINFHSA-N 0 0 208.326 3.637 10 0 BHAERN CC[C@H](C)C(=O)c1ccccc1SC ZINC000229249537 372131768 /nfs/dbraw/zinc/13/17/68/372131768.db2.gz WPRXARUXQCXNOU-VIFPVBQESA-N 0 0 208.326 3.637 10 0 BHAERN CC[C@@H](C)C(=O)c1cccc(OC(F)F)c1 ZINC000229249612 372131858 /nfs/dbraw/zinc/13/18/58/372131858.db2.gz UYHWBEVALYHRTE-MRVPVSSYSA-N 0 0 228.238 3.517 10 0 BHAERN CC[C@H](C)C(=O)c1cccc(OC(F)F)c1 ZINC000229249623 372131509 /nfs/dbraw/zinc/13/15/09/372131509.db2.gz UYHWBEVALYHRTE-QMMMGPOBSA-N 0 0 228.238 3.517 10 0 BHAERN CC[C@@H](C)C(=O)c1ccc(Cl)c(C)c1 ZINC000229250250 352669047 /nfs/dbraw/zinc/66/90/47/352669047.db2.gz GHKDRZFEULYISO-MRVPVSSYSA-N 0 0 210.704 3.877 10 0 BHAERN CC[C@H](C)C(=O)c1ccc(Cl)c(C)c1 ZINC000229250259 352669237 /nfs/dbraw/zinc/66/92/37/352669237.db2.gz GHKDRZFEULYISO-QMMMGPOBSA-N 0 0 210.704 3.877 10 0 BHAERN CC[C@@H](C)C(=O)c1cccc(C)c1Cl ZINC000229250288 345468133 /nfs/dbraw/zinc/46/81/33/345468133.db2.gz VXURNZQEROHYRI-MRVPVSSYSA-N 0 0 210.704 3.877 10 0 BHAERN CC[C@H](C)C(=O)c1cccc(C)c1Cl ZINC000229250296 352669170 /nfs/dbraw/zinc/66/91/70/352669170.db2.gz VXURNZQEROHYRI-QMMMGPOBSA-N 0 0 210.704 3.877 10 0 BHAERN CC[C@@H](C)C(=O)c1ccc(C)c(Cl)c1 ZINC000229251051 411190185 /nfs/dbraw/zinc/19/01/85/411190185.db2.gz HYFFZHDVHDASCG-MRVPVSSYSA-N 0 0 210.704 3.877 10 0 BHAERN CC[C@H](C)C(=O)c1ccc(C)c(Cl)c1 ZINC000229251060 411190094 /nfs/dbraw/zinc/19/00/94/411190094.db2.gz HYFFZHDVHDASCG-QMMMGPOBSA-N 0 0 210.704 3.877 10 0 BHAERN CC[C@@H](C)C(=O)c1ccccc1OC(F)F ZINC000229251131 411190414 /nfs/dbraw/zinc/19/04/14/411190414.db2.gz YWQZUXFMZLTTMT-MRVPVSSYSA-N 0 0 228.238 3.517 10 0 BHAERN CC[C@H](C)C(=O)c1ccccc1OC(F)F ZINC000229251146 411190721 /nfs/dbraw/zinc/19/07/21/411190721.db2.gz YWQZUXFMZLTTMT-QMMMGPOBSA-N 0 0 228.238 3.517 10 0 BHAERN CCc1cccc(C(=O)C(CC)CC)c1 ZINC000229263235 372134639 /nfs/dbraw/zinc/13/46/39/372134639.db2.gz AVNGCMIXAQLJNZ-UHFFFAOYSA-N 0 0 204.313 3.868 10 0 BHAERN CCC[C@@H](C)C(=O)c1cccc(CC)c1 ZINC000229263560 372134733 /nfs/dbraw/zinc/13/47/33/372134733.db2.gz HVARCGINFCDLBP-LLVKDONJSA-N 0 0 204.313 3.868 10 0 BHAERN CCC[C@H](C)C(=O)c1cccc(CC)c1 ZINC000229263568 372133847 /nfs/dbraw/zinc/13/38/47/372133847.db2.gz HVARCGINFCDLBP-NSHDSACASA-N 0 0 204.313 3.868 10 0 BHAERN CCc1cccc(C(=O)C(C)(C)CC)c1 ZINC000229265693 372133862 /nfs/dbraw/zinc/13/38/62/372133862.db2.gz UCPVGCNKRZIKRE-UHFFFAOYSA-N 0 0 204.313 3.868 10 0 BHAERN Fc1c(Cl)ccc2c(Cl)nccc12 ZINC000229266784 372134534 /nfs/dbraw/zinc/13/45/34/372134534.db2.gz MUMLVCOGKHKNFE-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN Cc1c(Cl)cc(N)c(Cl)c1Cl ZINC000229313553 345492762 /nfs/dbraw/zinc/49/27/62/345492762.db2.gz LQMCNNWOEMMDCB-UHFFFAOYSA-N 0 0 210.491 3.537 10 0 BHAERN CCC[C@@H](C)C(=O)c1cccc(OCC)c1 ZINC000229335975 372143796 /nfs/dbraw/zinc/14/37/96/372143796.db2.gz HYAMLJAPKRYJMR-LLVKDONJSA-N 0 0 220.312 3.704 10 0 BHAERN CCC[C@H](C)C(=O)c1cccc(OCC)c1 ZINC000229335988 372144380 /nfs/dbraw/zinc/14/43/80/372144380.db2.gz HYAMLJAPKRYJMR-NSHDSACASA-N 0 0 220.312 3.704 10 0 BHAERN CCOc1cccc(C(=O)C(C)(C)CC)c1 ZINC000229339645 372143711 /nfs/dbraw/zinc/14/37/11/372143711.db2.gz ZJZBKVNRTAZBNI-UHFFFAOYSA-N 0 0 220.312 3.704 10 0 BHAERN C[C@H](C(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000229343069 353130484 /nfs/dbraw/zinc/13/04/84/353130484.db2.gz UYDGYMXMJADBEM-ZETCQYMHSA-N 0 0 226.678 3.708 10 0 BHAERN C[C@@H](C(=O)c1ccc(Cl)cc1F)C1CC1 ZINC000229343080 353130688 /nfs/dbraw/zinc/13/06/88/353130688.db2.gz UYDGYMXMJADBEM-SSDOTTSWSA-N 0 0 226.678 3.708 10 0 BHAERN CC(C)(C)[C@@H](O)c1cccc(F)c1Cl ZINC000229476835 353270493 /nfs/dbraw/zinc/27/04/93/353270493.db2.gz MUYBHCGRJXZKBS-JTQLQIEISA-N 0 0 216.683 3.559 10 0 BHAERN CC(C)(C)[C@H](O)c1cccc(F)c1Cl ZINC000229476847 353270485 /nfs/dbraw/zinc/27/04/85/353270485.db2.gz MUYBHCGRJXZKBS-SNVBAGLBSA-N 0 0 216.683 3.559 10 0 BHAERN Cc1ccc([C@@H](O)C(C)(C)C)cc1Cl ZINC000229477391 353270478 /nfs/dbraw/zinc/27/04/78/353270478.db2.gz QVPMTXXNBRRVIA-LLVKDONJSA-N 0 0 212.720 3.728 10 0 BHAERN Cc1ccc([C@H](O)C(C)(C)C)cc1Cl ZINC000229477399 353270525 /nfs/dbraw/zinc/27/05/25/353270525.db2.gz QVPMTXXNBRRVIA-NSHDSACASA-N 0 0 212.720 3.728 10 0 BHAERN Cc1cc([C@@H](O)C(C)(C)C)ccc1Cl ZINC000229477713 353270166 /nfs/dbraw/zinc/27/01/66/353270166.db2.gz PAPCJNAXSUAXDD-LLVKDONJSA-N 0 0 212.720 3.728 10 0 BHAERN Cc1cc([C@H](O)C(C)(C)C)ccc1Cl ZINC000229477722 353270650 /nfs/dbraw/zinc/27/06/50/353270650.db2.gz PAPCJNAXSUAXDD-NSHDSACASA-N 0 0 212.720 3.728 10 0 BHAERN Cc1cccc([C@@H](O)C(C)(C)C)c1Cl ZINC000229477756 345644686 /nfs/dbraw/zinc/64/46/86/345644686.db2.gz NWWSVQWVDDPNRI-LLVKDONJSA-N 0 0 212.720 3.728 10 0 BHAERN Cc1cccc([C@H](O)C(C)(C)C)c1Cl ZINC000229477767 345644938 /nfs/dbraw/zinc/64/49/38/345644938.db2.gz NWWSVQWVDDPNRI-NSHDSACASA-N 0 0 212.720 3.728 10 0 BHAERN Cc1ccc(Cl)cc1[C@@H](O)C(C)(C)C ZINC000229478302 353270589 /nfs/dbraw/zinc/27/05/89/353270589.db2.gz ROQDHXLALLXSIW-LLVKDONJSA-N 0 0 212.720 3.728 10 0 BHAERN Cc1ccc(Cl)cc1[C@H](O)C(C)(C)C ZINC000229478309 353270362 /nfs/dbraw/zinc/27/03/62/353270362.db2.gz ROQDHXLALLXSIW-NSHDSACASA-N 0 0 212.720 3.728 10 0 BHAERN CCC(CC)C(=O)c1cc(C)c(OC)cc1C ZINC000229506012 372159835 /nfs/dbraw/zinc/15/98/35/372159835.db2.gz WVTFAMDPVAHPLR-UHFFFAOYSA-N 0 0 234.339 3.931 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(C)c(OC)cc1C ZINC000229506232 372159995 /nfs/dbraw/zinc/15/99/95/372159995.db2.gz QFJYERGRNQGIQU-SNVBAGLBSA-N 0 0 234.339 3.931 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(C)c(OC)cc1C ZINC000229506242 372159776 /nfs/dbraw/zinc/15/97/76/372159776.db2.gz QFJYERGRNQGIQU-JTQLQIEISA-N 0 0 234.339 3.931 10 0 BHAERN CCC(C)(C)C(=O)c1cc(C)c(OC)cc1C ZINC000229510102 372159917 /nfs/dbraw/zinc/15/99/17/372159917.db2.gz DGQSGBYYLHOOSN-UHFFFAOYSA-N 0 0 234.339 3.931 10 0 BHAERN CCC1(Nc2nc(Cl)cs2)CCC1 ZINC000229511270 372159754 /nfs/dbraw/zinc/15/97/54/372159754.db2.gz ADXJZGVHEQPLIH-UHFFFAOYSA-N 0 0 216.737 3.541 10 0 BHAERN CCC1(Nc2ncc(Cl)cc2F)CCC1 ZINC000229512766 353392827 /nfs/dbraw/zinc/39/28/27/353392827.db2.gz RBGNSKWQFJYMCZ-UHFFFAOYSA-N 0 0 228.698 3.619 10 0 BHAERN Cc1ccc(Cl)c2nccc(Cl)c12 ZINC000229535538 372161223 /nfs/dbraw/zinc/16/12/23/372161223.db2.gz DRRNBDLPJKPNGH-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Nc1ncccc1-c1cccc(C2CCC2)c1 ZINC000229614470 487930306 /nfs/dbraw/zinc/93/03/06/487930306.db2.gz FENMXDUIHBBDGA-UHFFFAOYSA-N 0 0 224.307 3.598 10 0 BHAERN Nc1ccc(-c2cccc(C3CCC3)c2)cn1 ZINC000229614525 487930426 /nfs/dbraw/zinc/93/04/26/487930426.db2.gz OWHFMFLPXHGRIK-UHFFFAOYSA-N 0 0 224.307 3.598 10 0 BHAERN Cc1cc(N)ncc1-c1cccc(C2CCC2)c1 ZINC000229614592 487931606 /nfs/dbraw/zinc/93/16/06/487931606.db2.gz JRAYHEOOBUXGRR-UHFFFAOYSA-N 0 0 238.334 3.907 10 0 BHAERN Nc1cccnc1-c1cccc(C2CCC2)c1 ZINC000229614856 487931578 /nfs/dbraw/zinc/93/15/78/487931578.db2.gz WXPFPQDWCBVPPB-UHFFFAOYSA-N 0 0 224.307 3.598 10 0 BHAERN Nc1ccc(-c2cccc(C3CCC3)c2)nc1 ZINC000229614943 487931529 /nfs/dbraw/zinc/93/15/29/487931529.db2.gz BWMPMWJXKATASA-UHFFFAOYSA-N 0 0 224.307 3.598 10 0 BHAERN Cc1nc(N)ccc1-c1cccc(C2CCC2)c1 ZINC000229615440 487931483 /nfs/dbraw/zinc/93/14/83/487931483.db2.gz CGGMNJJDHUBGJI-UHFFFAOYSA-N 0 0 238.334 3.907 10 0 BHAERN O=Cc1cncc(-c2cccc(C3CCC3)c2)c1 ZINC000229616994 635476037 /nfs/dbraw/zinc/47/60/37/635476037.db2.gz SETOZIMMPYYSGU-UHFFFAOYSA-N 0 0 237.302 3.829 10 0 BHAERN O=Cc1cccc2ccn(Cc3ccccc3)c21 ZINC000229634105 372175920 /nfs/dbraw/zinc/17/59/20/372175920.db2.gz JLWHAFKUTFPEJL-UHFFFAOYSA-N 0 0 235.286 3.502 10 0 BHAERN CC[C@@H]1CCC[C@@]1(O)c1ccc(Cl)s1 ZINC000229698089 372182057 /nfs/dbraw/zinc/18/20/57/372182057.db2.gz PROFMUXMVOJSIN-KCJUWKMLSA-N 0 0 230.760 3.799 10 0 BHAERN CC[C@H]1CCC[C@@]1(O)c1ccc(Cl)s1 ZINC000229698095 372182516 /nfs/dbraw/zinc/18/25/16/372182516.db2.gz PROFMUXMVOJSIN-KWQFWETISA-N 0 0 230.760 3.799 10 0 BHAERN CC[C@@H]1CCC[C@]1(O)c1ccc(Cl)s1 ZINC000229698101 372182228 /nfs/dbraw/zinc/18/22/28/372182228.db2.gz PROFMUXMVOJSIN-LDYMZIIASA-N 0 0 230.760 3.799 10 0 BHAERN CC[C@H]1CCC[C@]1(O)c1ccc(Cl)s1 ZINC000229698109 372182856 /nfs/dbraw/zinc/18/28/56/372182856.db2.gz PROFMUXMVOJSIN-GZMMTYOYSA-N 0 0 230.760 3.799 10 0 BHAERN Clc1cc(N2CC[C@@H]3CCCC[C@@H]32)ccn1 ZINC000229721683 388799586 /nfs/dbraw/zinc/79/95/86/388799586.db2.gz MHRYROZMWYSWDW-JQWIXIFHSA-N 0 0 236.746 3.504 10 0 BHAERN Clc1cc(N2CC[C@H]3CCCC[C@@H]32)ccn1 ZINC000229721688 388799913 /nfs/dbraw/zinc/79/99/13/388799913.db2.gz MHRYROZMWYSWDW-PWSUYJOCSA-N 0 0 236.746 3.504 10 0 BHAERN O=C1CCCC[C@@H]1c1sccc1Cl ZINC000229825345 355421412 /nfs/dbraw/zinc/42/14/12/355421412.db2.gz IUQAVOBLWBHWMQ-ZETCQYMHSA-N 0 0 214.717 3.628 10 0 BHAERN O=C1CCCC[C@H]1c1sccc1Cl ZINC000229825352 355421361 /nfs/dbraw/zinc/42/13/61/355421361.db2.gz IUQAVOBLWBHWMQ-SSDOTTSWSA-N 0 0 214.717 3.628 10 0 BHAERN O=C1CC[C@H](c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000229827302 358407906 /nfs/dbraw/zinc/40/79/06/358407906.db2.gz LJBVYQKELRZZLZ-ZETCQYMHSA-N 0 0 246.203 3.681 10 0 BHAERN O=C1CCC[C@@H](c2sccc2Cl)C1 ZINC000229827534 355414276 /nfs/dbraw/zinc/41/42/76/355414276.db2.gz MURGNBGWKANGHR-SSDOTTSWSA-N 0 0 214.717 3.628 10 0 BHAERN O=C1CCC[C@H](c2sccc2Cl)C1 ZINC000229827541 355413968 /nfs/dbraw/zinc/41/39/68/355413968.db2.gz MURGNBGWKANGHR-ZETCQYMHSA-N 0 0 214.717 3.628 10 0 BHAERN C[C@@H]1CCC[C@@](O)(c2sccc2Cl)C1 ZINC000229922264 342855479 /nfs/dbraw/zinc/85/54/79/342855479.db2.gz LPXGOAZPCFCUBO-KCJUWKMLSA-N 0 0 230.760 3.799 10 0 BHAERN C[C@H]1CCC[C@@](O)(c2sccc2Cl)C1 ZINC000229922270 342855309 /nfs/dbraw/zinc/85/53/09/342855309.db2.gz LPXGOAZPCFCUBO-KWQFWETISA-N 0 0 230.760 3.799 10 0 BHAERN C[C@@H]1CCC[C@](O)(c2sccc2Cl)C1 ZINC000229922275 342855481 /nfs/dbraw/zinc/85/54/81/342855481.db2.gz LPXGOAZPCFCUBO-LDYMZIIASA-N 0 0 230.760 3.799 10 0 BHAERN C[C@H]1CCC[C@](O)(c2sccc2Cl)C1 ZINC000229922279 342855421 /nfs/dbraw/zinc/85/54/21/342855421.db2.gz LPXGOAZPCFCUBO-GZMMTYOYSA-N 0 0 230.760 3.799 10 0 BHAERN C[C@@H]1CCCC[C@@]1(O)c1sccc1Cl ZINC000229922378 342855451 /nfs/dbraw/zinc/85/54/51/342855451.db2.gz OHIMRWBKUBJUMA-KCJUWKMLSA-N 0 0 230.760 3.799 10 0 BHAERN C[C@H]1CCCC[C@@]1(O)c1sccc1Cl ZINC000229922382 342855465 /nfs/dbraw/zinc/85/54/65/342855465.db2.gz OHIMRWBKUBJUMA-KWQFWETISA-N 0 0 230.760 3.799 10 0 BHAERN C[C@@H]1CCCC[C@]1(O)c1sccc1Cl ZINC000229922387 342855467 /nfs/dbraw/zinc/85/54/67/342855467.db2.gz OHIMRWBKUBJUMA-LDYMZIIASA-N 0 0 230.760 3.799 10 0 BHAERN C[C@H]1CCCC[C@]1(O)c1sccc1Cl ZINC000229922392 342855436 /nfs/dbraw/zinc/85/54/36/342855436.db2.gz OHIMRWBKUBJUMA-GZMMTYOYSA-N 0 0 230.760 3.799 10 0 BHAERN C[C@@](O)(c1cccs1)c1sccc1Cl ZINC000229923194 342855332 /nfs/dbraw/zinc/85/53/32/342855332.db2.gz AUSSNLGCHDPSNE-SNVBAGLBSA-N 0 0 244.768 3.719 10 0 BHAERN C[C@](O)(c1cccs1)c1sccc1Cl ZINC000229923201 346480416 /nfs/dbraw/zinc/48/04/16/346480416.db2.gz AUSSNLGCHDPSNE-JTQLQIEISA-N 0 0 244.768 3.719 10 0 BHAERN CC(C)C1CC(O)(c2sccc2Cl)C1 ZINC000229926419 342855629 /nfs/dbraw/zinc/85/56/29/342855629.db2.gz MOTNJINDDKPUAS-UHFFFAOYSA-N 0 0 230.760 3.655 10 0 BHAERN Nc1ccccc1-c1sccc1Cl ZINC000229945697 346483563 /nfs/dbraw/zinc/48/35/63/346483563.db2.gz BCQDMYCWODTJIR-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Nc1ccc(-c2sccc2Cl)cc1 ZINC000229945699 342858027 /nfs/dbraw/zinc/85/80/27/342858027.db2.gz MNRKPVLOVOWKOE-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Nc1ccc(F)c(-c2sccc2Cl)c1 ZINC000229945734 342858049 /nfs/dbraw/zinc/85/80/49/342858049.db2.gz FCIISTFYZSAIMY-UHFFFAOYSA-N 0 0 227.691 3.790 10 0 BHAERN Nc1cccc(-c2sccc2Cl)c1 ZINC000229945740 342857993 /nfs/dbraw/zinc/85/79/93/342857993.db2.gz IYCOFXPIFFPNDM-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN O=Cc1ccc(-c2sccc2Cl)cc1 ZINC000229946020 342857981 /nfs/dbraw/zinc/85/79/81/342857981.db2.gz LWSWRKYCTRFWMC-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN O=Cc1cccc(-c2sccc2Cl)c1 ZINC000229946092 342858084 /nfs/dbraw/zinc/85/80/84/342858084.db2.gz IMEVRVXJEUAXBB-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN O[C@@H]1CCCC[C@@H](c2sccc2Cl)C1 ZINC000229949584 342858326 /nfs/dbraw/zinc/85/83/26/342858326.db2.gz LOTPYCDLYAZRAA-RKDXNWHRSA-N 0 0 230.760 3.810 10 0 BHAERN O[C@H]1CCCC[C@@H](c2sccc2Cl)C1 ZINC000229949590 342858329 /nfs/dbraw/zinc/85/83/29/342858329.db2.gz LOTPYCDLYAZRAA-BDAKNGLRSA-N 0 0 230.760 3.810 10 0 BHAERN O[C@@H]1CCCC[C@H](c2sccc2Cl)C1 ZINC000229949595 342858353 /nfs/dbraw/zinc/85/83/53/342858353.db2.gz LOTPYCDLYAZRAA-DTWKUNHWSA-N 0 0 230.760 3.810 10 0 BHAERN O[C@H]1CCCC[C@H](c2sccc2Cl)C1 ZINC000229949600 342858338 /nfs/dbraw/zinc/85/83/38/342858338.db2.gz LOTPYCDLYAZRAA-IUCAKERBSA-N 0 0 230.760 3.810 10 0 BHAERN Oc1ccc(F)cc1-c1sccc1Cl ZINC000229955624 342859896 /nfs/dbraw/zinc/85/98/96/342859896.db2.gz IAWNWABFCLBINZ-UHFFFAOYSA-N 0 0 228.675 3.913 10 0 BHAERN Oc1cccc(-c2sccc2Cl)c1 ZINC000229955656 342859862 /nfs/dbraw/zinc/85/98/62/342859862.db2.gz DQKAENIJUBXDAB-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Oc1ccc(-c2sccc2Cl)cc1 ZINC000229955666 342859882 /nfs/dbraw/zinc/85/98/82/342859882.db2.gz BECZBKRMYGTDAS-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Oc1ccccc1-c1sccc1Cl ZINC000229955674 342859894 /nfs/dbraw/zinc/85/98/94/342859894.db2.gz QHZPQLJUWMQPNG-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN C[C@@]1([C@@H]([NH3+])c2sccc2Cl)CCCS1 ZINC000229960358 342860347 /nfs/dbraw/zinc/86/03/47/342860347.db2.gz COQIUUSYPAAWSC-UWVGGRQHSA-N 0 0 247.816 3.687 10 0 BHAERN C[C@]1([C@@H]([NH3+])c2sccc2Cl)CCCS1 ZINC000229960360 342860202 /nfs/dbraw/zinc/86/02/02/342860202.db2.gz COQIUUSYPAAWSC-VHSXEESVSA-N 0 0 247.816 3.687 10 0 BHAERN C[C@@]1([C@H]([NH3+])c2sccc2Cl)CCCS1 ZINC000229960365 342860326 /nfs/dbraw/zinc/86/03/26/342860326.db2.gz COQIUUSYPAAWSC-ZJUUUORDSA-N 0 0 247.816 3.687 10 0 BHAERN C[C@]1([C@H]([NH3+])c2sccc2Cl)CCCS1 ZINC000229960369 342860089 /nfs/dbraw/zinc/86/00/89/342860089.db2.gz COQIUUSYPAAWSC-NXEZZACHSA-N 0 0 247.816 3.687 10 0 BHAERN C[C@@]1([C@@H](O)c2sccc2Cl)CCCS1 ZINC000229964797 342859297 /nfs/dbraw/zinc/85/92/97/342859297.db2.gz REWXNNIPLZLDQP-UWVGGRQHSA-N 0 0 248.800 3.721 10 0 BHAERN C[C@]1([C@@H](O)c2sccc2Cl)CCCS1 ZINC000229964801 342859424 /nfs/dbraw/zinc/85/94/24/342859424.db2.gz REWXNNIPLZLDQP-VHSXEESVSA-N 0 0 248.800 3.721 10 0 BHAERN C[C@@]1([C@H](O)c2sccc2Cl)CCCS1 ZINC000229964807 342859413 /nfs/dbraw/zinc/85/94/13/342859413.db2.gz REWXNNIPLZLDQP-ZJUUUORDSA-N 0 0 248.800 3.721 10 0 BHAERN C[C@]1([C@H](O)c2sccc2Cl)CCCS1 ZINC000229964813 342859438 /nfs/dbraw/zinc/85/94/38/342859438.db2.gz REWXNNIPLZLDQP-NXEZZACHSA-N 0 0 248.800 3.721 10 0 BHAERN S=c1cccc(-c2sccc2Cl)[nH]1 ZINC000229973472 342861956 /nfs/dbraw/zinc/86/19/56/342861956.db2.gz JACCVEDLFILGLM-UHFFFAOYSA-N 0 0 227.741 3.752 10 0 BHAERN Cc1ccc(N)c(-c2ccc(OC3CC3)cc2)c1 ZINC000230000397 641003122 /nfs/dbraw/zinc/00/31/22/641003122.db2.gz SLHOGXDEMCAKID-UHFFFAOYSA-N 0 0 239.318 3.785 10 0 BHAERN Cc1ccc(-c2ccc(OC3CC3)cc2)cc1N ZINC000230000447 388873522 /nfs/dbraw/zinc/87/35/22/388873522.db2.gz RXVXUWSZRQOHOQ-UHFFFAOYSA-N 0 0 239.318 3.785 10 0 BHAERN Cc1ccc(N)cc1-c1ccc(OC2CC2)cc1 ZINC000230000521 641003520 /nfs/dbraw/zinc/00/35/20/641003520.db2.gz WVOQOLQVCFWCTN-UHFFFAOYSA-N 0 0 239.318 3.785 10 0 BHAERN Cc1ccc(-c2ccc(OC3CC3)cc2)c(N)c1 ZINC000230000588 388872860 /nfs/dbraw/zinc/87/28/60/388872860.db2.gz XOGWZBXDRFIDTI-UHFFFAOYSA-N 0 0 239.318 3.785 10 0 BHAERN Cc1cc(N)ccc1-c1ccc(OC2CC2)cc1 ZINC000230000692 324989789 /nfs/dbraw/zinc/98/97/89/324989789.db2.gz MDFACICAGMQPDA-UHFFFAOYSA-N 0 0 239.318 3.785 10 0 BHAERN Cc1cc(-c2ccc(OC3CC3)cc2)ccc1N ZINC000230000718 324989760 /nfs/dbraw/zinc/98/97/60/324989760.db2.gz MBIHZNLFHVZHRG-UHFFFAOYSA-N 0 0 239.318 3.785 10 0 BHAERN O=Cc1cccc(-c2ccc(OC3CC3)cc2)c1 ZINC000230000766 641002885 /nfs/dbraw/zinc/00/28/85/641002885.db2.gz DZVWWHVIEONHME-UHFFFAOYSA-N 0 0 238.286 3.707 10 0 BHAERN O=Cc1ccccc1-c1ccc(OC2CC2)cc1 ZINC000230000799 635478500 /nfs/dbraw/zinc/47/85/00/635478500.db2.gz XIEKXZZHQUURRU-UHFFFAOYSA-N 0 0 238.286 3.707 10 0 BHAERN Fc1cc(Cl)c2c(Cl)ccnc2c1 ZINC000230055321 371643355 /nfs/dbraw/zinc/64/33/55/371643355.db2.gz URSURTVFJOBWEK-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN CCCC(=[NH2+])Nc1cc(F)cc(Cl)c1 ZINC000230059999 353418579 /nfs/dbraw/zinc/41/85/79/353418579.db2.gz BISNSJKGGPVBNT-UHFFFAOYSA-N 0 0 214.671 3.668 10 0 BHAERN Cc1cc2c(Cl)cc(F)cc2nc1Cl ZINC000230060030 371647309 /nfs/dbraw/zinc/64/73/09/371647309.db2.gz RQFXKIKIBHXCOI-UHFFFAOYSA-N 0 0 230.069 3.989 10 0 BHAERN Fc1cc(Cl)c2ccc(Cl)nc2c1 ZINC000230060430 371647363 /nfs/dbraw/zinc/64/73/63/371647363.db2.gz HKICXONQSJLIDW-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN C[C@@H]1CCC=C2CC[C@H](C(C)(C)O)C[C@@]21C ZINC000230080207 571852662 /nfs/dbraw/zinc/85/26/62/571852662.db2.gz MQWIFDHBNGIVPO-OSAQELSMSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN Nc1ccc(SCOCc2ccccc2)cc1 ZINC000230080594 371828185 /nfs/dbraw/zinc/82/81/85/371828185.db2.gz FLOGKKICJJXBAC-UHFFFAOYSA-N 0 0 245.347 3.535 10 0 BHAERN Oc1cccc(SCOCc2ccccc2)c1 ZINC000230084875 371830589 /nfs/dbraw/zinc/83/05/89/371830589.db2.gz TXIFMXCRRSTARS-UHFFFAOYSA-N 0 0 246.331 3.659 10 0 BHAERN CC1=CC[C@]2(C)CC[C@@H](C(C)C)[C@@]2(O)CC1 ZINC000230086290 571853314 /nfs/dbraw/zinc/85/33/14/571853314.db2.gz XZYQCFABZDVOPN-ZNMIVQPWSA-N 0 0 222.372 3.920 10 0 endogenous,in-man BHAERN Cc1cccc(OCOCc2ccccc2)c1 ZINC000230089312 371830072 /nfs/dbraw/zinc/83/00/72/371830072.db2.gz OMXYBWARHBLWRE-UHFFFAOYSA-N 0 0 228.291 3.548 10 0 BHAERN Cc1cc(C)c2ccc(Br)nc2c1 ZINC000230091359 350594486 /nfs/dbraw/zinc/59/44/86/350594486.db2.gz HVBQITVDMUOBCA-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Cc1ccc(C)c2nc(Br)ccc12 ZINC000230091478 371844152 /nfs/dbraw/zinc/84/41/52/371844152.db2.gz NJMNSAUGUPKXKF-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Cc1ccc2ccc(Br)nc2c1C ZINC000230091532 344100503 /nfs/dbraw/zinc/10/05/03/344100503.db2.gz HCWHOJNSEQNPMN-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Cc1cc(C)c2nc(Br)ccc2c1 ZINC000230092422 344100984 /nfs/dbraw/zinc/10/09/84/344100984.db2.gz FXVFIAVMAHVXDW-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN CCc1ccc2nc(Br)ccc2c1 ZINC000230092431 371846063 /nfs/dbraw/zinc/84/60/63/371846063.db2.gz CYVSCRIDAMOSNE-UHFFFAOYSA-N 0 0 236.112 3.560 10 0 BHAERN CCc1cccc2ccc(Br)nc21 ZINC000230092469 350594688 /nfs/dbraw/zinc/59/46/88/350594688.db2.gz XGBCARAOZDHCOR-UHFFFAOYSA-N 0 0 236.112 3.560 10 0 BHAERN Fc1cc(Cl)ccc1-c1nc(Cl)ns1 ZINC000230112429 344153017 /nfs/dbraw/zinc/15/30/17/344153017.db2.gz BBDIHMUAQMEDGK-UHFFFAOYSA-N 0 0 249.097 3.651 10 0 BHAERN Clc1nsc(-c2ccccc2Cl)n1 ZINC000230112444 353467124 /nfs/dbraw/zinc/46/71/24/353467124.db2.gz VNSISHZMFLIUFZ-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN CC[C@@H](c1nc(Cl)ns1)c1ccccc1 ZINC000230112495 371852368 /nfs/dbraw/zinc/85/23/68/371852368.db2.gz JMBWYTYEZZDTRJ-SECBINFHSA-N 0 0 238.743 3.733 10 0 BHAERN CC[C@H](c1nc(Cl)ns1)c1ccccc1 ZINC000230112499 371852181 /nfs/dbraw/zinc/85/21/81/371852181.db2.gz JMBWYTYEZZDTRJ-VIFPVBQESA-N 0 0 238.743 3.733 10 0 BHAERN Cc1cc(-c2nc(Cl)ns2)sc1C ZINC000230112691 371852611 /nfs/dbraw/zinc/85/26/11/371852611.db2.gz HRUWODHLUMUEPP-UHFFFAOYSA-N 0 0 230.745 3.537 10 0 BHAERN Clc1nsc(C2CCCCCC2)n1 ZINC000230112999 371854084 /nfs/dbraw/zinc/85/40/84/371854084.db2.gz VTOKNASFWOZHKL-UHFFFAOYSA-N 0 0 216.737 3.629 10 0 BHAERN Clc1ccc(-c2nc(Cl)ns2)s1 ZINC000230113438 371852582 /nfs/dbraw/zinc/85/25/82/371852582.db2.gz SFYONKICUDWGQZ-UHFFFAOYSA-N 0 0 237.136 3.573 10 0 BHAERN Clc1nsc(-c2ccc(Cl)cc2)n1 ZINC000230113626 371853988 /nfs/dbraw/zinc/85/39/88/371853988.db2.gz PBJLGXQALIERET-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN Clc1nsc(-c2cccc(Cl)c2)n1 ZINC000230113913 371854110 /nfs/dbraw/zinc/85/41/10/371854110.db2.gz YHPPTPGPFXPMDY-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN Clc1nsc(-c2sccc2Cl)n1 ZINC000230114054 371854105 /nfs/dbraw/zinc/85/41/05/371854105.db2.gz YSSBPMMRCZTBFC-UHFFFAOYSA-N 0 0 237.136 3.573 10 0 BHAERN Cc1cc(Br)cc(NC2CCC2)c1 ZINC000230228673 371874632 /nfs/dbraw/zinc/87/46/32/371874632.db2.gz HOVMSRCLCSZWLI-UHFFFAOYSA-N 0 0 240.144 3.722 10 0 BHAERN Brc1ccc2[nH]cc(C3CC3)c2c1 ZINC000230278943 166099551 /nfs/dbraw/zinc/09/95/51/166099551.db2.gz WTGHVCBUFAOGSP-UHFFFAOYSA-N 0 0 236.112 3.808 10 0 BHAERN CCc1c[nH]c2c1cc(F)cc2Br ZINC000230279014 353484065 /nfs/dbraw/zinc/48/40/65/353484065.db2.gz PMWADUVPZWTPJQ-UHFFFAOYSA-N 0 0 242.091 3.632 10 0 BHAERN CC[C@@]1(C)CNc2ccc(Br)cc21 ZINC000230279097 323946461 /nfs/dbraw/zinc/94/64/61/323946461.db2.gz NVPXWFKSFAOHSW-NSHDSACASA-N 0 0 240.144 3.542 10 0 BHAERN CC[C@]1(C)CNc2ccc(Br)cc21 ZINC000230279101 387157851 /nfs/dbraw/zinc/15/78/51/387157851.db2.gz NVPXWFKSFAOHSW-LLVKDONJSA-N 0 0 240.144 3.542 10 0 BHAERN CC[C@@H]1CCC(=O)[C@@H]([C@@H]2C=CCCC2)C1 ZINC000230360866 344543390 /nfs/dbraw/zinc/54/33/90/344543390.db2.gz LIAAQQZQVDJLTO-JHJVBQTASA-N 0 0 206.329 3.738 10 0 BHAERN CC[C@@H]1CCC(=O)[C@H]([C@@H]2C=CCCC2)C1 ZINC000230360872 344543228 /nfs/dbraw/zinc/54/32/28/344543228.db2.gz LIAAQQZQVDJLTO-UPJWGTAASA-N 0 0 206.329 3.738 10 0 BHAERN c1ccc2sc(SC3CC3)nc2c1 ZINC000230470216 344730063 /nfs/dbraw/zinc/73/00/63/344730063.db2.gz CDNKEJDACOAVEG-UHFFFAOYSA-N 0 0 207.323 3.551 10 0 BHAERN CCCP(=O)(CCC)C(C)(C)CC(C)=O ZINC000230476576 350602724 /nfs/dbraw/zinc/60/27/24/350602724.db2.gz RQUTVHMMOVQAFM-UHFFFAOYSA-N 0 0 232.304 3.927 10 0 BHAERN C[C@@H]1CC[C@@H](CNc2ccnc(Cl)c2)C1 ZINC000230480981 344737333 /nfs/dbraw/zinc/73/73/33/344737333.db2.gz ZTXRIWYWHUYCNL-NXEZZACHSA-N 0 0 224.735 3.583 10 0 BHAERN C[C@H]1CC[C@@H](CNc2ccnc(Cl)c2)C1 ZINC000230481017 344737282 /nfs/dbraw/zinc/73/72/82/344737282.db2.gz ZTXRIWYWHUYCNL-VHSXEESVSA-N 0 0 224.735 3.583 10 0 BHAERN C[C@@H]1CC[C@H](CNc2ccnc(Cl)c2)C1 ZINC000230481048 344737209 /nfs/dbraw/zinc/73/72/09/344737209.db2.gz ZTXRIWYWHUYCNL-ZJUUUORDSA-N 0 0 224.735 3.583 10 0 BHAERN C[C@H]1CC[C@H](CNc2ccnc(Cl)c2)C1 ZINC000230481086 344737486 /nfs/dbraw/zinc/73/74/86/344737486.db2.gz ZTXRIWYWHUYCNL-UWVGGRQHSA-N 0 0 224.735 3.583 10 0 BHAERN Oc1ccc2c(c1)CCC=C2Cc1ccccc1 ZINC000230492044 368369682 /nfs/dbraw/zinc/36/96/82/368369682.db2.gz IPOINTFIOSJICY-UHFFFAOYSA-N 0 0 236.314 3.965 10 0 BHAERN Cc1cc(C)c(-c2ccc(CO)cc2)c(C)c1 ZINC000230514571 348308278 /nfs/dbraw/zinc/30/82/78/348308278.db2.gz UWNUSQLNRPZDAT-UHFFFAOYSA-N 0 0 226.319 3.771 10 0 BHAERN Cc1ccc(Cl)c2nc(Cl)ccc12 ZINC000230561845 345745200 /nfs/dbraw/zinc/74/52/00/345745200.db2.gz QAGQNICUZZDDMB-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Cc1cccc(OC(F)(F)F)c1C(F)(F)F ZINC000230564448 345744822 /nfs/dbraw/zinc/74/48/22/345744822.db2.gz LLAUEEASUZYMCB-UHFFFAOYSA-N 0 0 244.134 3.912 10 0 BHAERN CCC[C@@H]1CCCCN1c1ccnc(Cl)c1 ZINC000230604222 363314573 /nfs/dbraw/zinc/31/45/73/363314573.db2.gz CRJWFJXHEHYENP-LLVKDONJSA-N 0 0 238.762 3.894 10 0 BHAERN CCC[C@H]1CCCCN1c1ccnc(Cl)c1 ZINC000230604243 363314410 /nfs/dbraw/zinc/31/44/10/363314410.db2.gz CRJWFJXHEHYENP-NSHDSACASA-N 0 0 238.762 3.894 10 0 BHAERN CC(=O)N(c1ccccc1)c1cccc(C)c1 ZINC000230630032 398320954 /nfs/dbraw/zinc/32/09/54/398320954.db2.gz YRJGDYXVGSTRFX-UHFFFAOYSA-N 0 0 225.291 3.680 10 0 BHAERN Cc1cnc([C@@H](C)N[C@@H](C)c2cccc(C)c2)o1 ZINC000230647081 357544179 /nfs/dbraw/zinc/54/41/79/357544179.db2.gz SVBLGZODBZFJKG-QWHCGFSZSA-N 0 0 244.338 3.703 10 0 BHAERN Cc1cnc([C@H](C)N[C@@H](C)c2cccc(C)c2)o1 ZINC000230647086 357543963 /nfs/dbraw/zinc/54/39/63/357543963.db2.gz SVBLGZODBZFJKG-STQMWFEESA-N 0 0 244.338 3.703 10 0 BHAERN Cc1cnc([C@@H](C)N[C@H](C)c2cccc(C)c2)o1 ZINC000230647091 357544751 /nfs/dbraw/zinc/54/47/51/357544751.db2.gz SVBLGZODBZFJKG-CHWSQXEVSA-N 0 0 244.338 3.703 10 0 BHAERN Cc1cnc([C@H](C)N[C@H](C)c2cccc(C)c2)o1 ZINC000230647098 357544778 /nfs/dbraw/zinc/54/47/78/357544778.db2.gz SVBLGZODBZFJKG-OLZOCXBDSA-N 0 0 244.338 3.703 10 0 BHAERN CCCOCc1cc(F)ccc1Br ZINC000230651928 346652810 /nfs/dbraw/zinc/65/28/10/346652810.db2.gz ADTQNBLCGVLSJB-UHFFFAOYSA-N 0 0 247.107 3.515 10 0 BHAERN Cc1cccc([C@@H](C)NCC(F)(F)C(F)F)c1 ZINC000230678065 641080293 /nfs/dbraw/zinc/08/02/93/641080293.db2.gz PHOZOVHVCLIWLZ-SECBINFHSA-N 0 0 249.251 3.546 10 0 BHAERN Cc1cccc([C@H](C)NCC(F)(F)C(F)F)c1 ZINC000230678069 641079280 /nfs/dbraw/zinc/07/92/80/641079280.db2.gz PHOZOVHVCLIWLZ-VIFPVBQESA-N 0 0 249.251 3.546 10 0 BHAERN Cc1ccc([C@@H]2CCCC[C@@H]2C)cc1N ZINC000230827842 350608415 /nfs/dbraw/zinc/60/84/15/350608415.db2.gz AORGFKHCGBMDKX-GXFFZTMASA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@H]2CCCC[C@@H]2C)cc1N ZINC000230827869 643635914 /nfs/dbraw/zinc/63/59/14/643635914.db2.gz AORGFKHCGBMDKX-GWCFXTLKSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@@H]2CCCC[C@H]2C)cc1N ZINC000230827904 643636031 /nfs/dbraw/zinc/63/60/31/643636031.db2.gz AORGFKHCGBMDKX-ZWNOBZJWSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@H]2CCCC[C@H]2C)cc1N ZINC000230827942 643635961 /nfs/dbraw/zinc/63/59/61/643635961.db2.gz AORGFKHCGBMDKX-MFKMUULPSA-N 0 0 203.329 3.871 10 0 BHAERN CCC[C@@H](C)Nc1ncc(Br)s1 ZINC000230894764 353550646 /nfs/dbraw/zinc/55/06/46/353550646.db2.gz GQNCXGGBCYOSIF-ZCFIWIBFSA-N 0 0 249.177 3.506 10 0 BHAERN CCC[C@H](C)Nc1ncc(Br)s1 ZINC000230894767 371972952 /nfs/dbraw/zinc/97/29/52/371972952.db2.gz GQNCXGGBCYOSIF-LURJTMIESA-N 0 0 249.177 3.506 10 0 BHAERN CC[C@@H](Nc1nccc2occc21)C(C)C ZINC000230901058 357578991 /nfs/dbraw/zinc/57/89/91/357578991.db2.gz IWQRUIMVRNWSOI-LLVKDONJSA-N 0 0 218.300 3.674 10 0 BHAERN CC[C@H](Nc1nccc2occc21)C(C)C ZINC000230901063 357579051 /nfs/dbraw/zinc/57/90/51/357579051.db2.gz IWQRUIMVRNWSOI-NSHDSACASA-N 0 0 218.300 3.674 10 0 BHAERN CCC(C)(CC)Nc1ncc(Cl)cc1F ZINC000230961753 350158479 /nfs/dbraw/zinc/15/84/79/350158479.db2.gz NFNMJQRMXRETSE-UHFFFAOYSA-N 0 0 230.714 3.865 10 0 BHAERN CCC(C)(CC)Nc1nc(C)c(C)s1 ZINC000230962155 350158423 /nfs/dbraw/zinc/15/84/23/350158423.db2.gz CAGBZIDTWFOUDN-UHFFFAOYSA-N 0 0 212.362 3.751 10 0 BHAERN CC(C)(C)C(=O)Cc1cc(Cl)ccc1F ZINC000231115080 358917950 /nfs/dbraw/zinc/91/79/50/358917950.db2.gz GGJOPBLNJNEIBV-UHFFFAOYSA-N 0 0 228.694 3.637 10 0 BHAERN CC(C)CC(=O)c1cc(F)c(F)cc1Cl ZINC000231292094 359704200 /nfs/dbraw/zinc/70/42/00/359704200.db2.gz LFJOVYNNJSHDHT-UHFFFAOYSA-N 0 0 232.657 3.847 10 0 BHAERN O=C(c1cc(F)c(F)cc1Cl)C1CCC1 ZINC000231292529 359706096 /nfs/dbraw/zinc/70/60/96/359706096.db2.gz CTHHVWWWXKNTMJ-UHFFFAOYSA-N 0 0 230.641 3.601 10 0 BHAERN O=C(CC1CC1)c1cc(F)c(F)cc1Cl ZINC000231292954 359706112 /nfs/dbraw/zinc/70/61/12/359706112.db2.gz AKJQGHVSUHXMGO-UHFFFAOYSA-N 0 0 230.641 3.601 10 0 BHAERN CC[C@@H](C)C(=O)c1cc(F)c(F)cc1Cl ZINC000231293032 359706042 /nfs/dbraw/zinc/70/60/42/359706042.db2.gz LYJFTSLPRMFQFZ-ZCFIWIBFSA-N 0 0 232.657 3.847 10 0 BHAERN CC[C@H](C)C(=O)c1cc(F)c(F)cc1Cl ZINC000231293034 359706144 /nfs/dbraw/zinc/70/61/44/359706144.db2.gz LYJFTSLPRMFQFZ-LURJTMIESA-N 0 0 232.657 3.847 10 0 BHAERN CC(C)(C)C(=O)c1cc(F)c(F)cc1Cl ZINC000231293061 359706201 /nfs/dbraw/zinc/70/62/01/359706201.db2.gz BIJPQWBCXSCOKI-UHFFFAOYSA-N 0 0 232.657 3.847 10 0 BHAERN COc1cccc(-c2cccs2)c1F ZINC000231385336 641166348 /nfs/dbraw/zinc/16/63/48/641166348.db2.gz ZCHHPAUTWAYSRL-UHFFFAOYSA-N 0 0 208.257 3.563 10 0 BHAERN C/C=C/COP(=O)(OC(C)C)OC(C)C ZINC000231488114 368369456 /nfs/dbraw/zinc/36/94/56/368369456.db2.gz RGHSFCJPWQPHBL-VOTSOKGWSA-N 0 0 236.248 3.537 10 0 BHAERN Fc1cc(F)c(NC/C=C/Cl)c(Cl)c1 ZINC000231634364 350984382 /nfs/dbraw/zinc/98/43/82/350984382.db2.gz QGJVKODISCTFMX-OWOJBTEDSA-N 0 0 238.064 3.783 10 0 BHAERN CCC[C@@H]1C[C@@H]1Nc1ccc(C(F)(F)F)cn1 ZINC000231663213 135626402 /nfs/dbraw/zinc/62/64/02/135626402.db2.gz ZGHNUSPTYIGXAG-SCZZXKLOSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@H]1C[C@@H]1Nc1ccc(C(F)(F)F)cn1 ZINC000231663215 353641264 /nfs/dbraw/zinc/64/12/64/353641264.db2.gz ZGHNUSPTYIGXAG-WPRPVWTQSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@@H]1C[C@H]1Nc1ccc(C(F)(F)F)cn1 ZINC000231663217 535494282 /nfs/dbraw/zinc/49/42/82/535494282.db2.gz ZGHNUSPTYIGXAG-PSASIEDQSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@H]1C[C@H]1Nc1ccc(C(F)(F)F)cn1 ZINC000231663219 353641230 /nfs/dbraw/zinc/64/12/30/353641230.db2.gz ZGHNUSPTYIGXAG-WCBMZHEXSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@@H]1C[C@@H]1Nc1cccc(C(F)(F)F)n1 ZINC000231663280 353641725 /nfs/dbraw/zinc/64/17/25/353641725.db2.gz IOGXZJGBXUENEK-BDAKNGLRSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@H]1C[C@@H]1Nc1cccc(C(F)(F)F)n1 ZINC000231663284 353641453 /nfs/dbraw/zinc/64/14/53/353641453.db2.gz IOGXZJGBXUENEK-IUCAKERBSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@@H]1C[C@H]1Nc1cccc(C(F)(F)F)n1 ZINC000231663288 353641718 /nfs/dbraw/zinc/64/17/18/353641718.db2.gz IOGXZJGBXUENEK-RKDXNWHRSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@H]1C[C@H]1Nc1cccc(C(F)(F)F)n1 ZINC000231663293 135625825 /nfs/dbraw/zinc/62/58/25/135625825.db2.gz IOGXZJGBXUENEK-DTWKUNHWSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@@H]1C[C@@H]1Nc1ncccc1C(F)(F)F ZINC000231663732 353641329 /nfs/dbraw/zinc/64/13/29/353641329.db2.gz XPEVIYZQIZOUHI-SCZZXKLOSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@H]1C[C@@H]1Nc1ncccc1C(F)(F)F ZINC000231663735 353641225 /nfs/dbraw/zinc/64/12/25/353641225.db2.gz XPEVIYZQIZOUHI-WPRPVWTQSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@@H]1C[C@H]1Nc1ncccc1C(F)(F)F ZINC000231663738 535494647 /nfs/dbraw/zinc/49/46/47/535494647.db2.gz XPEVIYZQIZOUHI-PSASIEDQSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@H]1C[C@H]1Nc1ncccc1C(F)(F)F ZINC000231663742 135627938 /nfs/dbraw/zinc/62/79/38/135627938.db2.gz XPEVIYZQIZOUHI-WCBMZHEXSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@@H]1C[C@H]1[NH2+]Cc1ccccc1OC(C)C ZINC000231672906 388838907 /nfs/dbraw/zinc/83/89/07/388838907.db2.gz VMEOONZVJZZKOL-UKRRQHHQSA-N 0 0 247.382 3.752 10 0 BHAERN CCC[C@@H]1C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000231674995 388839651 /nfs/dbraw/zinc/83/96/51/388839651.db2.gz MUPIGNZLLHQYPN-BXUZGUMPSA-N 0 0 229.323 3.711 10 0 BHAERN CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000231675947 388839601 /nfs/dbraw/zinc/83/96/01/388839601.db2.gz QPJLSTUMHAUIFZ-UNJBNNCHSA-N 0 0 233.355 3.681 10 0 BHAERN Cc1ccc(C(=O)CC(C)C)c(F)c1F ZINC000231725472 372073401 /nfs/dbraw/zinc/07/34/01/372073401.db2.gz RVZVLZFDILMQIK-UHFFFAOYSA-N 0 0 212.239 3.502 10 0 BHAERN Cc1ccc(C(=O)C(C)(C)C)c(F)c1F ZINC000231725510 372073483 /nfs/dbraw/zinc/07/34/83/372073483.db2.gz LETPXPCQRITRJA-UHFFFAOYSA-N 0 0 212.239 3.502 10 0 BHAERN CC1CC(Nc2cccc(Br)c2)C1 ZINC000231789425 351341689 /nfs/dbraw/zinc/34/16/89/351341689.db2.gz WXASNEZTYPTTNZ-UHFFFAOYSA-N 0 0 240.144 3.660 10 0 BHAERN CC1CC(Nc2ccc(Br)cc2)C1 ZINC000231790045 351341741 /nfs/dbraw/zinc/34/17/41/351341741.db2.gz UHBHHDFIECKQCE-UHFFFAOYSA-N 0 0 240.144 3.660 10 0 BHAERN CC1CC(Nc2ccccc2Br)C1 ZINC000231790141 351341262 /nfs/dbraw/zinc/34/12/62/351341262.db2.gz DNFANBDWHNGNMP-UHFFFAOYSA-N 0 0 240.144 3.660 10 0 BHAERN CC1CC(Nc2cc(F)cc(Cl)c2)C1 ZINC000231790268 351348755 /nfs/dbraw/zinc/34/87/55/351348755.db2.gz DAAGXSVLHJMLJL-UHFFFAOYSA-N 0 0 213.683 3.690 10 0 BHAERN CC[C@@H](C)Nc1cc(F)ccc1Cl ZINC000231814802 351377674 /nfs/dbraw/zinc/37/76/74/351377674.db2.gz XQKDQXYKBYFJMH-SSDOTTSWSA-N 0 0 201.672 3.690 10 0 BHAERN CC[C@H](C)Nc1cc(F)ccc1Cl ZINC000231814805 351378093 /nfs/dbraw/zinc/37/80/93/351378093.db2.gz XQKDQXYKBYFJMH-ZETCQYMHSA-N 0 0 201.672 3.690 10 0 BHAERN CC(C)C(=[NH2+])Nc1cc(F)ccc1Cl ZINC000231835383 353656891 /nfs/dbraw/zinc/65/68/91/353656891.db2.gz BVFBOVYUMFVFOW-UHFFFAOYSA-N 0 0 214.671 3.524 10 0 BHAERN Fc1ccc(Cl)c2nc(Cl)ccc12 ZINC000231835597 351399947 /nfs/dbraw/zinc/39/99/47/351399947.db2.gz GIQJLMBKUKVTBW-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN Cc1ccc(C(=O)CC(F)(F)F)cc1Cl ZINC000231983771 351494169 /nfs/dbraw/zinc/49/41/69/351494169.db2.gz AJTIKVCYSWOHLU-UHFFFAOYSA-N 0 0 236.620 3.784 10 0 BHAERN Cc1ccc(C(=O)C2(C)CC2)cc1Cl ZINC000231984381 351494313 /nfs/dbraw/zinc/49/43/13/351494313.db2.gz JHDBZKBMWKWMRW-UHFFFAOYSA-N 0 0 208.688 3.631 10 0 BHAERN C/C(=C/Cl)CNc1cccc(Cl)c1 ZINC000231997491 353688775 /nfs/dbraw/zinc/68/87/75/353688775.db2.gz IHTFIWJSAQYULV-VURMDHGXSA-N 0 0 216.111 3.895 10 0 BHAERN C/C(=C/Cl)CNc1ccc(Cl)cc1 ZINC000231997499 351501905 /nfs/dbraw/zinc/50/19/05/351501905.db2.gz HEKWXJOSALEHJK-VURMDHGXSA-N 0 0 216.111 3.895 10 0 BHAERN C/C(=C/Cl)CNc1ccccc1Cl ZINC000231997527 351501968 /nfs/dbraw/zinc/50/19/68/351501968.db2.gz HMCCJWPVCIJEIJ-VURMDHGXSA-N 0 0 216.111 3.895 10 0 BHAERN C/C(=C/Cl)CNc1cccc(F)c1C ZINC000231998979 351501750 /nfs/dbraw/zinc/50/17/50/351501750.db2.gz MPCKEEIAERJHIQ-VURMDHGXSA-N 0 0 213.683 3.689 10 0 BHAERN C/C(=C/Cl)CSc1ccccc1N ZINC000232004519 351507491 /nfs/dbraw/zinc/50/74/91/351507491.db2.gz NRZGWBWMDPZVIG-VURMDHGXSA-N 0 0 213.733 3.504 10 0 BHAERN C/C(=C/Cl)CSc1cc(F)ccc1N ZINC000232004723 353690367 /nfs/dbraw/zinc/69/03/67/353690367.db2.gz JSLPAYUJSMCPNX-ALCCZGGFSA-N 0 0 231.723 3.643 10 0 BHAERN C/C(=C/Cl)COc1cc(C)ccc1F ZINC000232012208 351529413 /nfs/dbraw/zinc/52/94/13/351529413.db2.gz RDJNZFDNVLCMMD-TWGQIWQCSA-N 0 0 214.667 3.656 10 0 BHAERN Cc1cc(NC2CC2)cc(C)c1Br ZINC000232024000 398003187 /nfs/dbraw/zinc/00/31/87/398003187.db2.gz LFGAUYRYYUIJIB-UHFFFAOYSA-N 0 0 240.144 3.640 10 0 BHAERN CCCNc1cc(Cl)c(F)c(Cl)c1 ZINC000232025963 350651042 /nfs/dbraw/zinc/65/10/42/350651042.db2.gz PPFBEAUSOVIQMY-UHFFFAOYSA-N 0 0 222.090 3.954 10 0 BHAERN Fc1c(Cl)cc(NC2CC2)cc1Cl ZINC000232027883 351564312 /nfs/dbraw/zinc/56/43/12/351564312.db2.gz OGGUXMNEISJSHL-UHFFFAOYSA-N 0 0 220.074 3.707 10 0 BHAERN CC1(C)CNc2cc(Cl)c(F)c(Cl)c21 ZINC000232031877 351582436 /nfs/dbraw/zinc/58/24/36/351582436.db2.gz HOZCREJFJVGLSL-UHFFFAOYSA-N 0 0 234.101 3.836 10 0 BHAERN FCCNc1cc(Cl)c(F)c(Cl)c1 ZINC000232035864 351586165 /nfs/dbraw/zinc/58/61/65/351586165.db2.gz PQNQGAHUQOPLSC-UHFFFAOYSA-N 0 0 226.053 3.514 10 0 BHAERN CCCNc1cc(C)cc(Br)c1 ZINC000232054485 351605629 /nfs/dbraw/zinc/60/56/29/351605629.db2.gz XKKQHGMNVFCBDO-UHFFFAOYSA-N 0 0 228.133 3.579 10 0 BHAERN Cc1cc(-c2cc(C)cc(N)c2)cs1 ZINC000232055009 351606325 /nfs/dbraw/zinc/60/63/25/351606325.db2.gz VMJTYPJYORCLFO-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1ccc(-c2cc(C)cc(N)c2)s1 ZINC000232055039 353686026 /nfs/dbraw/zinc/68/60/26/353686026.db2.gz CIZPQAMYAGXTQD-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Cc1cc(N)cc(-c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000232055802 641232810 /nfs/dbraw/zinc/23/28/10/641232810.db2.gz SQWSPDWQZCSYDM-LLVKDONJSA-N 0 0 239.318 3.568 10 0 BHAERN Cc1cc(N)cc(-c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000232055804 641231733 /nfs/dbraw/zinc/23/17/33/641231733.db2.gz SQWSPDWQZCSYDM-NSHDSACASA-N 0 0 239.318 3.568 10 0 BHAERN CC[C@@H](C)Nc1cc(C)cc(Br)c1 ZINC000232063593 351614563 /nfs/dbraw/zinc/61/45/63/351614563.db2.gz PRWNKLFJSAFHOG-SECBINFHSA-N 0 0 242.160 3.968 10 0 BHAERN CC[C@H](C)Nc1cc(C)cc(Br)c1 ZINC000232063595 351614506 /nfs/dbraw/zinc/61/45/06/351614506.db2.gz PRWNKLFJSAFHOG-VIFPVBQESA-N 0 0 242.160 3.968 10 0 BHAERN Cc1cc(Br)cc(NCC(C)C)c1 ZINC000232064337 351615486 /nfs/dbraw/zinc/61/54/86/351615486.db2.gz YSAUMUYAILBMCJ-UHFFFAOYSA-N 0 0 242.160 3.825 10 0 BHAERN Cc1cc(Br)cc(NCCCF)c1 ZINC000232067702 351615023 /nfs/dbraw/zinc/61/50/23/351615023.db2.gz QOBSGHSPMHSALM-UHFFFAOYSA-N 0 0 246.123 3.529 10 0 BHAERN O=Cc1cccc(-c2cccc3ccncc32)c1 ZINC000232069323 641241940 /nfs/dbraw/zinc/24/19/40/641241940.db2.gz REERXHNQBOPNRI-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1ccccc1-c1cccc2ccncc21 ZINC000232069337 641242106 /nfs/dbraw/zinc/24/21/06/641242106.db2.gz YZAODMOYHHPCAE-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN O=Cc1ccc(-c2cccc3ccncc32)cc1 ZINC000232069344 641241497 /nfs/dbraw/zinc/24/14/97/641241497.db2.gz SKZZCMAVUZJWFA-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN Cc1cncc(-c2ccc(C(=O)C3CC3)s2)c1 ZINC000232080274 487509207 /nfs/dbraw/zinc/50/92/07/487509207.db2.gz OQSKEOLSYCHVHO-UHFFFAOYSA-N 0 0 243.331 3.711 10 0 BHAERN CCCNc1cc(Br)c(F)cc1C ZINC000232097608 351754088 /nfs/dbraw/zinc/75/40/88/351754088.db2.gz YCQYBLOPQLNBNY-UHFFFAOYSA-N 0 0 246.123 3.719 10 0 BHAERN CC[C@@H](C)Nc1c(F)cccc1Br ZINC000232120565 351832069 /nfs/dbraw/zinc/83/20/69/351832069.db2.gz GLTGKSXNKPJQTP-SSDOTTSWSA-N 0 0 246.123 3.799 10 0 BHAERN CC[C@H](C)Nc1c(F)cccc1Br ZINC000232120566 351832551 /nfs/dbraw/zinc/83/25/51/351832551.db2.gz GLTGKSXNKPJQTP-ZETCQYMHSA-N 0 0 246.123 3.799 10 0 BHAERN CC(C)CNc1c(F)cccc1Br ZINC000232121417 350654272 /nfs/dbraw/zinc/65/42/72/350654272.db2.gz PMSFWBMVMIFLAZ-UHFFFAOYSA-N 0 0 246.123 3.656 10 0 BHAERN Fc1cccc(Br)c1NC1CCC1 ZINC000232122040 351833757 /nfs/dbraw/zinc/83/37/57/351833757.db2.gz ZUYBGIOICCCEOA-UHFFFAOYSA-N 0 0 244.107 3.553 10 0 BHAERN Nc1c(F)cccc1-c1ccc(Cl)s1 ZINC000232138212 353700019 /nfs/dbraw/zinc/70/00/19/353700019.db2.gz ZASPSQBZDBVUNT-UHFFFAOYSA-N 0 0 227.691 3.790 10 0 BHAERN Nc1ccc(-c2ccsc2)cc1Cl ZINC000232153808 351950256 /nfs/dbraw/zinc/95/02/56/351950256.db2.gz YRQCSYRIAOQPAU-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Cc1cc(C)c(C(=O)CC2CCC2)s1 ZINC000232155558 351964774 /nfs/dbraw/zinc/96/47/74/351964774.db2.gz XACCGWUHNIBGJG-UHFFFAOYSA-N 0 0 208.326 3.738 10 0 BHAERN Cc1cc([C@@H](O)CC2CCC2)sc1Cl ZINC000232167701 352001694 /nfs/dbraw/zinc/00/16/94/352001694.db2.gz RECBQOYTPUQKPF-VIFPVBQESA-N 0 0 230.760 3.934 10 0 BHAERN Cc1cc([C@H](O)CC2CCC2)sc1Cl ZINC000232167703 352001744 /nfs/dbraw/zinc/00/17/44/352001744.db2.gz RECBQOYTPUQKPF-SECBINFHSA-N 0 0 230.760 3.934 10 0 BHAERN Clc1cc(NC2CC2)ccc1Br ZINC000232192258 398145208 /nfs/dbraw/zinc/14/52/08/398145208.db2.gz YPLCBPDUIHJDMH-UHFFFAOYSA-N 0 0 246.535 3.677 10 0 BHAERN COC(=O)c1scc(C)c1-c1cccs1 ZINC000232196010 352110219 /nfs/dbraw/zinc/11/02/19/352110219.db2.gz XBXCJQHKXCLKJW-UHFFFAOYSA-N 0 0 238.333 3.572 10 0 BHAERN CCc1nc(C)ccc1Oc1ccnc(Cl)c1 ZINC000232201336 386744790 /nfs/dbraw/zinc/74/47/90/386744790.db2.gz YABSIOWOJJSLHB-UHFFFAOYSA-N 0 0 248.713 3.793 10 0 BHAERN COc1cc2nc(Cl)c(C)cc2cc1Cl ZINC000232205693 352334644 /nfs/dbraw/zinc/33/46/44/352334644.db2.gz PNVYIRYSZCJDOL-UHFFFAOYSA-N 0 0 242.105 3.859 10 0 BHAERN Cc1ccc(Cl)c(-c2ccc(C=O)o2)c1 ZINC000232215857 352459153 /nfs/dbraw/zinc/45/91/53/352459153.db2.gz ZATJNVJROGOTFL-UHFFFAOYSA-N 0 0 220.655 3.721 10 0 BHAERN COc1cc(C)c(-c2cccc(N)c2C)cc1C ZINC000232216584 487523782 /nfs/dbraw/zinc/52/37/82/487523782.db2.gz CFKLEVGOMVQJGA-UHFFFAOYSA-N 0 0 241.334 3.870 10 0 BHAERN Cc1c(N)cccc1-c1ccc(OC2CC2)cc1 ZINC000232216721 387141770 /nfs/dbraw/zinc/14/17/70/387141770.db2.gz HIEVGJSDKVHLPJ-UHFFFAOYSA-N 0 0 239.318 3.785 10 0 BHAERN Cc1sccc1-c1cccc(N)c1C ZINC000232216904 352459149 /nfs/dbraw/zinc/45/91/49/352459149.db2.gz NVMPAPHOUJXRBP-UHFFFAOYSA-N 0 0 203.310 3.614 10 0 BHAERN Nc1cc(F)ccc1-c1sccc1Cl ZINC000232217018 352459212 /nfs/dbraw/zinc/45/92/12/352459212.db2.gz KSQPERLOGUWZIR-UHFFFAOYSA-N 0 0 227.691 3.790 10 0 BHAERN Cc1c(N)cccc1-c1ccc2c(c1)CCC2 ZINC000232217273 487523775 /nfs/dbraw/zinc/52/37/75/487523775.db2.gz CPAHJKXNGYPGJI-UHFFFAOYSA-N 0 0 223.319 3.733 10 0 BHAERN Cc1c(N)cccc1-c1ccc2c(c1)C[C@@H](C)O2 ZINC000232217279 641256778 /nfs/dbraw/zinc/25/67/78/641256778.db2.gz UUMZPJVRLJZZHL-SNVBAGLBSA-N 0 0 239.318 3.568 10 0 BHAERN Cc1c(N)cccc1-c1ccc2c(c1)C[C@H](C)O2 ZINC000232217281 641256101 /nfs/dbraw/zinc/25/61/01/641256101.db2.gz UUMZPJVRLJZZHL-JTQLQIEISA-N 0 0 239.318 3.568 10 0 BHAERN Cc1c(N)cccc1-c1ccc2c(c1)CCCO2 ZINC000232217325 487523384 /nfs/dbraw/zinc/52/33/84/487523384.db2.gz PGVZXEDJRAXVEU-UHFFFAOYSA-N 0 0 239.318 3.569 10 0 BHAERN CC[C@@H](C)Nc1cccc(Br)c1C ZINC000232225431 353703017 /nfs/dbraw/zinc/70/30/17/353703017.db2.gz IGQZQNSADMQRAF-MRVPVSSYSA-N 0 0 242.160 3.968 10 0 BHAERN CC[C@H](C)Nc1cccc(Br)c1C ZINC000232225432 352483223 /nfs/dbraw/zinc/48/32/23/352483223.db2.gz IGQZQNSADMQRAF-QMMMGPOBSA-N 0 0 242.160 3.968 10 0 BHAERN Cc1c(Br)cccc1NCC(C)C ZINC000232226125 352483485 /nfs/dbraw/zinc/48/34/85/352483485.db2.gz MIGWXDZJPHITEQ-UHFFFAOYSA-N 0 0 242.160 3.825 10 0 BHAERN Cc1ccc(Cl)c(NCC2CCC2)c1 ZINC000232231441 352556298 /nfs/dbraw/zinc/55/62/98/352556298.db2.gz RMZOAERKUUQHGX-UHFFFAOYSA-N 0 0 209.720 3.860 10 0 BHAERN CC[C@@H](C)Nc1cc(F)ccc1Br ZINC000232237439 388390302 /nfs/dbraw/zinc/39/03/02/388390302.db2.gz PKTHHITXHPGCFA-SSDOTTSWSA-N 0 0 246.123 3.799 10 0 BHAERN CC[C@H](C)Nc1cc(F)ccc1Br ZINC000232237441 388390227 /nfs/dbraw/zinc/39/02/27/388390227.db2.gz PKTHHITXHPGCFA-ZETCQYMHSA-N 0 0 246.123 3.799 10 0 BHAERN CCCCNc1cc(F)ccc1Br ZINC000232238763 352562264 /nfs/dbraw/zinc/56/22/64/352562264.db2.gz PVFQRIIGPFXGIM-UHFFFAOYSA-N 0 0 246.123 3.800 10 0 BHAERN Fc1ccc(Br)c(NC2CCC2)c1 ZINC000232238893 352562272 /nfs/dbraw/zinc/56/22/72/352562272.db2.gz XESNOFUVWDHRFU-UHFFFAOYSA-N 0 0 244.107 3.553 10 0 BHAERN Cc1ccc(Cl)c(NCC(F)(F)F)c1 ZINC000232242554 352576928 /nfs/dbraw/zinc/57/69/28/352576928.db2.gz JYXYLAGQKLVQIZ-UHFFFAOYSA-N 0 0 223.625 3.623 10 0 BHAERN Oc1cc(Cl)c(C2CC2)cc1Cl ZINC000232335786 352629629 /nfs/dbraw/zinc/62/96/29/352629629.db2.gz AQFFUIXLIQEFQB-UHFFFAOYSA-N 0 0 203.068 3.576 10 0 BHAERN CC(C)Cc1cc(Cl)c(O)cc1Cl ZINC000232335886 352629565 /nfs/dbraw/zinc/62/95/65/352629565.db2.gz RBILCLBTYPTGEV-UHFFFAOYSA-N 0 0 219.111 3.898 10 0 BHAERN CC1(C)CNc2cc(Cl)cc(Cl)c2O1 ZINC000232384954 352646750 /nfs/dbraw/zinc/64/67/50/352646750.db2.gz YQWUFTBSLUSJMU-UHFFFAOYSA-N 0 0 232.110 3.576 10 0 BHAERN CC(C)CCNc1ccc(O)c(Cl)c1 ZINC000232390729 352649630 /nfs/dbraw/zinc/64/96/30/352649630.db2.gz GDTIISCTNCFTNQ-UHFFFAOYSA-N 0 0 213.708 3.504 10 0 BHAERN C/C=C/CNc1c(Cl)cccc1Cl ZINC000232469651 352724108 /nfs/dbraw/zinc/72/41/08/352724108.db2.gz GMCUIFVDMQUIAF-NSCUHMNNSA-N 0 0 216.111 3.981 10 0 BHAERN C/C=C/CNc1c(F)cccc1Br ZINC000232469766 352723794 /nfs/dbraw/zinc/72/37/94/352723794.db2.gz GFWGONZYVLJGJQ-NSCUHMNNSA-N 0 0 244.107 3.576 10 0 BHAERN C/C=C/CNc1cc(Br)ccc1C ZINC000232469859 350659975 /nfs/dbraw/zinc/65/99/75/350659975.db2.gz SAVYSKHWASSTEM-ONEGZZNKSA-N 0 0 240.144 3.746 10 0 BHAERN C/C=C/CNc1cc(Br)ccc1F ZINC000232469891 352724086 /nfs/dbraw/zinc/72/40/86/352724086.db2.gz FQQQVBZBOJKJDH-NSCUHMNNSA-N 0 0 244.107 3.576 10 0 BHAERN C/C=C/CNc1cc(C)cc(Br)c1 ZINC000232470002 352724500 /nfs/dbraw/zinc/72/45/00/352724500.db2.gz UAXFXQULMRHKDH-ONEGZZNKSA-N 0 0 240.144 3.746 10 0 BHAERN C/C=C/CNc1cc(C)ccc1Br ZINC000232470029 352724463 /nfs/dbraw/zinc/72/44/63/352724463.db2.gz HRZBLJXYLXDFOD-ONEGZZNKSA-N 0 0 240.144 3.746 10 0 BHAERN C/C=C/CNc1cc(F)ccc1Br ZINC000232470247 352737932 /nfs/dbraw/zinc/73/79/32/352737932.db2.gz ZOAAYGZIDRURMT-NSCUHMNNSA-N 0 0 244.107 3.576 10 0 BHAERN C/C=C/CNc1ccc(Br)c(F)c1 ZINC000232470325 352738184 /nfs/dbraw/zinc/73/81/84/352738184.db2.gz IBMUDIYBNWRNRG-NSCUHMNNSA-N 0 0 244.107 3.576 10 0 BHAERN C/C=C/CNc1ccc(Br)cc1F ZINC000232470376 352737978 /nfs/dbraw/zinc/73/79/78/352737978.db2.gz QHGKTBXEUIVINU-NSCUHMNNSA-N 0 0 244.107 3.576 10 0 BHAERN C/C=C/CNc1ccc(C)c(Br)c1 ZINC000232470493 385935569 /nfs/dbraw/zinc/93/55/69/385935569.db2.gz STTSZKJNVVTAEX-ONEGZZNKSA-N 0 0 240.144 3.746 10 0 BHAERN C/C=C/CNc1ccc(C)cc1Br ZINC000232470529 385936030 /nfs/dbraw/zinc/93/60/30/385936030.db2.gz YIOSQJKCAOWNSB-ONEGZZNKSA-N 0 0 240.144 3.746 10 0 BHAERN C/C=C/CNc1ccc(F)c(Br)c1 ZINC000232470671 385937612 /nfs/dbraw/zinc/93/76/12/385937612.db2.gz NPSNVMCWCONXCP-NSCUHMNNSA-N 0 0 244.107 3.576 10 0 BHAERN C/C=C/CNc1ccc(F)cc1Br ZINC000232470739 385937689 /nfs/dbraw/zinc/93/76/89/385937689.db2.gz NOQURFZBWDLNPT-NSCUHMNNSA-N 0 0 244.107 3.576 10 0 BHAERN C/C=C/CNc1cccc(Br)c1C ZINC000232470864 385936904 /nfs/dbraw/zinc/93/69/04/385936904.db2.gz WDTHTFUKBKZCOA-ONEGZZNKSA-N 0 0 240.144 3.746 10 0 BHAERN C/C=C/CNc1cccc(C)c1Br ZINC000232470895 385935461 /nfs/dbraw/zinc/93/54/61/385935461.db2.gz NYYUANHPDDFQAR-ONEGZZNKSA-N 0 0 240.144 3.746 10 0 BHAERN C/C=C/CNc1cccc(Cl)c1Cl ZINC000232470962 385936148 /nfs/dbraw/zinc/93/61/48/385936148.db2.gz QHXSZEUGYWGLNW-NSCUHMNNSA-N 0 0 216.111 3.981 10 0 BHAERN CC(C)(C)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000232490357 352753441 /nfs/dbraw/zinc/75/34/41/352753441.db2.gz BZYRXGOGBUBCFA-UHFFFAOYSA-N 0 0 228.694 3.637 10 0 BHAERN CC(C)(C)CC(=O)c1cc(F)c(F)cc1F ZINC000232491455 352753685 /nfs/dbraw/zinc/75/36/85/352753685.db2.gz USGAEAOYPVJEPZ-UHFFFAOYSA-N 0 0 230.229 3.723 10 0 BHAERN CC(C)(C)Nc1c(Cl)cc(N)cc1Cl ZINC000232493259 352754588 /nfs/dbraw/zinc/75/45/88/352754588.db2.gz ODJPJEQSQMQZBK-UHFFFAOYSA-N 0 0 233.142 3.786 10 0 BHAERN CC(C)C1CC(Nc2ccc(N(C)C)cc2)C1 ZINC000232541209 711760780 /nfs/dbraw/zinc/76/07/80/711760780.db2.gz ITQXZGDAPNAWAQ-UHFFFAOYSA-N 0 0 232.371 3.599 10 0 BHAERN CC(C)C1CCN(c2nc(Cl)cs2)CC1 ZINC000232546959 353122840 /nfs/dbraw/zinc/12/28/40/353122840.db2.gz CRPCKMOJNGISRE-UHFFFAOYSA-N 0 0 244.791 3.669 10 0 BHAERN Cc1cccc(C(=O)C(C)C)c1Br ZINC000232558483 353733017 /nfs/dbraw/zinc/73/30/17/353733017.db2.gz WUJXZPUKBAWPKH-UHFFFAOYSA-N 0 0 241.128 3.596 10 0 BHAERN CC(=O)CCCSCc1ccccc1Cl ZINC000232559655 353129866 /nfs/dbraw/zinc/12/98/66/353129866.db2.gz FGEQNLGOMLNRGI-UHFFFAOYSA-N 0 0 242.771 3.942 10 0 BHAERN Cc1ccc(C(=O)CC(C)C)c(Cl)c1 ZINC000232560283 353735326 /nfs/dbraw/zinc/73/53/26/353735326.db2.gz XGFFBPLSGDTLCP-UHFFFAOYSA-N 0 0 210.704 3.877 10 0 BHAERN Cc1csc(C(=O)C(C)C)c1Cl ZINC000232561916 353132551 /nfs/dbraw/zinc/13/25/51/353132551.db2.gz BQYAONDLFRDZBC-UHFFFAOYSA-N 0 0 202.706 3.549 10 0 BHAERN CC(C)=C[C@@H](O)c1ccc(Cl)cc1C ZINC000232562981 353133423 /nfs/dbraw/zinc/13/34/23/353133423.db2.gz RIHARLXNQOKRSA-GFCCVEGCSA-N 0 0 210.704 3.648 10 0 BHAERN CC(C)=C[C@H](O)c1ccc(Cl)cc1C ZINC000232569636 353134536 /nfs/dbraw/zinc/13/45/36/353134536.db2.gz RIHARLXNQOKRSA-LBPRGKRZSA-N 0 0 210.704 3.648 10 0 BHAERN CC(C)CCSCC(=O)c1ccccc1 ZINC000232579277 353137315 /nfs/dbraw/zinc/13/73/15/353137315.db2.gz NXVXFUFQIMVNST-UHFFFAOYSA-N 0 0 222.353 3.649 10 0 BHAERN CCCCNc1nsc2ccccc21 ZINC000232587311 353138795 /nfs/dbraw/zinc/13/87/95/353138795.db2.gz BIOBPAUTDLBIHD-UHFFFAOYSA-N 0 0 206.314 3.508 10 0 BHAERN CC(C)C(=O)CSCc1ccccc1Cl ZINC000232591814 353140607 /nfs/dbraw/zinc/14/06/07/353140607.db2.gz HLQJWWRVDMMODU-UHFFFAOYSA-N 0 0 242.771 3.798 10 0 BHAERN Cc1csc([C@H](O)CC(C)C)c1Cl ZINC000232607903 353740841 /nfs/dbraw/zinc/74/08/41/353740841.db2.gz VRWKVIPSFAUMMO-MRVPVSSYSA-N 0 0 218.749 3.789 10 0 BHAERN Cc1csc([C@@H](O)CC(C)C)c1Cl ZINC000232619893 353144005 /nfs/dbraw/zinc/14/40/05/353144005.db2.gz VRWKVIPSFAUMMO-QMMMGPOBSA-N 0 0 218.749 3.789 10 0 BHAERN Cc1cc(Cl)nc(Cl)c1NC(C)C ZINC000232668620 353155792 /nfs/dbraw/zinc/15/57/92/353155792.db2.gz VDTKMKOXLDHYDQ-UHFFFAOYSA-N 0 0 219.115 3.517 10 0 BHAERN CC(C)Sc1cc(Cl)c(F)cc1N ZINC000232675132 353752675 /nfs/dbraw/zinc/75/26/75/353752675.db2.gz WHNZIGCGCJFHPO-UHFFFAOYSA-N 0 0 219.712 3.562 10 0 BHAERN CC(C)[C@@H]1CCC(=O)[C@@H](C/C=C/Cl)C1 ZINC000232690400 353173487 /nfs/dbraw/zinc/17/34/87/353173487.db2.gz ZSOHARFAEZQFRI-JZAOELKXSA-N 0 0 214.736 3.770 10 0 BHAERN CC(C)[C@@H]1CCC(=O)[C@H](C/C=C/Cl)C1 ZINC000232690679 353173554 /nfs/dbraw/zinc/17/35/54/353173554.db2.gz ZSOHARFAEZQFRI-XEQKKNTQSA-N 0 0 214.736 3.770 10 0 BHAERN CC(C)[C@@H]1CNc2c1cccc2Br ZINC000232702420 323946303 /nfs/dbraw/zinc/94/63/03/323946303.db2.gz KVGNVRBJEAYGGG-VIFPVBQESA-N 0 0 240.144 3.614 10 0 BHAERN CC(C)[C@@H]1CNc2ccc(OC(F)(F)F)cc21 ZINC000232702783 387156776 /nfs/dbraw/zinc/15/67/76/387156776.db2.gz QWRMDKFLRXZTQH-JTQLQIEISA-N 0 0 245.244 3.750 10 0 BHAERN CC(C)[C@H]1CNc2c1cccc2Br ZINC000232720702 323946309 /nfs/dbraw/zinc/94/63/09/323946309.db2.gz KVGNVRBJEAYGGG-SECBINFHSA-N 0 0 240.144 3.614 10 0 BHAERN CC(C)[C@H]1CNc2ccc(OC(F)(F)F)cc21 ZINC000232720979 387157019 /nfs/dbraw/zinc/15/70/19/387157019.db2.gz QWRMDKFLRXZTQH-SNVBAGLBSA-N 0 0 245.244 3.750 10 0 BHAERN CC(C)c1ccc(C(=O)C(F)(F)C(F)F)cc1 ZINC000232736177 350666184 /nfs/dbraw/zinc/66/61/84/350666184.db2.gz MTYBYWQMMXXOBC-UHFFFAOYSA-N 0 0 248.219 3.893 10 0 BHAERN CC(C)[C@@H](C)SCC(=O)c1ccccc1 ZINC000232737927 372156236 /nfs/dbraw/zinc/15/62/36/372156236.db2.gz TUXCAZIWLRPEAZ-LLVKDONJSA-N 0 0 222.353 3.647 10 0 BHAERN Cc1cc(N)cc(S[C@@H](C)C(C)C)c1 ZINC000232739980 353284240 /nfs/dbraw/zinc/28/42/40/353284240.db2.gz QZUSLFJUMUJHHC-JTQLQIEISA-N 0 0 209.358 3.714 10 0 BHAERN Cc1ccc(N)c(S[C@@H](C)C(C)C)c1 ZINC000232740298 353318791 /nfs/dbraw/zinc/31/87/91/353318791.db2.gz OKWPYHILNPBXIR-JTQLQIEISA-N 0 0 209.358 3.714 10 0 BHAERN CC(C)c1cccc(NC/C=C/Cl)c1 ZINC000232750692 350666285 /nfs/dbraw/zinc/66/62/85/350666285.db2.gz ILVFDWHIGMIDFX-QPJJXVBHSA-N 0 0 209.720 3.974 10 0 BHAERN CC(C)[C@H](C)Sc1ccc(F)cc1N ZINC000232759270 350666788 /nfs/dbraw/zinc/66/67/88/350666788.db2.gz OACABINGMDXOIU-QMMMGPOBSA-N 0 0 213.321 3.545 10 0 BHAERN Cc1cc(S[C@@H](C)C(C)C)ccc1N ZINC000232760905 353769281 /nfs/dbraw/zinc/76/92/81/353769281.db2.gz WDTBMDZWBKXBHA-JTQLQIEISA-N 0 0 209.358 3.714 10 0 BHAERN Cc1cc(N)ccc1S[C@@H](C)C(C)C ZINC000232761908 353385746 /nfs/dbraw/zinc/38/57/46/353385746.db2.gz WEUNULNJTPGMGI-JTQLQIEISA-N 0 0 209.358 3.714 10 0 BHAERN CC(C)[C@H](C)SCC(=O)c1ccccc1 ZINC000232766977 353386772 /nfs/dbraw/zinc/38/67/72/353386772.db2.gz TUXCAZIWLRPEAZ-NSHDSACASA-N 0 0 222.353 3.647 10 0 BHAERN Cc1c(N)cccc1S[C@@H](C)C(C)C ZINC000232767327 353387460 /nfs/dbraw/zinc/38/74/60/353387460.db2.gz DNXYSHZQQGJMPL-JTQLQIEISA-N 0 0 209.358 3.714 10 0 BHAERN CC(C)[C@H](C)Sc1ccnc(Cl)c1 ZINC000232769484 353386884 /nfs/dbraw/zinc/38/68/84/353386884.db2.gz OZBWPTBUFVZHAT-QMMMGPOBSA-N 0 0 215.749 3.872 10 0 BHAERN CC(C)[C@H](C)Sc1nc(F)c(F)cc1F ZINC000232774998 353393926 /nfs/dbraw/zinc/39/39/26/353393926.db2.gz PRJBUFXTBHVQIF-LURJTMIESA-N 0 0 235.274 3.636 10 0 BHAERN Cc1c(Cl)nnc(S[C@@H](C)C(C)C)c1C ZINC000232784015 353418329 /nfs/dbraw/zinc/41/83/29/353418329.db2.gz AFWPSGUJZYBQJA-VIFPVBQESA-N 0 0 244.791 3.883 10 0 BHAERN CC(C)[C@]1(C)CNc2ccc(Cl)cc21 ZINC000232787045 353414065 /nfs/dbraw/zinc/41/40/65/353414065.db2.gz AKCKZXUHWARCKG-LBPRGKRZSA-N 0 0 209.720 3.679 10 0 BHAERN CC(C)c1cccc(NC2CCC(O)CC2)c1 ZINC000232791612 167633723 /nfs/dbraw/zinc/63/37/23/167633723.db2.gz WSIUSYTZGNDWIW-UHFFFAOYSA-N 0 0 233.355 3.525 10 0 BHAERN CC1(C)C[C@H]1C(=O)c1ccc(Cl)s1 ZINC000232792877 372161472 /nfs/dbraw/zinc/16/14/72/372161472.db2.gz VNGKDPMUUOJCSN-LURJTMIESA-N 0 0 214.717 3.630 10 0 BHAERN CC1(C)C[C@H]1C(=O)c1sccc1Cl ZINC000232795754 353475653 /nfs/dbraw/zinc/47/56/53/353475653.db2.gz DZNQHCGJZBNHLU-LURJTMIESA-N 0 0 214.717 3.630 10 0 BHAERN CC1CCC(C(=O)c2ccc(Cl)o2)CC1 ZINC000232800855 353511896 /nfs/dbraw/zinc/51/18/96/353511896.db2.gz IAWISPIYLXEJGG-UHFFFAOYSA-N 0 0 226.703 3.942 10 0 BHAERN CC(C)[C@@]1(C)CNc2ccc(Cl)cc21 ZINC000232807377 353529441 /nfs/dbraw/zinc/52/94/41/353529441.db2.gz AKCKZXUHWARCKG-GFCCVEGCSA-N 0 0 209.720 3.679 10 0 BHAERN Cc1cc(N)cc(S[C@H](C)C(C)C)c1 ZINC000232811147 353576056 /nfs/dbraw/zinc/57/60/56/353576056.db2.gz QZUSLFJUMUJHHC-SNVBAGLBSA-N 0 0 209.358 3.714 10 0 BHAERN Cc1ccc(N)c(S[C@H](C)C(C)C)c1 ZINC000232811394 353576623 /nfs/dbraw/zinc/57/66/23/353576623.db2.gz OKWPYHILNPBXIR-SNVBAGLBSA-N 0 0 209.358 3.714 10 0 BHAERN CC(C)[C@@H](C)Sc1ccc(F)cc1N ZINC000232824157 372165733 /nfs/dbraw/zinc/16/57/33/372165733.db2.gz OACABINGMDXOIU-MRVPVSSYSA-N 0 0 213.321 3.545 10 0 BHAERN Cc1cc(S[C@H](C)C(C)C)ccc1N ZINC000232825140 353634183 /nfs/dbraw/zinc/63/41/83/353634183.db2.gz WDTBMDZWBKXBHA-SNVBAGLBSA-N 0 0 209.358 3.714 10 0 BHAERN Cc1cc(N)ccc1S[C@H](C)C(C)C ZINC000232825737 353634410 /nfs/dbraw/zinc/63/44/10/353634410.db2.gz WEUNULNJTPGMGI-SNVBAGLBSA-N 0 0 209.358 3.714 10 0 BHAERN Cc1c(N)cccc1S[C@H](C)C(C)C ZINC000232830034 353644889 /nfs/dbraw/zinc/64/48/89/353644889.db2.gz DNXYSHZQQGJMPL-SNVBAGLBSA-N 0 0 209.358 3.714 10 0 BHAERN CC(C)[C@@H](C)Sc1ccnc(Cl)c1 ZINC000232831503 353722352 /nfs/dbraw/zinc/72/23/52/353722352.db2.gz OZBWPTBUFVZHAT-MRVPVSSYSA-N 0 0 215.749 3.872 10 0 BHAERN CC1(C(=O)c2cccs2)CCCCC1 ZINC000232834676 372167173 /nfs/dbraw/zinc/16/71/73/372167173.db2.gz HKILMMZARPAHGV-UHFFFAOYSA-N 0 0 208.326 3.901 10 0 BHAERN CC(C)[C@@H](C)Sc1nc(F)c(F)cc1F ZINC000232835357 372167512 /nfs/dbraw/zinc/16/75/12/372167512.db2.gz PRJBUFXTBHVQIF-ZCFIWIBFSA-N 0 0 235.274 3.636 10 0 BHAERN CCC(C)(C)C(=O)c1cc(F)c(F)cc1F ZINC000232835531 372167130 /nfs/dbraw/zinc/16/71/30/372167130.db2.gz JBSUKPIKDSULDP-UHFFFAOYSA-N 0 0 230.229 3.723 10 0 BHAERN CCC(=O)[C@@H](C)SCc1ccccc1Cl ZINC000232835898 363383900 /nfs/dbraw/zinc/38/39/00/363383900.db2.gz QHXDHAGMUSVZIW-SECBINFHSA-N 0 0 242.771 3.941 10 0 BHAERN Cc1c(Cl)nnc(S[C@H](C)C(C)C)c1C ZINC000232841683 350669159 /nfs/dbraw/zinc/66/91/59/350669159.db2.gz AFWPSGUJZYBQJA-SECBINFHSA-N 0 0 244.791 3.883 10 0 BHAERN Cc1cccc(Cl)c1NC1CC(C)C1 ZINC000232842255 353792896 /nfs/dbraw/zinc/79/28/96/353792896.db2.gz CALPTYSQOJGRLU-UHFFFAOYSA-N 0 0 209.720 3.859 10 0 BHAERN CCC(CC)C(=O)c1cc(F)c(F)cc1F ZINC000232842786 363385812 /nfs/dbraw/zinc/38/58/12/363385812.db2.gz UWCUUBJHUQWHMN-UHFFFAOYSA-N 0 0 230.229 3.723 10 0 BHAERN CC1(C)C[C@H]1c1nc2sccc2c(Cl)n1 ZINC000232843317 641848790 /nfs/dbraw/zinc/84/87/90/641848790.db2.gz QKNBQVTXRCDWTA-ZETCQYMHSA-N 0 0 238.743 3.858 10 0 BHAERN Cc1ccc(Cl)cc1NC1CC(C)C1 ZINC000232846423 353790574 /nfs/dbraw/zinc/79/05/74/353790574.db2.gz JCKCSLDJXQZNAK-UHFFFAOYSA-N 0 0 209.720 3.859 10 0 BHAERN CC1CC(Nc2cc(Cl)ccc2F)C1 ZINC000232846514 353790235 /nfs/dbraw/zinc/79/02/35/353790235.db2.gz VJYZWJIYOSXYDK-UHFFFAOYSA-N 0 0 213.683 3.690 10 0 BHAERN CCC(=O)[C@H](C)SCc1ccccc1Cl ZINC000232851059 353814755 /nfs/dbraw/zinc/81/47/55/353814755.db2.gz QHXDHAGMUSVZIW-VIFPVBQESA-N 0 0 242.771 3.941 10 0 BHAERN CC1([C@@H](O)c2cccs2)CCCCC1 ZINC000232852834 372170358 /nfs/dbraw/zinc/17/03/58/372170358.db2.gz COBAVORTRMLCCI-NSHDSACASA-N 0 0 210.342 3.752 10 0 BHAERN CC1(C)C[C@@H]1C(=O)c1ccc(Cl)s1 ZINC000232859592 372169597 /nfs/dbraw/zinc/16/95/97/372169597.db2.gz VNGKDPMUUOJCSN-ZCFIWIBFSA-N 0 0 214.717 3.630 10 0 BHAERN CC1(C)C[C@@H]1C(=O)c1sccc1Cl ZINC000232861705 372168973 /nfs/dbraw/zinc/16/89/73/372168973.db2.gz DZNQHCGJZBNHLU-ZCFIWIBFSA-N 0 0 214.717 3.630 10 0 BHAERN CCC(CC)c1cc2n(n1)[C@H](C)C[C@H](C)N2 ZINC000232870315 585032976 /nfs/dbraw/zinc/03/29/76/585032976.db2.gz NZSYKKMINJHPLI-VHSXEESVSA-N 0 0 221.348 3.552 10 0 BHAERN CCC(CC)c1cc2n(n1)[C@@H](C)C[C@H](C)N2 ZINC000232870401 585033172 /nfs/dbraw/zinc/03/31/72/585033172.db2.gz NZSYKKMINJHPLI-UWVGGRQHSA-N 0 0 221.348 3.552 10 0 BHAERN CCC(CC)c1cc2n(n1)[C@H](C)C[C@@H](C)N2 ZINC000232870595 585033165 /nfs/dbraw/zinc/03/31/65/585033165.db2.gz NZSYKKMINJHPLI-NXEZZACHSA-N 0 0 221.348 3.552 10 0 BHAERN CCC(CC)c1cc2n(n1)[C@@H](C)C[C@@H](C)N2 ZINC000232870674 585032958 /nfs/dbraw/zinc/03/29/58/585032958.db2.gz NZSYKKMINJHPLI-ZJUUUORDSA-N 0 0 221.348 3.552 10 0 BHAERN CC1CC(O)(c2cc(Cl)ccc2Cl)C1 ZINC000232872745 353961724 /nfs/dbraw/zinc/96/17/24/353961724.db2.gz DJCIBJZZYLWJFT-UHFFFAOYSA-N 0 0 231.122 3.611 10 0 BHAERN CC1(C)C[C@@H]1c1nc2sccc2c(Cl)n1 ZINC000232873587 642009068 /nfs/dbraw/zinc/00/90/68/642009068.db2.gz QKNBQVTXRCDWTA-SSDOTTSWSA-N 0 0 238.743 3.858 10 0 BHAERN CC1CC(O)(c2ccc(Cl)c(Cl)c2)C1 ZINC000232873793 353988181 /nfs/dbraw/zinc/98/81/81/353988181.db2.gz LSBAQOVBNGLEKP-UHFFFAOYSA-N 0 0 231.122 3.611 10 0 BHAERN CC1([C@H](O)c2cccs2)CCCCC1 ZINC000232882922 354044133 /nfs/dbraw/zinc/04/41/33/354044133.db2.gz COBAVORTRMLCCI-LLVKDONJSA-N 0 0 210.342 3.752 10 0 BHAERN CCC(CC)C(=O)c1c(C)cccc1C ZINC000232902155 354251979 /nfs/dbraw/zinc/25/19/79/354251979.db2.gz IBURLSCDGJQBOL-UHFFFAOYSA-N 0 0 204.313 3.922 10 0 BHAERN CCC1(CC)CNc2c1cccc2Cl ZINC000232919700 387156900 /nfs/dbraw/zinc/15/69/00/387156900.db2.gz KXXJDNRDYTYOCV-UHFFFAOYSA-N 0 0 209.720 3.823 10 0 BHAERN CCC1(CC)CNc2ccc(Cl)cc21 ZINC000232920457 398262041 /nfs/dbraw/zinc/26/20/41/398262041.db2.gz ZQRMEBFDHMEFGH-UHFFFAOYSA-N 0 0 209.720 3.823 10 0 BHAERN CCC(=O)CSCc1ccccc1Cl ZINC000232924707 363389489 /nfs/dbraw/zinc/38/94/89/363389489.db2.gz SHXVSPAMQCDVJQ-UHFFFAOYSA-N 0 0 228.744 3.552 10 0 BHAERN CCCC(=O)CSCc1ccccc1Cl ZINC000232933440 354604378 /nfs/dbraw/zinc/60/43/78/354604378.db2.gz PPSACQYHDBGRLS-UHFFFAOYSA-N 0 0 242.771 3.942 10 0 BHAERN CCC(=O)c1cccc(OC2CCCC2)c1 ZINC000232935036 342892401 /nfs/dbraw/zinc/89/24/01/342892401.db2.gz PANDRKOANRGOAL-UHFFFAOYSA-N 0 0 218.296 3.601 10 0 BHAERN CCC(=O)c1cccc(OC2CCCCC2)c1 ZINC000232935092 342892340 /nfs/dbraw/zinc/89/23/40/342892340.db2.gz SNHNBBJFCOTWML-UHFFFAOYSA-N 0 0 232.323 3.991 10 0 BHAERN CCCCC[C@H]([NH3+])c1cc(F)c(F)cc1F ZINC000232948895 350670653 /nfs/dbraw/zinc/67/06/53/350670653.db2.gz LGQLQLHNFKPRLE-LBPRGKRZSA-N 0 0 231.261 3.684 10 0 BHAERN CCCCCOc1cccc(C(=O)CC)c1 ZINC000232980951 342892324 /nfs/dbraw/zinc/89/23/24/342892324.db2.gz KTGUIESJYMLYMN-UHFFFAOYSA-N 0 0 220.312 3.848 10 0 BHAERN CCCCNc1nc(Cl)nc2sccc21 ZINC000233009064 355277214 /nfs/dbraw/zinc/27/72/14/355277214.db2.gz JAPDNFGIMIPCJH-UHFFFAOYSA-N 0 0 241.747 3.557 10 0 BHAERN CCCCc1ccc(NC2CCC(O)CC2)cc1 ZINC000233016344 259659817 /nfs/dbraw/zinc/65/98/17/259659817.db2.gz GLCDXIOBCWJYRH-UHFFFAOYSA-N 0 0 247.382 3.745 10 0 BHAERN CCC1(CNc2nsnc2Cl)CCCC1 ZINC000233023590 355305057 /nfs/dbraw/zinc/30/50/57/355305057.db2.gz VQJZBBIWIHMRCY-UHFFFAOYSA-N 0 0 245.779 3.574 10 0 BHAERN CCC(C)(C)CNc1nc(Cl)ncc1Cl ZINC000233039911 386759089 /nfs/dbraw/zinc/75/90/89/386759089.db2.gz FELYBMGINALXQT-UHFFFAOYSA-N 0 0 248.157 3.632 10 0 BHAERN CCCNc1c(C)cc(Cl)nc1Cl ZINC000233193124 355644986 /nfs/dbraw/zinc/64/49/86/355644986.db2.gz AVRPCGZEUGOBMD-UHFFFAOYSA-N 0 0 219.115 3.519 10 0 BHAERN CCCNc1cccc(Cl)c1Br ZINC000233195300 355645906 /nfs/dbraw/zinc/64/59/06/355645906.db2.gz DAFBWNROFLCYIE-UHFFFAOYSA-N 0 0 248.551 3.924 10 0 BHAERN CCCOc1ccccc1-c1ccc(C=O)o1 ZINC000233247818 635528953 /nfs/dbraw/zinc/52/89/53/635528953.db2.gz AJPJCYJWPNMDAB-UHFFFAOYSA-N 0 0 230.263 3.548 10 0 BHAERN CCCSc1nc(Cl)nc2sccc21 ZINC000233263962 353810130 /nfs/dbraw/zinc/81/01/30/353810130.db2.gz CIVLFRSHQBHIPX-UHFFFAOYSA-N 0 0 244.772 3.847 10 0 BHAERN CCC[C@@H](C)C(=O)c1c(C)cccc1C ZINC000233272088 342853135 /nfs/dbraw/zinc/85/31/35/342853135.db2.gz WJVSMSWLMHPKDB-GFCCVEGCSA-N 0 0 204.313 3.922 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(F)c(F)c(F)c1 ZINC000233272245 342853180 /nfs/dbraw/zinc/85/31/80/342853180.db2.gz XJQSAAPJLHZRQS-SSDOTTSWSA-N 0 0 230.229 3.723 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(F)c(F)cc1F ZINC000233272249 342853218 /nfs/dbraw/zinc/85/32/18/342853218.db2.gz KENLTGKJYMPABK-SSDOTTSWSA-N 0 0 230.229 3.723 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccc(OC(F)F)cc1 ZINC000233272471 342853454 /nfs/dbraw/zinc/85/34/54/342853454.db2.gz RTURIBPIBPXIMK-SECBINFHSA-N 0 0 242.265 3.907 10 0 BHAERN CCC[C@@H](C)C(=O)c1cccc(OC(F)F)c1 ZINC000233272553 342853780 /nfs/dbraw/zinc/85/37/80/342853780.db2.gz VVVPUXPIDORNAF-SECBINFHSA-N 0 0 242.265 3.907 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccccc1CC ZINC000233272579 342853549 /nfs/dbraw/zinc/85/35/49/342853549.db2.gz PRWXVGQXQSXWBB-LLVKDONJSA-N 0 0 204.313 3.868 10 0 BHAERN CCC[C@@H](C)C(=O)c1ccccc1OC(F)F ZINC000233272596 342853792 /nfs/dbraw/zinc/85/37/92/342853792.db2.gz JCCUOAMOKKZSQX-SECBINFHSA-N 0 0 242.265 3.907 10 0 BHAERN CCC[C@@H](O)c1scc(C)c1Cl ZINC000233295975 342854825 /nfs/dbraw/zinc/85/48/25/342854825.db2.gz STUDUNHMUQROOD-SSDOTTSWSA-N 0 0 204.722 3.543 10 0 BHAERN CCC[C@@H]1CNc2c1cccc2Br ZINC000233300835 323946403 /nfs/dbraw/zinc/94/64/03/323946403.db2.gz CGJZSYPJLZZPPC-MRVPVSSYSA-N 0 0 240.144 3.758 10 0 BHAERN CCC[C@@H]1CNc2ccc(OC(F)(F)F)cc21 ZINC000233300885 323946906 /nfs/dbraw/zinc/94/69/06/323946906.db2.gz IUPHCZSVRYNZTQ-MRVPVSSYSA-N 0 0 245.244 3.894 10 0 BHAERN CCC[C@H](C)C(=O)c1c(C)cccc1C ZINC000233326309 342856664 /nfs/dbraw/zinc/85/66/64/342856664.db2.gz WJVSMSWLMHPKDB-LBPRGKRZSA-N 0 0 204.313 3.922 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(F)c(F)c(F)c1 ZINC000233326487 342856450 /nfs/dbraw/zinc/85/64/50/342856450.db2.gz XJQSAAPJLHZRQS-ZETCQYMHSA-N 0 0 230.229 3.723 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(F)c(F)cc1F ZINC000233326489 342856448 /nfs/dbraw/zinc/85/64/48/342856448.db2.gz KENLTGKJYMPABK-ZETCQYMHSA-N 0 0 230.229 3.723 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(C)cc1F ZINC000233326592 342856677 /nfs/dbraw/zinc/85/66/77/342856677.db2.gz AYLUSOHFJGUWGL-JTQLQIEISA-N 0 0 208.276 3.753 10 0 BHAERN CCC[C@H](C)C(=O)c1ccc(OC(F)F)cc1 ZINC000233326671 342856441 /nfs/dbraw/zinc/85/64/41/342856441.db2.gz RTURIBPIBPXIMK-VIFPVBQESA-N 0 0 242.265 3.907 10 0 BHAERN CCC[C@H](C)C(=O)c1cccc(OC(F)F)c1 ZINC000233326745 342856696 /nfs/dbraw/zinc/85/66/96/342856696.db2.gz VVVPUXPIDORNAF-VIFPVBQESA-N 0 0 242.265 3.907 10 0 BHAERN CCC[C@H](C)C(=O)c1ccccc1CC ZINC000233326767 342856567 /nfs/dbraw/zinc/85/65/67/342856567.db2.gz PRWXVGQXQSXWBB-NSHDSACASA-N 0 0 204.313 3.868 10 0 BHAERN CCC[C@H](C)C(=O)c1ccccc1OC(F)F ZINC000233326779 342856683 /nfs/dbraw/zinc/85/66/83/342856683.db2.gz JCCUOAMOKKZSQX-VIFPVBQESA-N 0 0 242.265 3.907 10 0 BHAERN CCC[C@H](C)c1cc2n(n1)[C@H](C)C[C@@H](C)N2 ZINC000233342176 541509199 /nfs/dbraw/zinc/50/91/99/541509199.db2.gz GQWLDZUURYIFQQ-HBNTYKKESA-N 0 0 221.348 3.552 10 0 BHAERN CCC[C@H](C)c1cc2n(n1)[C@@H](C)C[C@@H](C)N2 ZINC000233342183 541509153 /nfs/dbraw/zinc/50/91/53/541509153.db2.gz GQWLDZUURYIFQQ-AXFHLTTASA-N 0 0 221.348 3.552 10 0 BHAERN CCC[C@H]1CNc2c1cccc2Br ZINC000233365036 323946867 /nfs/dbraw/zinc/94/68/67/323946867.db2.gz CGJZSYPJLZZPPC-QMMMGPOBSA-N 0 0 240.144 3.758 10 0 BHAERN CCC[C@H]1CNc2ccc(OC(F)(F)F)cc21 ZINC000233365455 387158406 /nfs/dbraw/zinc/15/84/06/387158406.db2.gz IUPHCZSVRYNZTQ-QMMMGPOBSA-N 0 0 245.244 3.894 10 0 BHAERN CCC[C@H](O)c1scc(C)c1Cl ZINC000233394841 350676161 /nfs/dbraw/zinc/67/61/61/350676161.db2.gz STUDUNHMUQROOD-ZETCQYMHSA-N 0 0 204.722 3.543 10 0 BHAERN CCCc1ccc(C(=O)C(F)(F)C(F)F)cc1 ZINC000233395918 342859544 /nfs/dbraw/zinc/85/95/44/342859544.db2.gz MELFMDYKAYTYDI-UHFFFAOYSA-N 0 0 248.219 3.722 10 0 BHAERN CC[C@@H](C)CSCC(=O)c1ccccc1 ZINC000233823995 342887493 /nfs/dbraw/zinc/88/74/93/342887493.db2.gz IGQYHUXHKOHJDO-LLVKDONJSA-N 0 0 222.353 3.649 10 0 BHAERN CCSc1nc(Cl)nc2sc(C)cc21 ZINC000233824506 342887397 /nfs/dbraw/zinc/88/73/97/342887397.db2.gz GXGCRMVLCOFTGJ-UHFFFAOYSA-N 0 0 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ZINC000235539930 343995549 /nfs/dbraw/zinc/99/55/49/343995549.db2.gz AQWNFJPZTZRZAZ-IVGLGHLBSA-N 0 0 231.122 3.778 10 0 BHAERN C[C@H](Nc1nccc2occc21)C1CCCC1 ZINC000235546650 357878004 /nfs/dbraw/zinc/87/80/04/357878004.db2.gz NQMYYGSHMNTEHU-JTQLQIEISA-N 0 0 230.311 3.818 10 0 BHAERN C[C@H]1CC(C)(C)c2sc(Br)nc21 ZINC000235629069 344958972 /nfs/dbraw/zinc/95/89/72/344958972.db2.gz BGCDHNLASDFHFX-YFKPBYRVSA-N 0 0 246.173 3.690 10 0 BHAERN C[C@H]1CC(C)(C)c2sc(Cl)c(N)c21 ZINC000235629131 344959490 /nfs/dbraw/zinc/95/94/90/344959490.db2.gz GIEDOYLSJZFDMW-YFKPBYRVSA-N 0 0 215.749 3.769 10 0 BHAERN C[C@@H]1C(=O)C[C@@H]1c1cc(Cl)sc1Cl ZINC000235677336 345028565 /nfs/dbraw/zinc/02/85/65/345028565.db2.gz QZIMOTWPGAXRQB-WHFBIAKZSA-N 0 0 235.135 3.747 10 0 BHAERN C[C@@H]1C(=O)C[C@H]1c1cc(Cl)sc1Cl ZINC000235710125 345784018 /nfs/dbraw/zinc/78/40/18/345784018.db2.gz QZIMOTWPGAXRQB-CRCLSJGQSA-N 0 0 235.135 3.747 10 0 BHAERN Cc1csc([C@@H]2CS[C@H](C)[C@@H](C)S2)n1 ZINC000235719473 345793991 /nfs/dbraw/zinc/79/39/91/345793991.db2.gz QHGSNLZQXRSDOA-HLTSFMKQSA-N 0 0 245.438 3.750 10 0 BHAERN Cc1cc(Br)cc(C)c1NC1CC1 ZINC000235735473 345820376 /nfs/dbraw/zinc/82/03/76/345820376.db2.gz MOBMNLNJIFLOQJ-UHFFFAOYSA-N 0 0 240.144 3.640 10 0 BHAERN Cc1c[nH]c2c1cc(Cl)cc2Cl ZINC000235735482 345820334 /nfs/dbraw/zinc/82/03/34/345820334.db2.gz CBTDRVNEZNYNBM-UHFFFAOYSA-N 0 0 200.068 3.783 10 0 BHAERN Cc1cc(C)c(C(=O)C(F)(F)C(F)F)c(C)c1 ZINC000235743357 345842316 /nfs/dbraw/zinc/84/23/16/345842316.db2.gz BTJJWGAITXPITA-UHFFFAOYSA-N 0 0 248.219 3.695 10 0 BHAERN Cc1cc(C)c(C(=O)C(F)(F)C(F)F)cc1C ZINC000235743445 345842252 /nfs/dbraw/zinc/84/22/52/345842252.db2.gz MAFVBVKNRIXKFO-UHFFFAOYSA-N 0 0 248.219 3.695 10 0 BHAERN Cc1c(C)c(C)c(C(=O)C(F)F)c(C)c1C ZINC000235744323 345842343 /nfs/dbraw/zinc/84/23/43/345842343.db2.gz SVMWRRXIGGVFIJ-UHFFFAOYSA-N 0 0 226.266 3.677 10 0 BHAERN Cc1cc(F)ccc1-c1ccc(F)cc1C=O ZINC000235752403 582606354 /nfs/dbraw/zinc/60/63/54/582606354.db2.gz KICYHMNFGFAYCF-UHFFFAOYSA-N 0 0 232.229 3.753 10 0 BHAERN Cc1cccc(C)c1C(=O)Cc1ccccc1 ZINC000235766872 345851864 /nfs/dbraw/zinc/85/18/64/345851864.db2.gz KUGSVRWKDHORRY-UHFFFAOYSA-N 0 0 224.303 3.729 10 0 BHAERN Cc1cccc(C)c1C(=O)Cc1cccs1 ZINC000235767164 345852023 /nfs/dbraw/zinc/85/20/23/345852023.db2.gz YQIIBISMQDLAMH-UHFFFAOYSA-N 0 0 230.332 3.790 10 0 BHAERN Cc1cc(Cl)ccc1C(=O)OC(C)(C)C ZINC000235774514 344130246 /nfs/dbraw/zinc/13/02/46/344130246.db2.gz JKNDTXOAXSLGBX-UHFFFAOYSA-N 0 0 226.703 3.604 10 0 BHAERN Cc1cc(Cl)ccc1C(=O)c1cccs1 ZINC000235781627 345869704 /nfs/dbraw/zinc/86/97/04/345869704.db2.gz OBSWKYZRYOIZGT-UHFFFAOYSA-N 0 0 236.723 3.941 10 0 BHAERN Cc1ccc(C(=O)C(C)(C)C)c(Cl)c1 ZINC000235782532 345869919 /nfs/dbraw/zinc/86/99/19/345869919.db2.gz WONDLKHQYJBJME-UHFFFAOYSA-N 0 0 210.704 3.877 10 0 BHAERN Cc1ccc(C(=O)C(F)F)c2ccccc12 ZINC000235783311 345869953 /nfs/dbraw/zinc/86/99/53/345869953.db2.gz RDWIJUNMHCZQCE-UHFFFAOYSA-N 0 0 220.218 3.596 10 0 BHAERN Cc1cc(Cl)ccc1-c1nc(C=O)cs1 ZINC000235787440 345870390 /nfs/dbraw/zinc/87/03/90/345870390.db2.gz FSXGDCNUQWTBLK-UHFFFAOYSA-N 0 0 237.711 3.584 10 0 BHAERN Cc1cc(Cl)ccc1-c1nccc(Cl)n1 ZINC000235789238 345869956 /nfs/dbraw/zinc/86/99/56/345869956.db2.gz KHTXFLIDYBVLDY-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN Cc1cc(SC(C)(C)C)c(N)cc1F ZINC000235792063 345905005 /nfs/dbraw/zinc/90/50/05/345905005.db2.gz YWAKVIUUQTZHNJ-UHFFFAOYSA-N 0 0 213.321 3.607 10 0 BHAERN Cc1cc(Cl)ccc1C(=O)C1CCC1 ZINC000235796663 345904948 /nfs/dbraw/zinc/90/49/48/345904948.db2.gz RRNKFMQHNGVBPK-UHFFFAOYSA-N 0 0 208.688 3.631 10 0 BHAERN Cc1sccc1C(=O)c1ccoc1Cl ZINC000235810097 345916554 /nfs/dbraw/zinc/91/65/54/345916554.db2.gz ZYUJKAUFNITHCM-UHFFFAOYSA-N 0 0 226.684 3.534 10 0 BHAERN Cc1ccsc1-c1cc(=S)cc[nH]1 ZINC000235819670 345923893 /nfs/dbraw/zinc/92/38/93/345923893.db2.gz LETRLOAYIABDEC-UHFFFAOYSA-N 0 0 207.323 3.781 10 0 BHAERN Cc1sccc1-c1cc(=S)cc[nH]1 ZINC000235823766 345937427 /nfs/dbraw/zinc/93/74/27/345937427.db2.gz AEKSLQZLPFESBH-UHFFFAOYSA-N 0 0 207.323 3.781 10 0 BHAERN Cc1csc(C(=O)C(C)(C)C)c1Cl ZINC000235825667 344141345 /nfs/dbraw/zinc/14/13/45/344141345.db2.gz YTLJDXCGEHOSQH-UHFFFAOYSA-N 0 0 216.733 3.939 10 0 BHAERN Cc1cc(C)c(NC2CC2)c(Br)c1 ZINC000235826119 345937420 /nfs/dbraw/zinc/93/74/20/345937420.db2.gz NVSUUOGOMFGAQW-UHFFFAOYSA-N 0 0 240.144 3.640 10 0 BHAERN Cc1cc(Cl)c(NC2CC2)cc1Cl ZINC000235829090 345938732 /nfs/dbraw/zinc/93/87/32/345938732.db2.gz IZMSPUBQEIQTBZ-UHFFFAOYSA-N 0 0 216.111 3.876 10 0 BHAERN Cc1csc(C(=O)OC(C)(C)C)c1Cl ZINC000235832784 344143350 /nfs/dbraw/zinc/14/33/50/344143350.db2.gz PHQVOPNFMKLQLV-UHFFFAOYSA-N 0 0 232.732 3.665 10 0 BHAERN Cc1c(Cl)nc([C@@H]2CC2(C)C)nc1Cl ZINC000235834275 344143856 /nfs/dbraw/zinc/14/38/56/344143856.db2.gz CHFWZVHWJCPYEY-LURJTMIESA-N 0 0 231.126 3.605 10 0 BHAERN Cc1c(Cl)nc([C@H]2CC2(C)C)nc1Cl ZINC000235834434 345945198 /nfs/dbraw/zinc/94/51/98/345945198.db2.gz CHFWZVHWJCPYEY-ZCFIWIBFSA-N 0 0 231.126 3.605 10 0 BHAERN Cc1cc(C)c(C(=O)c2ccc(Cl)o2)s1 ZINC000235849544 345947942 /nfs/dbraw/zinc/94/79/42/345947942.db2.gz NPMFPBKMLSQVOO-UHFFFAOYSA-N 0 0 240.711 3.842 10 0 BHAERN Cc1cc(-c2cc(=S)cc[nH]2)cs1 ZINC000235851174 345949077 /nfs/dbraw/zinc/94/90/77/345949077.db2.gz LAZDBVBWPGZUJB-UHFFFAOYSA-N 0 0 207.323 3.781 10 0 BHAERN Cc1cc(NCc2ccccc2)c(C)cc1O ZINC000235854699 345949147 /nfs/dbraw/zinc/94/91/47/345949147.db2.gz ZPQODJDXSQUBQB-UHFFFAOYSA-N 0 0 227.307 3.621 10 0 BHAERN Cc1ccc(C(=O)C2CCC2)c(Cl)c1 ZINC000235854880 345948999 /nfs/dbraw/zinc/94/89/99/345948999.db2.gz MTCYHZUXUFUUDX-UHFFFAOYSA-N 0 0 208.688 3.631 10 0 BHAERN Cc1ccc(C(=O)c2ccc(Cl)o2)s1 ZINC000235859903 345949865 /nfs/dbraw/zinc/94/98/65/345949865.db2.gz YRMVKVXZBMSZBB-UHFFFAOYSA-N 0 0 226.684 3.534 10 0 BHAERN Cc1cc(NC(=O)C2(C)CCCC2)c(C)cc1O ZINC000235861315 178125036 /nfs/dbraw/zinc/12/50/36/178125036.db2.gz YRXICWHIZBMSCT-UHFFFAOYSA-N 0 0 247.338 3.528 10 0 BHAERN Cc1ccc(C(=O)c2ccoc2Cl)s1 ZINC000235866425 345951291 /nfs/dbraw/zinc/95/12/91/345951291.db2.gz ONDZNUOQUQSILX-UHFFFAOYSA-N 0 0 226.684 3.534 10 0 BHAERN Cc1occc1Sc1csc(C=O)c1 ZINC000235866463 345951239 /nfs/dbraw/zinc/95/12/39/345951239.db2.gz BOOKAFKVCXQYBY-UHFFFAOYSA-N 0 0 224.306 3.613 10 0 BHAERN Cc1occc1Sc1nc(Cl)cs1 ZINC000235867484 345948936 /nfs/dbraw/zinc/94/89/36/345948936.db2.gz GZSDXQGOBACIQQ-UHFFFAOYSA-N 0 0 231.729 3.849 10 0 BHAERN Cc1ccc(-c2cc(=S)cc[nH]2)s1 ZINC000235882378 345957730 /nfs/dbraw/zinc/95/77/30/345957730.db2.gz GWQVADNNRIYFNT-UHFFFAOYSA-N 0 0 207.323 3.781 10 0 BHAERN Cc1ccc(-c2cc(F)ccc2C=O)s1 ZINC000235887370 344266686 /nfs/dbraw/zinc/26/66/86/344266686.db2.gz BBBOGFVAJYEFBS-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN Cc1cc2occc2c(C)c1Br ZINC000235887614 344266697 /nfs/dbraw/zinc/26/66/97/344266697.db2.gz XAQVTTVZWCZJHK-UHFFFAOYSA-N 0 0 225.085 3.812 10 0 BHAERN Cc1ccc(SC2CCCC2)c(C=O)c1 ZINC000235894357 344267450 /nfs/dbraw/zinc/26/74/50/344267450.db2.gz IZUKJBPJRUJCKA-UHFFFAOYSA-N 0 0 220.337 3.842 10 0 BHAERN Cc1csc(-c2cc(C)ccc2F)n1 ZINC000235902774 345956692 /nfs/dbraw/zinc/95/66/92/345956692.db2.gz GPKJTLXNRVMQNB-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN Cc1ccc2ccccc2c1C(=O)C(F)F ZINC000235904020 345956841 /nfs/dbraw/zinc/95/68/41/345956841.db2.gz AYJUDRWJMMYIMI-UHFFFAOYSA-N 0 0 220.218 3.596 10 0 BHAERN Cc1cc(F)c(NCc2ccccc2)cc1F ZINC000235907539 345956716 /nfs/dbraw/zinc/95/67/16/345956716.db2.gz GERVLGVAZAGNKJ-UHFFFAOYSA-N 0 0 233.261 3.885 10 0 BHAERN Cc1ccc(-c2nccc(Cl)n2)cc1Cl ZINC000235916070 345965248 /nfs/dbraw/zinc/96/52/48/345965248.db2.gz MQYSTQNNZVORFY-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN Cc1ccc(-c2nnc(Cl)s2)c(Cl)c1 ZINC000235918342 345965661 /nfs/dbraw/zinc/96/56/61/345965661.db2.gz NMBQXCONMDCVKA-UHFFFAOYSA-N 0 0 245.134 3.820 10 0 BHAERN Cc1cc(F)c2nc(Cl)c(C)cc2c1F ZINC000235928692 345965652 /nfs/dbraw/zinc/96/56/52/345965652.db2.gz COGFUCROQYBWHP-UHFFFAOYSA-N 0 0 227.641 3.783 10 0 BHAERN Cc1csc([C@@H](O)C2CCC2)c1Cl ZINC000235942728 350726939 /nfs/dbraw/zinc/72/69/39/350726939.db2.gz HKVXDHAPEGVZTE-VIFPVBQESA-N 0 0 216.733 3.543 10 0 BHAERN Cc1cnc(Cl)c(NCc2ccccc2)c1 ZINC000235951891 346174812 /nfs/dbraw/zinc/17/48/12/346174812.db2.gz JDAGYJIVYWUKJL-UHFFFAOYSA-N 0 0 232.714 3.656 10 0 BHAERN Cc1csc(C(=O)C2CCC2)c1Cl ZINC000235952947 346175159 /nfs/dbraw/zinc/17/51/59/346175159.db2.gz NMHBMPCPKSDIIV-UHFFFAOYSA-N 0 0 214.717 3.693 10 0 BHAERN Cc1csc([C@H](O)C2CCC2)c1Cl ZINC000235954220 346175135 /nfs/dbraw/zinc/17/51/35/346175135.db2.gz HKVXDHAPEGVZTE-SECBINFHSA-N 0 0 216.733 3.543 10 0 BHAERN Cc1ncc(C(=O)C2CCCCCC2)s1 ZINC000235963934 346176167 /nfs/dbraw/zinc/17/61/67/346176167.db2.gz LCURQJBPUZHYDY-UHFFFAOYSA-N 0 0 223.341 3.605 10 0 BHAERN Cc1ncc(C(=O)CC2CCCCC2)s1 ZINC000235963974 346176213 /nfs/dbraw/zinc/17/62/13/346176213.db2.gz LSNMTZKELRHVDM-UHFFFAOYSA-N 0 0 223.341 3.605 10 0 BHAERN Cc1csc(C(=O)[C@@H]2CCCS2)c1Cl ZINC000235968343 346176083 /nfs/dbraw/zinc/17/60/83/346176083.db2.gz CENQSQGESKVZQD-ZETCQYMHSA-N 0 0 246.784 3.788 10 0 BHAERN Cc1csc(C(=O)[C@H]2CCCS2)c1Cl ZINC000235968532 346176026 /nfs/dbraw/zinc/17/60/26/346176026.db2.gz CENQSQGESKVZQD-SSDOTTSWSA-N 0 0 246.784 3.788 10 0 BHAERN Cc1ccc2cc(-c3ccc(C=O)o3)ccc2n1 ZINC000236005088 635592455 /nfs/dbraw/zinc/59/24/55/635592455.db2.gz QCZWSSWOQBLLIY-UHFFFAOYSA-N 0 0 237.258 3.616 10 0 BHAERN C=Cc1cc(Br)ccc1Cl ZINC000236028179 582636383 /nfs/dbraw/zinc/63/63/83/582636383.db2.gz MGPYVEJVRWPGJQ-UHFFFAOYSA-N 0 0 217.493 3.746 10 0 BHAERN Clc1ccc(Br)cc1NC1CC1 ZINC000236033526 346185241 /nfs/dbraw/zinc/18/52/41/346185241.db2.gz WKKCOKLHBQPBGZ-UHFFFAOYSA-N 0 0 246.535 3.677 10 0 BHAERN O=C(CC1CCSCC1)c1ccoc1Cl ZINC000236035760 346185243 /nfs/dbraw/zinc/18/52/43/346185243.db2.gz ZSKMFAKXYBIKMM-UHFFFAOYSA-N 0 0 244.743 3.649 10 0 BHAERN C=Cc1ccc(Br)c(Cl)c1 ZINC000236035898 344284600 /nfs/dbraw/zinc/28/46/00/344284600.db2.gz RLUSNAAVDCMDLN-UHFFFAOYSA-N 0 0 217.493 3.746 10 0 BHAERN O=C(CSCc1ccccc1Cl)C1CC1 ZINC000236039577 363452985 /nfs/dbraw/zinc/45/29/85/363452985.db2.gz AWEMMDXDQDKCIZ-UHFFFAOYSA-N 0 0 240.755 3.552 10 0 BHAERN O=C1CC[C@@H](SCc2ccccc2Cl)C1 ZINC000236041234 346185983 /nfs/dbraw/zinc/18/59/83/346185983.db2.gz NKKSBFYMZCOVIU-LLVKDONJSA-N 0 0 240.755 3.695 10 0 BHAERN O=C1CCC[C@H]1SCc1ccccc1Cl ZINC000236041256 346185879 /nfs/dbraw/zinc/18/58/79/346185879.db2.gz ZXPAMIUOKKQDPC-GFCCVEGCSA-N 0 0 240.755 3.695 10 0 BHAERN O=C1CC[C@H](SCc2ccccc2Cl)C1 ZINC000236041427 346185809 /nfs/dbraw/zinc/18/58/09/346185809.db2.gz NKKSBFYMZCOVIU-NSHDSACASA-N 0 0 240.755 3.695 10 0 BHAERN O=C1CCC[C@@H]1SCc1ccccc1Cl ZINC000236041445 346185838 /nfs/dbraw/zinc/18/58/38/346185838.db2.gz ZXPAMIUOKKQDPC-LBPRGKRZSA-N 0 0 240.755 3.695 10 0 BHAERN O=Cc1cc(-c2ccsc2)ccc1Cl ZINC000236041964 346186321 /nfs/dbraw/zinc/18/63/21/346186321.db2.gz VUNNHTXNRCSFKS-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN Clc1cc(-c2ccc(Cl)nn2)cs1 ZINC000236042313 344287702 /nfs/dbraw/zinc/28/77/02/344287702.db2.gz WODVGQWSBHZTEI-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN O=C1CC(c2cc(Cl)sc2Cl)C1 ZINC000236045547 346186377 /nfs/dbraw/zinc/18/63/77/346186377.db2.gz IDULHOWKNMQLFE-UHFFFAOYSA-N 0 0 221.108 3.501 10 0 BHAERN O=C(c1ccc(Cl)o1)c1ccccc1Cl ZINC000236046976 346186586 /nfs/dbraw/zinc/18/65/86/346186586.db2.gz YBMWTIZQIDIRMZ-UHFFFAOYSA-N 0 0 241.073 3.817 10 0 BHAERN Clc1cccc(NC2CC2)c1Br ZINC000236047414 346186568 /nfs/dbraw/zinc/18/65/68/346186568.db2.gz XHNWGVZFMOBYLY-UHFFFAOYSA-N 0 0 246.535 3.677 10 0 BHAERN O=C(c1ccc(Cl)o1)c1sccc1Cl ZINC000236047804 344287548 /nfs/dbraw/zinc/28/75/48/344287548.db2.gz AICPMHVHUHFCQD-UHFFFAOYSA-N 0 0 247.102 3.879 10 0 BHAERN Clc1n[nH]c2c1c(Cl)ccc2Cl ZINC000236048261 344287536 /nfs/dbraw/zinc/28/75/36/344287536.db2.gz DDTWORNYUQNINZ-UHFFFAOYSA-N 0 0 221.474 3.523 10 0 BHAERN Clc1cccc(N[C@H]2C=CCCC2)c1 ZINC000236055044 410568585 /nfs/dbraw/zinc/56/85/85/410568585.db2.gz POHIXDSSHMJEIK-NSHDSACASA-N 0 0 207.704 3.861 10 0 BHAERN Clc1cccc(N[C@@H]2C=CCCC2)c1 ZINC000236055627 410569223 /nfs/dbraw/zinc/56/92/23/410569223.db2.gz POHIXDSSHMJEIK-LLVKDONJSA-N 0 0 207.704 3.861 10 0 BHAERN Clc1ccc(NC2CC2)c(Br)c1 ZINC000236056014 344289449 /nfs/dbraw/zinc/28/94/49/344289449.db2.gz NGVDCZQCTMWKLX-UHFFFAOYSA-N 0 0 246.535 3.677 10 0 BHAERN Clc1ccc(Cl)c([C@@H]2NCCCS2)c1 ZINC000236060708 346187134 /nfs/dbraw/zinc/18/71/34/346187134.db2.gz ZDABRLFEHRHNKA-SNVBAGLBSA-N 0 0 248.178 3.719 10 0 BHAERN Clc1ccc(Cl)c([C@H]2NCCCS2)c1 ZINC000236061350 346187150 /nfs/dbraw/zinc/18/71/50/346187150.db2.gz ZDABRLFEHRHNKA-JTQLQIEISA-N 0 0 248.178 3.719 10 0 BHAERN Clc1cccc2c1NC[C@@H]2C1CCC1 ZINC000236068640 344293221 /nfs/dbraw/zinc/29/32/21/344293221.db2.gz WRQCSXZNPDBHDH-SNVBAGLBSA-N 0 0 207.704 3.649 10 0 BHAERN Clc1cccc2c1NC[C@H]2C1CCC1 ZINC000236068911 346187622 /nfs/dbraw/zinc/18/76/22/346187622.db2.gz WRQCSXZNPDBHDH-JTQLQIEISA-N 0 0 207.704 3.649 10 0 BHAERN O=C(c1cc(Cl)sc1Cl)C(F)F ZINC000236146531 346198156 /nfs/dbraw/zinc/19/81/56/346198156.db2.gz IAEYDNXLRUMVBR-UHFFFAOYSA-N 0 0 231.050 3.503 10 0 BHAERN FC(F)Sc1ccccc1NC1CC1 ZINC000236149295 346197799 /nfs/dbraw/zinc/19/77/99/346197799.db2.gz ZFGFZDMZPGDGAW-UHFFFAOYSA-N 0 0 215.268 3.576 10 0 BHAERN FC(F)Cn1ccc2cccc(Cl)c21 ZINC000236151857 350730711 /nfs/dbraw/zinc/73/07/11/350730711.db2.gz GAQYYQBQNDVHOA-UHFFFAOYSA-N 0 0 215.630 3.560 10 0 BHAERN O=Cc1occc1-c1ccc(Cl)cc1F ZINC000236152136 344303168 /nfs/dbraw/zinc/30/31/68/344303168.db2.gz BGAUTFANSZJQJQ-UHFFFAOYSA-N 0 0 224.618 3.552 10 0 BHAERN Fc1ccc(-c2cc(=S)cc[nH]2)cc1 ZINC000236155554 346200528 /nfs/dbraw/zinc/20/05/28/346200528.db2.gz DKWLMQLEXCFKDT-UHFFFAOYSA-N 0 0 205.257 3.550 10 0 BHAERN FCCCn1ccc2cccc(Cl)c21 ZINC000236172162 344307144 /nfs/dbraw/zinc/30/71/44/344307144.db2.gz FHOZYLBLZRQHQF-UHFFFAOYSA-N 0 0 211.667 3.654 10 0 BHAERN Fc1cc(Cl)c(NC2CC2)c(Cl)c1 ZINC000236200987 346209811 /nfs/dbraw/zinc/20/98/11/346209811.db2.gz RPTKHWONCPPZFE-UHFFFAOYSA-N 0 0 220.074 3.707 10 0 BHAERN O=Cc1cc(F)cc(SC2CCCC2)c1 ZINC000236210309 346209704 /nfs/dbraw/zinc/20/97/04/346209704.db2.gz CIXWGXZJTXWSHP-UHFFFAOYSA-N 0 0 224.300 3.673 10 0 BHAERN Fc1cc(F)c(SC2CCCC2)nc1F ZINC000236213826 346211335 /nfs/dbraw/zinc/21/13/35/346211335.db2.gz UWNYPWRACVNFKG-UHFFFAOYSA-N 0 0 233.258 3.534 10 0 BHAERN Fc1cc(Cl)c2cc(Cl)ncc2c1 ZINC000236217808 384262054 /nfs/dbraw/zinc/26/20/54/384262054.db2.gz LKVINENFMCNQSL-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN Fc1cc(Cl)c2ccnc(Cl)c2c1 ZINC000236218032 346211459 /nfs/dbraw/zinc/21/14/59/346211459.db2.gz XWJVZDXUWSCPDH-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN O=Cc1ccc(-c2cc(F)ccc2Cl)o1 ZINC000236219340 346211415 /nfs/dbraw/zinc/21/14/15/346211415.db2.gz PFKVULKAYJSMPD-UHFFFAOYSA-N 0 0 224.618 3.552 10 0 BHAERN O=C(c1cccs1)c1ccc(Cl)c(F)c1 ZINC000236234853 346213534 /nfs/dbraw/zinc/21/35/34/346213534.db2.gz SPROSVDHWAQLGD-UHFFFAOYSA-N 0 0 240.686 3.772 10 0 BHAERN N[C@@H](c1ccc(Cl)o1)c1sccc1Cl ZINC000236302161 346225105 /nfs/dbraw/zinc/22/51/05/346225105.db2.gz RZVLJEPQUIAANP-QMMMGPOBSA-N 0 0 248.134 3.696 10 0 BHAERN N[C@H](c1ccc(Cl)o1)c1sccc1Cl ZINC000236317799 346224765 /nfs/dbraw/zinc/22/47/65/346224765.db2.gz RZVLJEPQUIAANP-MRVPVSSYSA-N 0 0 248.134 3.696 10 0 BHAERN Nc1cc(Cl)c(OC2CCC2)c(Cl)c1 ZINC000236359721 346229293 /nfs/dbraw/zinc/22/92/93/346229293.db2.gz IXSBTXPZWWXEGE-UHFFFAOYSA-N 0 0 232.110 3.507 10 0 BHAERN Nc1csc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000236378900 346231660 /nfs/dbraw/zinc/23/16/60/346231660.db2.gz XIUODQRORVFWSG-UHFFFAOYSA-N 0 0 245.134 3.699 10 0 BHAERN O=C1Nc2ccccc2[C@@H]1C1CCCCCC1 ZINC000236407961 343097567 /nfs/dbraw/zinc/09/75/67/343097567.db2.gz LURDPAGOWLQDHE-AWEZNQCLSA-N 0 0 229.323 3.693 10 0 BHAERN O=C1Nc2ccccc2[C@H]1C1CCCCCC1 ZINC000236408073 343097533 /nfs/dbraw/zinc/09/75/33/343097533.db2.gz LURDPAGOWLQDHE-CQSZACIVSA-N 0 0 229.323 3.693 10 0 BHAERN O=Cc1ccc(-c2cccc3ccsc32)o1 ZINC000236425736 632937096 /nfs/dbraw/zinc/93/70/96/632937096.db2.gz PSHLFSVROALQTN-UHFFFAOYSA-N 0 0 228.272 3.974 10 0 BHAERN O=Cc1ccc(-c2cc3ccccc3o2)o1 ZINC000236425802 632936670 /nfs/dbraw/zinc/93/66/70/632936670.db2.gz BQCRYWDBWIDIFK-UHFFFAOYSA-N 0 0 212.204 3.505 10 0 BHAERN O=Cc1ccc(-c2ccc3c(c2)CCCC3)o1 ZINC000236425838 632938463 /nfs/dbraw/zinc/93/84/63/632938463.db2.gz XFSOFCRMSYLCSZ-UHFFFAOYSA-N 0 0 226.275 3.638 10 0 BHAERN OC1CCC(Nc2cccc3ccccc32)CC1 ZINC000236487285 183029331 /nfs/dbraw/zinc/02/93/31/183029331.db2.gz FTRVNLVPEHCVJO-UHFFFAOYSA-N 0 0 241.334 3.555 10 0 BHAERN O[C@H](c1cc(Cl)cs1)C1=CCCCC1 ZINC000236515500 344394017 /nfs/dbraw/zinc/39/40/17/344394017.db2.gz WDTARQAPVPNEKA-NSHDSACASA-N 0 0 228.744 3.935 10 0 BHAERN O[C@@H](c1cc(Cl)cs1)C1=CCCCC1 ZINC000236559389 346250869 /nfs/dbraw/zinc/25/08/69/346250869.db2.gz WDTARQAPVPNEKA-LLVKDONJSA-N 0 0 228.744 3.935 10 0 BHAERN S=C1N=C(c2ccc(Cl)c(Cl)c2)CO1 ZINC000236574072 346251239 /nfs/dbraw/zinc/25/12/39/346251239.db2.gz JFZPNGCURHMOQZ-UHFFFAOYSA-N 0 0 246.118 3.937 10 0 BHAERN S=C1N=C(c2cccc(Cl)c2Cl)CO1 ZINC000236575153 344398170 /nfs/dbraw/zinc/39/81/70/344398170.db2.gz LEXBLXVNHLLTTI-UHFFFAOYSA-N 0 0 246.118 3.937 10 0 BHAERN S=C1N=C(c2csc(Cl)c2)CS1 ZINC000236578016 346252228 /nfs/dbraw/zinc/25/22/28/346252228.db2.gz YGXYEQOYYKJNGF-UHFFFAOYSA-N 0 0 233.770 3.814 10 0 BHAERN S=c1cccc(-c2ccc(Cl)s2)[nH]1 ZINC000236706975 346295213 /nfs/dbraw/zinc/29/52/13/346295213.db2.gz UBHIESBHFJJQFX-UHFFFAOYSA-N 0 0 227.741 3.752 10 0 BHAERN Brc1cccnc1-c1cccs1 ZINC000237964757 360129525 /nfs/dbraw/zinc/12/95/25/360129525.db2.gz FYGCYRCACNTCFT-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1cccnc1-c1ccsc1 ZINC000237964841 360130606 /nfs/dbraw/zinc/13/06/06/360130606.db2.gz ZFOLJWLINPWMLF-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1ncccc1C1CCCC1 ZINC000237976736 387218643 /nfs/dbraw/zinc/21/86/43/387218643.db2.gz DHTWHVMXDRPPGV-UHFFFAOYSA-N 0 0 226.117 3.502 10 0 BHAERN Brc1ncccc1C1CCCCC1 ZINC000237976779 387217673 /nfs/dbraw/zinc/21/76/73/387217673.db2.gz BGZCNDUTIMGYIN-UHFFFAOYSA-N 0 0 240.144 3.892 10 0 BHAERN Brc1ncccc1-c1cccs1 ZINC000237978337 360216731 /nfs/dbraw/zinc/21/67/31/360216731.db2.gz GVGGLUAQYZVWPR-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Brc1ncccc1-c1ccsc1 ZINC000237978475 360217019 /nfs/dbraw/zinc/21/70/19/360217019.db2.gz HKJRFPLIRIYGFJ-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN CC(C)(C)OC(=O)n1c(Cl)ccc1Cl ZINC000238104478 344970167 /nfs/dbraw/zinc/97/01/67/344970167.db2.gz AMKHQKHQRGNCOZ-UHFFFAOYSA-N 0 0 236.098 3.578 10 0 BHAERN CC(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000238134191 360607775 /nfs/dbraw/zinc/60/77/75/360607775.db2.gz TWLUWOSORHATSW-UHFFFAOYSA-N 0 0 222.593 3.561 10 0 BHAERN CC(C)(C)[C@@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000238136071 642788213 /nfs/dbraw/zinc/78/82/13/642788213.db2.gz GDFYHRDZTMTTNQ-JTQLQIEISA-N 0 0 248.153 3.745 10 0 BHAERN CC(C)(C)[C@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000238171979 642792054 /nfs/dbraw/zinc/79/20/54/642792054.db2.gz GDFYHRDZTMTTNQ-SNVBAGLBSA-N 0 0 248.153 3.745 10 0 BHAERN CC(C)c1nc(Cl)ccc1Br ZINC000238180790 344983368 /nfs/dbraw/zinc/98/33/68/344983368.db2.gz CIWCPCSRRKRYBT-UHFFFAOYSA-N 0 0 234.524 3.621 10 0 BHAERN CC(C)(C)OC(=O)Nc1cncc2ccccc21 ZINC000238208556 360705098 /nfs/dbraw/zinc/70/50/98/360705098.db2.gz ARXGNDZPDQNNBP-UHFFFAOYSA-N 0 0 244.294 3.582 10 0 BHAERN CC(C)c1cccc([C@@H]2CCCC2=O)c1 ZINC000238218017 642800035 /nfs/dbraw/zinc/80/00/35/642800035.db2.gz LLKPTHDOSJJAFV-ZDUSSCGKSA-N 0 0 202.297 3.647 10 0 BHAERN CC(C)c1cccc([C@H]2CCCC2=O)c1 ZINC000238218240 642799387 /nfs/dbraw/zinc/79/93/87/642799387.db2.gz LLKPTHDOSJJAFV-CYBMUJFWSA-N 0 0 202.297 3.647 10 0 BHAERN CC(C)c1cc(Br)cnc1Cl ZINC000238226747 344991487 /nfs/dbraw/zinc/99/14/87/344991487.db2.gz GEPJGFHQLMFVAF-UHFFFAOYSA-N 0 0 234.524 3.621 10 0 BHAERN CCC(=O)c1c(Cl)cccc1Br ZINC000238238443 360737180 /nfs/dbraw/zinc/73/71/80/360737180.db2.gz DCRBYBDFKNAUOI-UHFFFAOYSA-N 0 0 247.519 3.695 10 0 BHAERN CCC(=O)c1ccc(C(F)(F)F)c(Cl)c1 ZINC000238242335 360744960 /nfs/dbraw/zinc/74/49/60/360744960.db2.gz SOHBSDWPNGMPOK-UHFFFAOYSA-N 0 0 236.620 3.952 10 0 BHAERN CCC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000238243112 344999223 /nfs/dbraw/zinc/99/92/23/344999223.db2.gz UNZZNMSMYSQABG-UHFFFAOYSA-N 0 0 236.620 3.952 10 0 BHAERN CCC(=O)c1cccc(Cl)c1C(F)(F)F ZINC000238245524 344997731 /nfs/dbraw/zinc/99/77/31/344997731.db2.gz IYWRRZUBCWYNQP-UHFFFAOYSA-N 0 0 236.620 3.952 10 0 BHAERN CCCCCc1cccc2c(C=O)c[nH]c21 ZINC000238248708 343252937 /nfs/dbraw/zinc/25/29/37/343252937.db2.gz LULIYAXQLMPOMH-UHFFFAOYSA-N 0 0 215.296 3.713 10 0 BHAERN CC[C@](C)(Br)Cc1ccccc1 ZINC000238274787 345003715 /nfs/dbraw/zinc/00/37/15/345003715.db2.gz IKFZULNYVXHGGT-NSHDSACASA-N 0 0 227.145 3.793 10 0 BHAERN CCC1=N[C@H](CC)S[C@H](CC)S1 ZINC000238280103 386461887 /nfs/dbraw/zinc/46/18/87/386461887.db2.gz OTBAROKLHZCHGJ-CBAPKCEASA-N 0 0 203.376 3.747 10 0 BHAERN CCC1=N[C@@H](CC)S[C@H](CC)S1 ZINC000238280273 386462042 /nfs/dbraw/zinc/46/20/42/386462042.db2.gz OTBAROKLHZCHGJ-APPZFPTMSA-N 0 0 203.376 3.747 10 0 BHAERN CC[C@@](C)(Br)Cc1ccccc1 ZINC000238286445 360781310 /nfs/dbraw/zinc/78/13/10/360781310.db2.gz IKFZULNYVXHGGT-LLVKDONJSA-N 0 0 227.145 3.793 10 0 BHAERN CCC1=N[C@H](CC)S[C@@H](CC)S1 ZINC000238293828 386464253 /nfs/dbraw/zinc/46/42/53/386464253.db2.gz OTBAROKLHZCHGJ-IONNQARKSA-N 0 0 203.376 3.747 10 0 BHAERN CCC1=N[C@@H](CC)S[C@@H](CC)S1 ZINC000238293914 386464855 /nfs/dbraw/zinc/46/48/55/386464855.db2.gz OTBAROKLHZCHGJ-VXNVDRBHSA-N 0 0 203.376 3.747 10 0 BHAERN CCc1cc(Cc2ccc(Cl)cc2)c[nH]1 ZINC000238308223 343255311 /nfs/dbraw/zinc/25/53/11/343255311.db2.gz FQLTUATWXVHPGX-UHFFFAOYSA-N 0 0 219.715 3.821 10 0 BHAERN COc1cc2ccccc2c(C(F)F)c1 ZINC000238346114 345026711 /nfs/dbraw/zinc/02/67/11/345026711.db2.gz MJQDETLLYKOJOC-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN COc1c2ccccc2ccc1C(F)F ZINC000238347270 360909133 /nfs/dbraw/zinc/90/91/33/360909133.db2.gz DITILGVFRJDOPB-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN COc1cc(C(F)F)cc2ccccc21 ZINC000238348382 360910173 /nfs/dbraw/zinc/91/01/73/360910173.db2.gz NLBWYUSYQCDTBV-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN COc1ccc2c(cccc2C(F)F)c1 ZINC000238367457 360950096 /nfs/dbraw/zinc/95/00/96/360950096.db2.gz VWIISEHNSMXYTA-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN COc1ccc2cc(C(F)F)ccc2c1 ZINC000238373245 360979639 /nfs/dbraw/zinc/97/96/39/360979639.db2.gz SGGZONFBOIHTNV-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN COc1ccc2ccc(C(F)F)cc2c1 ZINC000238375455 360980371 /nfs/dbraw/zinc/98/03/71/360980371.db2.gz LVCYVUVBRZZTEO-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN COc1ccc2cccc(C(F)F)c2c1 ZINC000238375886 345033297 /nfs/dbraw/zinc/03/32/97/345033297.db2.gz MWTYKNJBIQZYTA-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN COc1ccc2ccccc2c1C(F)F ZINC000238376102 360980060 /nfs/dbraw/zinc/98/00/60/360980060.db2.gz HUZCFBMTQAFJIL-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN COc1cccc2c1cccc2C(F)F ZINC000238401842 360996441 /nfs/dbraw/zinc/99/64/41/360996441.db2.gz JHYYZXVRRWUZGG-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN COc1cccc2cc(C(F)F)ccc21 ZINC000238404193 345041942 /nfs/dbraw/zinc/04/19/42/345041942.db2.gz SPUKWVZOEUSHIB-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN CSc1cc(C)c(Br)cc1C ZINC000238404385 345042009 /nfs/dbraw/zinc/04/20/09/345042009.db2.gz TWGMXOCFGLVRNS-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN COc1cc2ccccc2cc1C(F)F ZINC000238404517 360996447 /nfs/dbraw/zinc/99/64/47/360996447.db2.gz TXKSWLYAVWODBG-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN COc1cccc2ccc(C(F)F)cc21 ZINC000238405396 360996623 /nfs/dbraw/zinc/99/66/23/360996623.db2.gz LXNDMSCPRNRXOZ-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN COc1cccc2cccc(C(F)F)c21 ZINC000238405630 345042085 /nfs/dbraw/zinc/04/20/85/345042085.db2.gz MJFFJLUSMYQFLW-UHFFFAOYSA-N 0 0 208.207 3.786 10 0 BHAERN CSc1cc(Cl)ccc1OC(F)(F)F ZINC000238406254 360996284 /nfs/dbraw/zinc/99/62/84/360996284.db2.gz SWZWNWMGGYCELE-UHFFFAOYSA-N 0 0 242.649 3.961 10 0 BHAERN CSc1ccc(CC(F)(F)F)cc1 ZINC000238411878 343257281 /nfs/dbraw/zinc/25/72/81/343257281.db2.gz KTNWIMFHQYJCJH-UHFFFAOYSA-N 0 0 206.232 3.513 10 0 BHAERN Cc1ccc(C(F)(F)F)c(C(F)F)c1 ZINC000238446302 345049580 /nfs/dbraw/zinc/04/95/80/345049580.db2.gz SQSBPHFEOMZFLE-UHFFFAOYSA-N 0 0 210.145 3.951 10 0 BHAERN Cc1ccc(C(F)(F)F)c(OC(F)F)c1 ZINC000238446558 361067995 /nfs/dbraw/zinc/06/79/95/361067995.db2.gz BNXHNQNMCJBRQC-UHFFFAOYSA-N 0 0 226.144 3.615 10 0 BHAERN Cc1ccc(C(F)(F)F)cc1C(F)F ZINC000238446927 345050386 /nfs/dbraw/zinc/05/03/86/345050386.db2.gz DUUCNWZYKQQIQJ-UHFFFAOYSA-N 0 0 210.145 3.951 10 0 BHAERN Cc1ccc(C(F)F)c(C(F)(F)F)c1 ZINC000238447443 345050466 /nfs/dbraw/zinc/05/04/66/345050466.db2.gz DQVNNNULQCZQEM-UHFFFAOYSA-N 0 0 210.145 3.951 10 0 BHAERN Cc1ccc(C(F)F)c(OC(F)(F)F)c1 ZINC000238447979 345050478 /nfs/dbraw/zinc/05/04/78/345050478.db2.gz JKRLILCPDPGSOW-UHFFFAOYSA-N 0 0 226.144 3.831 10 0 BHAERN Cc1ccc(C(F)F)cc1C(F)(F)F ZINC000238448098 361068086 /nfs/dbraw/zinc/06/80/86/361068086.db2.gz IKCLOWMYBUGPTL-UHFFFAOYSA-N 0 0 210.145 3.951 10 0 BHAERN Cc1ccc(C(F)F)cc1OC(F)(F)F ZINC000238448162 345050771 /nfs/dbraw/zinc/05/07/71/345050771.db2.gz QJANSLWYECPEPX-UHFFFAOYSA-N 0 0 226.144 3.831 10 0 BHAERN Cc1cccc2c(OC(F)F)cccc12 ZINC000238454814 361079748 /nfs/dbraw/zinc/07/97/48/361079748.db2.gz ZYYFRRFSBIWZLD-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN Cc1cccc2cc(OC(F)F)ccc12 ZINC000238456792 361079592 /nfs/dbraw/zinc/07/95/92/361079592.db2.gz BQYAKQAHNRXLSH-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN Cc1cccc2ccc(OC(F)F)cc12 ZINC000238457337 363488782 /nfs/dbraw/zinc/48/87/82/363488782.db2.gz HJIHDKSFUYRLJB-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN Cc1cccc2cccc(OC(F)F)c12 ZINC000238457653 363488984 /nfs/dbraw/zinc/48/89/84/363488984.db2.gz NOQWOWZWAVTDOC-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN Cc1cccc2nc(C(F)(F)F)sc21 ZINC000238458609 179230315 /nfs/dbraw/zinc/23/03/15/179230315.db2.gz HJUVWDCQVJIUDB-UHFFFAOYSA-N 0 0 217.215 3.624 10 0 BHAERN Cc1ccc(OC(F)(F)F)c(C(F)F)c1 ZINC000238462548 361086719 /nfs/dbraw/zinc/08/67/19/361086719.db2.gz HDAWNJCHCLFHBR-UHFFFAOYSA-N 0 0 226.144 3.831 10 0 BHAERN Cc1ccc(OC(F)(F)F)cc1C(F)F ZINC000238463241 361086908 /nfs/dbraw/zinc/08/69/08/361086908.db2.gz WUZOIUYKJOZWQY-UHFFFAOYSA-N 0 0 226.144 3.831 10 0 BHAERN Cc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000238463976 361086471 /nfs/dbraw/zinc/08/64/71/361086471.db2.gz UFFZXCWFDJNNKI-UHFFFAOYSA-N 0 0 226.144 3.615 10 0 BHAERN Cc1ccc(OC(F)F)cc1C(F)(F)F ZINC000238464160 361086527 /nfs/dbraw/zinc/08/65/27/361086527.db2.gz IZPOGLFNBPGIHN-UHFFFAOYSA-N 0 0 226.144 3.615 10 0 BHAERN Cc1cc(Br)cc2c(Cl)c[nH]c21 ZINC000238464467 345053447 /nfs/dbraw/zinc/05/34/47/345053447.db2.gz XGCPIGMBGCUSLW-UHFFFAOYSA-N 0 0 244.519 3.892 10 0 BHAERN Cc1cc(Br)ccc1C(F)F ZINC000238465773 361087961 /nfs/dbraw/zinc/08/79/61/361087961.db2.gz CZBYICKYTASGBW-UHFFFAOYSA-N 0 0 221.044 3.695 10 0 BHAERN Cc1nc2c(cccc2C(F)(F)F)s1 ZINC000238487359 180064409 /nfs/dbraw/zinc/06/44/09/180064409.db2.gz YWHRSUBHAOQCHP-UHFFFAOYSA-N 0 0 217.215 3.624 10 0 BHAERN Cc1nc2c(cccc2OC(F)(F)F)s1 ZINC000238493061 361128751 /nfs/dbraw/zinc/12/87/51/361128751.db2.gz OJNGQNFHZADFNI-UHFFFAOYSA-N 0 0 233.214 3.503 10 0 BHAERN Cc1ccc2[nH]cc(-c3ccncc3)c2c1 ZINC000238494533 343257358 /nfs/dbraw/zinc/25/73/58/343257358.db2.gz JFHLFTWYBSBBJN-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN Cc1cc(OC(F)(F)F)ccc1C(F)F ZINC000238494946 345060165 /nfs/dbraw/zinc/06/01/65/345060165.db2.gz IKZGCQDRPWDSNE-UHFFFAOYSA-N 0 0 226.144 3.831 10 0 BHAERN Cc1cc(C(F)(F)F)ccc1C(F)F ZINC000238495512 345060260 /nfs/dbraw/zinc/06/02/60/345060260.db2.gz KHPITHXWWLESSU-UHFFFAOYSA-N 0 0 210.145 3.951 10 0 BHAERN Cc1cc(C(F)(F)F)ccc1OC(F)F ZINC000238495662 363490029 /nfs/dbraw/zinc/49/00/29/363490029.db2.gz CTRNPSLGRTXNSQ-UHFFFAOYSA-N 0 0 226.144 3.615 10 0 BHAERN Cc1cc2ccccc2c(OC(F)F)c1 ZINC000238496124 345060911 /nfs/dbraw/zinc/06/09/11/345060911.db2.gz MFOMQVMGVNCGET-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN Cc1ccc(Cl)c([C@@H]2CCCC(=O)C2)c1 ZINC000238496399 345060737 /nfs/dbraw/zinc/06/07/37/345060737.db2.gz BHYYCJARMUNBFJ-SNVBAGLBSA-N 0 0 222.715 3.875 10 0 BHAERN Cc1ccc(Cl)c([C@@H]2CCCCC2=O)c1 ZINC000238496456 345061637 /nfs/dbraw/zinc/06/16/37/345061637.db2.gz IYOPZEKFPFXYLN-JTQLQIEISA-N 0 0 222.715 3.875 10 0 BHAERN Cc1ccc(Cl)c([C@H]2CCCCC2=O)c1 ZINC000238497436 345062997 /nfs/dbraw/zinc/06/29/97/345062997.db2.gz IYOPZEKFPFXYLN-SNVBAGLBSA-N 0 0 222.715 3.875 10 0 BHAERN Cc1cccc(C(F)(F)F)c1C(F)F ZINC000238502959 345065280 /nfs/dbraw/zinc/06/52/80/345065280.db2.gz FTKGOBJNQLYPMM-UHFFFAOYSA-N 0 0 210.145 3.951 10 0 BHAERN Cc1cccc(C(F)(F)F)c1OC(F)F ZINC000238503122 361129655 /nfs/dbraw/zinc/12/96/55/361129655.db2.gz BSZZQGNNFHTEFI-UHFFFAOYSA-N 0 0 226.144 3.615 10 0 BHAERN Cc1cccc(C(F)F)c1C(F)(F)F ZINC000238503552 361129721 /nfs/dbraw/zinc/12/97/21/361129721.db2.gz HDHRWQSANGMGTM-UHFFFAOYSA-N 0 0 210.145 3.951 10 0 BHAERN Cc1nc2cccc(OC(F)(F)F)c2s1 ZINC000238503687 344506437 /nfs/dbraw/zinc/50/64/37/344506437.db2.gz DPSVYFPJXVIDLM-UHFFFAOYSA-N 0 0 233.214 3.503 10 0 BHAERN Cc1cccc(C(F)F)c1OC(F)(F)F ZINC000238503858 361129634 /nfs/dbraw/zinc/12/96/34/361129634.db2.gz WUHKUHBFBGQGKW-UHFFFAOYSA-N 0 0 226.144 3.831 10 0 BHAERN Cc1cc2cc(Br)cc(Cl)c2[nH]1 ZINC000238505774 345063851 /nfs/dbraw/zinc/06/38/51/345063851.db2.gz SATYMXPVACVDLN-UHFFFAOYSA-N 0 0 244.519 3.892 10 0 BHAERN Cc1cc(Cl)cc2c(Br)c[nH]c21 ZINC000238506757 345063798 /nfs/dbraw/zinc/06/37/98/345063798.db2.gz AXCTZGBUMSTFNP-UHFFFAOYSA-N 0 0 244.519 3.892 10 0 BHAERN Cc1cc(Cl)cc2c(Cl)c[nH]c21 ZINC000238507368 345064481 /nfs/dbraw/zinc/06/44/81/345064481.db2.gz LFXSICWAWYTAGD-UHFFFAOYSA-N 0 0 200.068 3.783 10 0 BHAERN Cc1cc(Cl)cc2cc(Br)[nH]c21 ZINC000238507652 345064513 /nfs/dbraw/zinc/06/45/13/345064513.db2.gz ZDSXXGOLDXXDKM-UHFFFAOYSA-N 0 0 244.519 3.892 10 0 BHAERN Cc1cc(Cl)cc2cc(Cl)[nH]c21 ZINC000238507780 361129241 /nfs/dbraw/zinc/12/92/41/361129241.db2.gz UCXLMXPBQOQAPV-UHFFFAOYSA-N 0 0 200.068 3.783 10 0 BHAERN Cc1cc(C(F)F)ccc1C(F)(F)F ZINC000238511847 345065462 /nfs/dbraw/zinc/06/54/62/345065462.db2.gz LLHSKYAMCFALGC-UHFFFAOYSA-N 0 0 210.145 3.951 10 0 BHAERN Cc1cc(C(F)F)ccc1OC(F)(F)F ZINC000238511894 361134352 /nfs/dbraw/zinc/13/43/52/361134352.db2.gz ZBEYIOHWHJFXMH-UHFFFAOYSA-N 0 0 226.144 3.831 10 0 BHAERN Cc1cc2ccccc2cc1OC(F)F ZINC000238512311 345065224 /nfs/dbraw/zinc/06/52/24/345065224.db2.gz GVDHDJOMSQFMKW-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN FC(F)(F)c1nc2cccc(Cl)c2s1 ZINC000238515621 386497176 /nfs/dbraw/zinc/49/71/76/386497176.db2.gz MYCKGLAMZSDWMP-UHFFFAOYSA-N 0 0 237.633 3.969 10 0 BHAERN Cc1cc(C2CCCCC2)cc(C)c1N ZINC000238519631 387156164 /nfs/dbraw/zinc/15/61/64/387156164.db2.gz SVDJHRSPMSGWPI-UHFFFAOYSA-N 0 0 203.329 3.933 10 0 BHAERN Cc1ccc2c(cccc2OC(F)F)c1 ZINC000238523727 361139485 /nfs/dbraw/zinc/13/94/85/361139485.db2.gz PZVKJINEKNRSDN-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN Cc1nc2cc(Br)c(C)cc2s1 ZINC000238524637 345069828 /nfs/dbraw/zinc/06/98/28/345069828.db2.gz PWDVWICETLURGT-UHFFFAOYSA-N 0 0 242.141 3.676 10 0 BHAERN Fc1cc2ccccc2c(OC(F)F)c1 ZINC000238525828 345069625 /nfs/dbraw/zinc/06/96/25/345069625.db2.gz UOUYDIOWYRAAAO-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN C[Si](C)(C)CNc1ccc(Cl)cc1 ZINC000238525936 345069759 /nfs/dbraw/zinc/06/97/59/345069759.db2.gz RYZDFGGBKRJHHH-UHFFFAOYSA-N 0 0 213.784 3.629 10 0 BHAERN FC(F)c1ccnc(Cl)c1C(F)(F)F ZINC000238527380 345070203 /nfs/dbraw/zinc/07/02/03/345070203.db2.gz XAQLUDPMVDAZAV-UHFFFAOYSA-N 0 0 231.551 3.691 10 0 BHAERN Cc1c(C(F)F)cccc1C(F)(F)F ZINC000238527582 387872384 /nfs/dbraw/zinc/87/23/84/387872384.db2.gz XUXQKBMURSZLRA-UHFFFAOYSA-N 0 0 210.145 3.951 10 0 BHAERN FC(F)c1ccnc(Cl)c1OC(F)(F)F ZINC000238527608 363489535 /nfs/dbraw/zinc/48/95/35/363489535.db2.gz OUUJCZRJTIFWCN-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN Fc1ccc(OC(F)F)c2ccccc12 ZINC000238527877 387871870 /nfs/dbraw/zinc/87/18/70/387871870.db2.gz AAKVIVBOTRBKSX-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN Cc1ccc2ccc(OC(F)F)cc2c1 ZINC000238528485 387872660 /nfs/dbraw/zinc/87/26/60/387872660.db2.gz OLHQAFGRHUUGLZ-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN O=C1CCC[C@@H](c2ccsc2Cl)C1 ZINC000238528832 345068181 /nfs/dbraw/zinc/06/81/81/345068181.db2.gz GJYUFJOVDVSXIK-SSDOTTSWSA-N 0 0 214.717 3.628 10 0 BHAERN O=C1CCCC[C@H]1c1ccsc1Cl ZINC000238528880 345068428 /nfs/dbraw/zinc/06/84/28/345068428.db2.gz XCOHDHQEFYLWLV-ZETCQYMHSA-N 0 0 214.717 3.628 10 0 BHAERN FC(F)c1ccnc(OC(F)(F)F)c1Cl ZINC000238528897 345068089 /nfs/dbraw/zinc/06/80/89/345068089.db2.gz KOHOBMCQUVUGJM-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN Cc1ccc2cccc(OC(F)F)c2c1 ZINC000238529015 387872917 /nfs/dbraw/zinc/87/29/17/387872917.db2.gz FRHXOPYFMRTMQG-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN O=C1CCC[C@H](c2ccsc2Cl)C1 ZINC000238529033 345068338 /nfs/dbraw/zinc/06/83/38/345068338.db2.gz GJYUFJOVDVSXIK-ZETCQYMHSA-N 0 0 214.717 3.628 10 0 BHAERN O=C1CCCC[C@@H]1c1ccsc1Cl ZINC000238529069 345068023 /nfs/dbraw/zinc/06/80/23/345068023.db2.gz XCOHDHQEFYLWLV-SSDOTTSWSA-N 0 0 214.717 3.628 10 0 BHAERN Cc1ccc2ccccc2c1OC(F)F ZINC000238529491 345068360 /nfs/dbraw/zinc/06/83/60/345068360.db2.gz CHYWTOAUEKRCAE-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN Fc1cccc2c(OC(F)F)cccc12 ZINC000238529823 361140530 /nfs/dbraw/zinc/14/05/30/361140530.db2.gz PMVJSJMWXHKIHV-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN Fc1ccc2c(cccc2OC(F)F)c1 ZINC000238529909 361140758 /nfs/dbraw/zinc/14/07/58/361140758.db2.gz WHEPKHXASYSOLE-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN Fc1ccc2cccc(OC(F)F)c2c1 ZINC000238530035 345068450 /nfs/dbraw/zinc/06/84/50/345068450.db2.gz VCMYDBGINYNUMY-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN Cc1cc2occc2c(Br)c1 ZINC000238530050 642819072 /nfs/dbraw/zinc/81/90/72/642819072.db2.gz DJDUWFUDLPTMNV-UHFFFAOYSA-N 0 0 211.058 3.504 10 0 BHAERN Fc1cccc2cccc(OC(F)F)c12 ZINC000238530128 345068466 /nfs/dbraw/zinc/06/84/66/345068466.db2.gz UGAMLWAQPIRPKM-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN FC(F)Oc1cccc2nc(Cl)sc21 ZINC000238530358 636722413 /nfs/dbraw/zinc/72/24/13/636722413.db2.gz WUXHUZJAPXOFBN-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN O=C1CCCc2ccc(Cl)c(Cl)c21 ZINC000238530365 642819154 /nfs/dbraw/zinc/81/91/54/642819154.db2.gz QPKLHUCBDKDHIK-UHFFFAOYSA-N 0 0 215.079 3.512 10 0 BHAERN FC(F)Oc1cccc2sc(Cl)nc21 ZINC000238530546 361140667 /nfs/dbraw/zinc/14/06/67/361140667.db2.gz BFUNTUCHHRKVGI-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN O=C1CCCC[C@H]1c1ccc(Cl)c(F)c1 ZINC000238531442 642819382 /nfs/dbraw/zinc/81/93/82/642819382.db2.gz VMGMCPGIHCHIBT-VIFPVBQESA-N 0 0 226.678 3.706 10 0 BHAERN Fc1ccc(OC(F)(F)F)c(F)c1Cl ZINC000238532999 345071268 /nfs/dbraw/zinc/07/12/68/345071268.db2.gz FQGYIZAFKVXXLH-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN Fc1cc(OC(F)F)cc2ccccc12 ZINC000238533206 361143267 /nfs/dbraw/zinc/14/32/67/361143267.db2.gz VAGVXTGQMDCZIK-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN Fc1cc2ccccc2cc1OC(F)F ZINC000238533387 361143117 /nfs/dbraw/zinc/14/31/17/361143117.db2.gz AAUOCSDXXHJVIH-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN Cc1cccc2c(-c3ccncc3)c[nH]c21 ZINC000238533418 487667431 /nfs/dbraw/zinc/66/74/31/487667431.db2.gz WHGRHUQSCKGLNR-UHFFFAOYSA-N 0 0 208.264 3.538 10 0 BHAERN Cc1nc(-c2cccc(Cl)c2)sc1C=O ZINC000238534485 487667428 /nfs/dbraw/zinc/66/74/28/487667428.db2.gz WWTCAZBQHGHERF-UHFFFAOYSA-N 0 0 237.711 3.584 10 0 BHAERN Fc1cccc2cc(OC(F)F)ccc12 ZINC000238534728 361143677 /nfs/dbraw/zinc/14/36/77/361143677.db2.gz UZEDPZZUEDFZPH-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN Fc1ccc2cc(OC(F)F)ccc2c1 ZINC000238534790 361141276 /nfs/dbraw/zinc/14/12/76/361141276.db2.gz UVMHANZPQCTOBG-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN Fc1ccc2ccc(OC(F)F)cc2c1 ZINC000238534895 361141604 /nfs/dbraw/zinc/14/16/04/361141604.db2.gz QSTSVSYMNTTZMA-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN Fc1cccc2ccc(OC(F)F)cc12 ZINC000238534978 361141635 /nfs/dbraw/zinc/14/16/35/361141635.db2.gz PZXPIZFBDMCDJS-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN Fc1c(OC(F)F)ccc2ccccc21 ZINC000238535059 363490222 /nfs/dbraw/zinc/49/02/22/363490222.db2.gz ALAHREWEXDQODD-UHFFFAOYSA-N 0 0 212.170 3.580 10 0 BHAERN FC(F)Oc1ccc2nc(Cl)sc2c1 ZINC000238535231 345071747 /nfs/dbraw/zinc/07/17/47/345071747.db2.gz XTZJIDNYUNWXMN-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN FC(F)Oc1ccc2sc(Cl)nc2c1 ZINC000238535375 345072060 /nfs/dbraw/zinc/07/20/60/345072060.db2.gz RCILTFUUOHQVPN-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN O=C1CCCC[C@@H]1c1ccc(Cl)c(F)c1 ZINC000238535377 642817723 /nfs/dbraw/zinc/81/77/23/642817723.db2.gz VMGMCPGIHCHIBT-SECBINFHSA-N 0 0 226.678 3.706 10 0 BHAERN Cc1cccc(OC(F)(F)F)c1C(F)F ZINC000238538079 361141297 /nfs/dbraw/zinc/14/12/97/361141297.db2.gz BHSFWMOVIBCTJT-UHFFFAOYSA-N 0 0 226.144 3.831 10 0 BHAERN Cc1cccc(OC(F)F)c1C(F)(F)F ZINC000238538433 387872490 /nfs/dbraw/zinc/87/24/90/387872490.db2.gz ZTFCAKOMXJUICV-UHFFFAOYSA-N 0 0 226.144 3.615 10 0 BHAERN Cc1ccc2sc(Br)nc2c1F ZINC000238540506 361141495 /nfs/dbraw/zinc/14/14/95/361141495.db2.gz UVSONEJFLAACTQ-UHFFFAOYSA-N 0 0 246.104 3.506 10 0 BHAERN O=C1CCC[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000238542442 642819238 /nfs/dbraw/zinc/81/92/38/642819238.db2.gz GULMIDZQJUOGTD-JTQLQIEISA-N 0 0 229.106 3.830 10 0 BHAERN O=C1CCCC[C@H]1c1c(F)cccc1Cl ZINC000238542486 345073686 /nfs/dbraw/zinc/07/36/86/345073686.db2.gz WNQFOARKUKQRGV-MRVPVSSYSA-N 0 0 226.678 3.706 10 0 BHAERN O=C1CCC[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000238542700 642818994 /nfs/dbraw/zinc/81/89/94/642818994.db2.gz GULMIDZQJUOGTD-SNVBAGLBSA-N 0 0 229.106 3.830 10 0 BHAERN O=C1CCCC[C@@H]1c1c(F)cccc1Cl ZINC000238542996 361147029 /nfs/dbraw/zinc/14/70/29/361147029.db2.gz WNQFOARKUKQRGV-QMMMGPOBSA-N 0 0 226.678 3.706 10 0 BHAERN Fc1cc2ccccc2cc1C(F)(F)F ZINC000238545519 361146379 /nfs/dbraw/zinc/14/63/79/361146379.db2.gz WBHIQQLJHATJNL-UHFFFAOYSA-N 0 0 214.161 3.998 10 0 BHAERN Cc1c(OC(F)(F)F)cccc1C(F)F ZINC000238548382 361147634 /nfs/dbraw/zinc/14/76/34/361147634.db2.gz ROTXORHDKGUMQB-UHFFFAOYSA-N 0 0 226.144 3.831 10 0 BHAERN FC(F)c1cnc(Cl)c(OC(F)(F)F)c1 ZINC000238548605 361147874 /nfs/dbraw/zinc/14/78/74/361147874.db2.gz DOFRSMAAAXOQHX-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1cnc(Cl)cc1OC(F)(F)F ZINC000238549043 361143272 /nfs/dbraw/zinc/14/32/72/361143272.db2.gz BATBJOZSZMEVHS-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN Cc1c(OC(F)F)ccc2ccccc12 ZINC000238549457 361143771 /nfs/dbraw/zinc/14/37/71/361143771.db2.gz VIRORCFHKCXPKB-UHFFFAOYSA-N 0 0 208.207 3.750 10 0 BHAERN Cc1c(OC(F)F)cccc1C(F)(F)F ZINC000238549498 361143046 /nfs/dbraw/zinc/14/30/46/361143046.db2.gz RLPDEXSGXOVRAO-UHFFFAOYSA-N 0 0 226.144 3.615 10 0 BHAERN Fc1ncc(-c2cc(Cl)cc(Cl)c2)cn1 ZINC000238553406 361151438 /nfs/dbraw/zinc/15/14/38/361151438.db2.gz DIOIHQIYWRCJHI-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Fc1ncc(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000238553449 361151033 /nfs/dbraw/zinc/15/10/33/361151033.db2.gz NHZGEAFLXSMQGW-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Fc1ncc(-c2ccc(Cl)cc2Cl)cn1 ZINC000238553468 361151318 /nfs/dbraw/zinc/15/13/18/361151318.db2.gz SGBOSMYSOWBVSH-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Fc1ncc(-c2cccc(Cl)c2Cl)cn1 ZINC000238553489 361152092 /nfs/dbraw/zinc/15/20/92/361152092.db2.gz VYSTWIUQERLSDG-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Fc1cccc2cc(C(F)(F)F)ccc12 ZINC000238554328 361151429 /nfs/dbraw/zinc/15/14/29/361151429.db2.gz ILCFVMNHMPGENT-UHFFFAOYSA-N 0 0 214.161 3.998 10 0 BHAERN Fc1cccc2cccc(C(F)(F)F)c12 ZINC000238554734 361151290 /nfs/dbraw/zinc/15/12/90/361151290.db2.gz FHGVDDXLAMYFHW-UHFFFAOYSA-N 0 0 214.161 3.998 10 0 BHAERN FC(F)c1cnc(OC(F)(F)F)c(Cl)c1 ZINC000238556174 361150354 /nfs/dbraw/zinc/15/03/54/361150354.db2.gz KYNHJCMEGVKKRH-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN Fc1c2ccccc2ccc1C(F)(F)F ZINC000238556181 361150362 /nfs/dbraw/zinc/15/03/62/361150362.db2.gz IUSBDNSBRWGXTP-UHFFFAOYSA-N 0 0 214.161 3.998 10 0 BHAERN FC(F)c1cnc(OC(F)(F)F)cc1Cl ZINC000238556259 361149935 /nfs/dbraw/zinc/14/99/35/361149935.db2.gz KDZNMQSMTJNIFX-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN Clc1noc2cc(Cl)c(Cl)cc12 ZINC000238558227 387032450 /nfs/dbraw/zinc/03/24/50/387032450.db2.gz ZAQIYHJMWDVLNY-UHFFFAOYSA-N 0 0 222.458 3.788 10 0 BHAERN Fc1c(Cl)ccc(OC(F)(F)F)c1F ZINC000238558742 361150401 /nfs/dbraw/zinc/15/04/01/361150401.db2.gz FBZOQKSYPXBJTM-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN FC(F)c1cncc(Cl)c1OC(F)(F)F ZINC000238559261 361149822 /nfs/dbraw/zinc/14/98/22/361149822.db2.gz UBYQCIYBECHNMA-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1cncc(OC(F)(F)F)c1Cl ZINC000238560232 361149708 /nfs/dbraw/zinc/14/97/08/361149708.db2.gz CXZIXWSWUSSZCX-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN Fc1c(F)c(C(F)(F)F)ccc1Cl ZINC000238563355 345077027 /nfs/dbraw/zinc/07/70/27/345077027.db2.gz BDHIHFRRSBDHCB-UHFFFAOYSA-N 0 0 216.536 3.637 10 0 BHAERN FC(F)c1c(Cl)ccnc1OC(F)(F)F ZINC000238564191 345077827 /nfs/dbraw/zinc/07/78/27/345077827.db2.gz MFVYYMAROKSMON-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1c(Cl)cncc1OC(F)(F)F ZINC000238566884 361152879 /nfs/dbraw/zinc/15/28/79/361152879.db2.gz UZZWKHBYTGWURC-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1c(Cl)nccc1OC(F)(F)F ZINC000238571105 344586634 /nfs/dbraw/zinc/58/66/34/344586634.db2.gz WBYHBAUJKZOFAZ-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)(F)c1cnc(C(F)(F)F)c(Cl)c1 ZINC000238578305 361157565 /nfs/dbraw/zinc/15/75/65/361157565.db2.gz RXIDMPWPFKWGRZ-UHFFFAOYSA-N 0 0 249.541 3.773 10 0 BHAERN Fc1cc(Cl)c(OC(F)(F)F)cc1F ZINC000238591545 361161468 /nfs/dbraw/zinc/16/14/68/361161468.db2.gz ZJYHNVCVGGAUEO-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN FC(F)(F)c1ccc2cnc(Cl)cc2c1 ZINC000238592440 642357644 /nfs/dbraw/zinc/35/76/44/642357644.db2.gz QIWGNTCRYGZUPY-UHFFFAOYSA-N 0 0 231.604 3.907 10 0 BHAERN FC(F)c1nc(Cl)ccc1OC(F)(F)F ZINC000238593165 361161006 /nfs/dbraw/zinc/16/10/06/361161006.db2.gz CIJZXLTYJLDLGW-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN Fc1cc(F)c(Cl)c(OC(F)(F)F)c1 ZINC000238598958 361162341 /nfs/dbraw/zinc/16/23/41/361162341.db2.gz VMDITUJLTSUZNK-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN Fc1cc(F)c(OC(F)(F)F)c(Cl)c1 ZINC000238600516 345088900 /nfs/dbraw/zinc/08/89/00/345088900.db2.gz XGKLXZHDIWDKPE-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN Fc1cc(F)c(OC(F)(F)F)cc1Cl ZINC000238600630 345088428 /nfs/dbraw/zinc/08/84/28/345088428.db2.gz PFLKEQFCEJRNCX-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN Fc1c2nc(Cl)sc2c(F)c(F)c1F ZINC000238606420 537819104 /nfs/dbraw/zinc/81/91/04/537819104.db2.gz GVWNXCQMKNOZPY-UHFFFAOYSA-N 0 0 241.596 3.506 10 0 BHAERN Fc1cc(OC(F)(F)F)c(F)cc1Cl ZINC000238611009 345092389 /nfs/dbraw/zinc/09/23/89/345092389.db2.gz ANAHWZFTBDCUDC-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN FC(F)c1nc(OC(F)(F)F)ccc1Cl ZINC000238613134 345093105 /nfs/dbraw/zinc/09/31/05/345093105.db2.gz KXUQVQQFJFTPDM-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN Fc1ccc2c(Cl)cc(Cl)nc2c1 ZINC000238620867 387941351 /nfs/dbraw/zinc/94/13/51/387941351.db2.gz YIXHVVNBFWMJLB-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN FC(F)c1ncc(Cl)cc1OC(F)(F)F ZINC000238638573 361167540 /nfs/dbraw/zinc/16/75/40/361167540.db2.gz BDPYHIFNYSAWLQ-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1nccc(Cl)c1OC(F)(F)F ZINC000238655171 345102906 /nfs/dbraw/zinc/10/29/06/345102906.db2.gz KYAUPAGPLUQDEU-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1nccc(OC(F)(F)F)c1Cl ZINC000238656528 361171535 /nfs/dbraw/zinc/17/15/35/361171535.db2.gz HNWJFCBCYIVEFO-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1cc(Cl)c(OC(F)(F)F)cn1 ZINC000238659030 361171304 /nfs/dbraw/zinc/17/13/04/361171304.db2.gz SVBNKGYQEGWGDX-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1cc(Cl)cnc1OC(F)(F)F ZINC000238660545 361172352 /nfs/dbraw/zinc/17/23/52/361172352.db2.gz ULVCOMUXNCSHSM-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1cc(Cl)nc(OC(F)(F)F)c1 ZINC000238665045 344838779 /nfs/dbraw/zinc/83/87/79/344838779.db2.gz NFEYTTCKJKLWEH-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1cc(Cl)ncc1OC(F)(F)F ZINC000238665684 361175053 /nfs/dbraw/zinc/17/50/53/361175053.db2.gz NWFHBWSCOKMJKI-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN Oc1ccc2c(cccc2C(F)(F)F)c1 ZINC000238666451 345105409 /nfs/dbraw/zinc/10/54/09/345105409.db2.gz RLIYJPMJPXCKQV-UHFFFAOYSA-N 0 0 212.170 3.564 10 0 BHAERN Oc1ccc2ccc(C(F)(F)F)cc2c1 ZINC000238670024 345108117 /nfs/dbraw/zinc/10/81/17/345108117.db2.gz VBDHKRGLNPHCIC-UHFFFAOYSA-N 0 0 212.170 3.564 10 0 BHAERN O[C@H]1CCC[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000238688238 259325407 /nfs/dbraw/zinc/32/54/07/259325407.db2.gz QXQHNOVTRYPCHX-QWRGUYRKSA-N 0 0 231.122 3.622 10 0 BHAERN FC(F)c1cc(OC(F)(F)F)c(Cl)cn1 ZINC000238691961 361180085 /nfs/dbraw/zinc/18/00/85/361180085.db2.gz NCFAFKJDIVCKJP-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1cc(OC(F)(F)F)cc(Cl)n1 ZINC000238692037 361180152 /nfs/dbraw/zinc/18/01/52/361180152.db2.gz NPDULYJYLYSHDX-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1cc(OC(F)(F)F)cnc1Cl ZINC000238692148 361180587 /nfs/dbraw/zinc/18/05/87/361180587.db2.gz VVSCADSDLGEYMB-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1cc(OC(F)(F)F)ncc1Cl ZINC000238692226 361180183 /nfs/dbraw/zinc/18/01/83/361180183.db2.gz VKFOEDTZYZLIPS-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1ccc(Cl)c(OC(F)(F)F)n1 ZINC000238698870 361180138 /nfs/dbraw/zinc/18/01/38/361180138.db2.gz SSKANKUKZIJFFV-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1ccc(Cl)nc1OC(F)(F)F ZINC000238699231 361180492 /nfs/dbraw/zinc/18/04/92/361180492.db2.gz PBIXJSXIMQSFIV-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1ccc(OC(F)(F)F)c(Cl)n1 ZINC000238701412 344950126 /nfs/dbraw/zinc/95/01/26/344950126.db2.gz MJQQWRNORYEIRX-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN FC(F)c1ccc(OC(F)(F)F)nc1Cl ZINC000238701539 361364752 /nfs/dbraw/zinc/36/47/52/361364752.db2.gz FNIRRHOAGZYSIR-UHFFFAOYSA-N 0 0 247.550 3.571 10 0 BHAERN Oc1cccc(-c2ccc3cc[nH]c3c2)c1 ZINC000238711670 343258280 /nfs/dbraw/zinc/25/82/80/343258280.db2.gz YQOMESYRKBWKAP-UHFFFAOYSA-N 0 0 209.248 3.541 10 0 BHAERN O[C@@H]1CCC[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000238719398 259325554 /nfs/dbraw/zinc/32/55/54/259325554.db2.gz QXQHNOVTRYPCHX-GHMZBOCLSA-N 0 0 231.122 3.622 10 0 BHAERN OCc1cc(Cl)c(Cl)cc1C(F)(F)F ZINC000238719489 345117443 /nfs/dbraw/zinc/11/74/43/345117443.db2.gz DBHFXVUVIUYEGQ-UHFFFAOYSA-N 0 0 245.027 3.505 10 0 BHAERN O[C@@H]1CCC[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000238720357 259325492 /nfs/dbraw/zinc/32/54/92/259325492.db2.gz QXQHNOVTRYPCHX-WDEREUQCSA-N 0 0 231.122 3.622 10 0 BHAERN Oc1cc2ccccc2cc1C(F)(F)F ZINC000238724932 361372277 /nfs/dbraw/zinc/37/22/77/361372277.db2.gz KMDFKBDRFRSUBC-UHFFFAOYSA-N 0 0 212.170 3.564 10 0 BHAERN CCCC[C@H](C)[C@H]1OC[C@@H](c2ccccc2)O1 ZINC000238790739 168993221 /nfs/dbraw/zinc/99/32/21/168993221.db2.gz BINOLRXOEXUHNT-QEJZJMRPSA-N 0 0 234.339 3.927 10 0 BHAERN Clc1ncc(Br)c2ccsc21 ZINC000238851202 386535307 /nfs/dbraw/zinc/53/53/07/386535307.db2.gz FTJMGIUQCYPERH-UHFFFAOYSA-N 0 0 248.532 3.712 10 0 BHAERN CC(=O)SC1CCC(c2ccccc2)CC1 ZINC000238853758 187676559 /nfs/dbraw/zinc/67/65/59/187676559.db2.gz KSBGAXGPVWNQBI-UHFFFAOYSA-N 0 0 234.364 3.993 10 0 BHAERN CC[C@@H](C)OC(=O)Nc1ccc(Cl)cc1 ZINC000243022030 344121795 /nfs/dbraw/zinc/12/17/95/344121795.db2.gz HXWWSPWVSCAGKY-MRVPVSSYSA-N 0 0 227.691 3.687 10 0 BHAERN CC[C@H](C)OC(=O)Nc1ccc(Cl)cc1 ZINC000243022031 344121938 /nfs/dbraw/zinc/12/19/38/344121938.db2.gz HXWWSPWVSCAGKY-QMMMGPOBSA-N 0 0 227.691 3.687 10 0 BHAERN CC[C@H](C)[C@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000245643657 325520170 /nfs/dbraw/zinc/52/01/70/325520170.db2.gz BDWYTKOZBQTYPD-GARJFASQSA-N 0 0 239.384 3.608 10 0 BHAERN CC[C@H](C)[C@@H](C)C(=O)N[C@H](C)c1cccs1 ZINC000245643659 325519863 /nfs/dbraw/zinc/51/98/63/325519863.db2.gz BDWYTKOZBQTYPD-HBNTYKKESA-N 0 0 239.384 3.608 10 0 BHAERN CC[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000246378317 134885891 /nfs/dbraw/zinc/88/58/91/134885891.db2.gz TWWZGEJNVMPKCM-YWPYICTPSA-N 0 0 245.366 3.787 10 0 BHAERN CC[C@H](C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000246378327 387080657 /nfs/dbraw/zinc/08/06/57/387080657.db2.gz TWWZGEJNVMPKCM-ZOWXZIJZSA-N 0 0 245.366 3.787 10 0 BHAERN C[C@@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246437209 388636443 /nfs/dbraw/zinc/63/64/43/388636443.db2.gz DBVUBDKTRCIQHA-MYZSUADSSA-N 0 0 249.398 3.602 10 0 BHAERN C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246437220 325564338 /nfs/dbraw/zinc/56/43/38/325564338.db2.gz DBVUBDKTRCIQHA-NEBZKDRISA-N 0 0 249.398 3.602 10 0 BHAERN C[C@@H]1CC[C@H](C)N1C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000246437229 388637011 /nfs/dbraw/zinc/63/70/11/388637011.db2.gz DBVUBDKTRCIQHA-OSRDXIQISA-N 0 0 249.398 3.602 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)C[C@@H]2CC[C@@H](C)C2)o1 ZINC000246663690 359155591 /nfs/dbraw/zinc/15/55/91/359155591.db2.gz QBNBRZGYXBTLJD-KGYLQXTDSA-N 0 0 249.354 3.592 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)C[C@H]2CC[C@@H](C)C2)o1 ZINC000246663701 359156203 /nfs/dbraw/zinc/15/62/03/359156203.db2.gz QBNBRZGYXBTLJD-WXHSDQCUSA-N 0 0 249.354 3.592 10 0 BHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H](C)C2)o1 ZINC000247511964 359227948 /nfs/dbraw/zinc/22/79/48/359227948.db2.gz VTFUBAPNYTWTLR-KGYLQXTDSA-N 0 0 249.354 3.592 10 0 BHAERN 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CCC[C@H](C(=O)N[C@H](C)C(C)C)c1ccccc1 ZINC000248266453 345097485 /nfs/dbraw/zinc/09/74/85/345097485.db2.gz OHUCZDSDFJQAGA-HIFRSBDPSA-N 0 0 247.382 3.731 10 0 BHAERN CCC[C@@H](C(=O)N[C@H](C)C(C)C)c1ccccc1 ZINC000248266456 345097459 /nfs/dbraw/zinc/09/74/59/345097459.db2.gz OHUCZDSDFJQAGA-UKRRQHHQSA-N 0 0 247.382 3.731 10 0 BHAERN CCC[C@H](C(=O)N[C@@H](C)C(C)C)c1ccccc1 ZINC000248266459 345097423 /nfs/dbraw/zinc/09/74/23/345097423.db2.gz OHUCZDSDFJQAGA-ZFWWWQNUSA-N 0 0 247.382 3.731 10 0 BHAERN CC(C)[C@H](C)NC(=O)CCCC1CCCCC1 ZINC000248296029 388675697 /nfs/dbraw/zinc/67/56/97/388675697.db2.gz XFDGHMFULAISRH-ZDUSSCGKSA-N 0 0 239.403 3.898 10 0 BHAERN CC1(C)Cc2ccc3c(Cl)ccnc3c2O1 ZINC000248342916 349123909 /nfs/dbraw/zinc/12/39/09/349123909.db2.gz YYPPGFDRLJITAI-UHFFFAOYSA-N 0 0 233.698 3.602 10 0 BHAERN CC[C@H](C)[C@H](C)C(=O)N1CCC[C@H]1c1ccco1 ZINC000248536460 135002974 /nfs/dbraw/zinc/00/29/74/135002974.db2.gz GXZKUJUBDBCLNY-AVGNSLFASA-N 0 0 249.354 3.625 10 0 BHAERN 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ZINC000255172984 643569508 /nfs/dbraw/zinc/56/95/08/643569508.db2.gz CBKWTZMPKSGMAU-MVXISAMASA-N 0 0 245.366 3.953 10 0 BHAERN C/C=C(/C)C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000255172985 643568586 /nfs/dbraw/zinc/56/85/86/643568586.db2.gz CBKWTZMPKSGMAU-TZQNSNDFSA-N 0 0 245.366 3.953 10 0 BHAERN Cc1ccc(/C=C\CC(=O)N[C@H](C)C(C)C)cc1 ZINC000255327705 398047348 /nfs/dbraw/zinc/04/73/48/398047348.db2.gz JVPMVUHWXWXBAG-GEXIGZQTSA-N 0 0 245.366 3.559 10 0 BHAERN Cc1ccc(/C=C\CC(=O)N[C@@H](C)C(C)C)cc1 ZINC000255327706 398047309 /nfs/dbraw/zinc/04/73/09/398047309.db2.gz JVPMVUHWXWXBAG-GXMNPTEKSA-N 0 0 245.366 3.559 10 0 BHAERN CC(C)[C@H](C)NC(=O)CC/C=C\c1ccccc1 ZINC000255844472 370609825 /nfs/dbraw/zinc/60/98/25/370609825.db2.gz JLPATMDTPUAEEI-JOHMGYAOSA-N 0 0 245.366 3.641 10 0 BHAERN CC(C)[C@@H](C)NC(=O)CC/C=C\c1ccccc1 ZINC000255844508 370609708 /nfs/dbraw/zinc/60/97/08/370609708.db2.gz JLPATMDTPUAEEI-SMJHDNPOSA-N 0 0 245.366 3.641 10 0 BHAERN C/C(=C/C(=O)O[C@H](C)c1cccs1)C1CC1 ZINC000255872231 632842265 /nfs/dbraw/zinc/84/22/65/632842265.db2.gz DRVJZNHOEHHRMY-HSTULFTRSA-N 0 0 236.336 3.709 10 0 BHAERN C/C(=C/C(=O)O[C@@H](C)c1cccs1)C1CC1 ZINC000255872233 632842974 /nfs/dbraw/zinc/84/29/74/632842974.db2.gz DRVJZNHOEHHRMY-QROTZFDESA-N 0 0 236.336 3.709 10 0 BHAERN CCC[C@H](C)C(=O)O[C@H]1CCCC[C@H]1C ZINC000255962022 169475810 /nfs/dbraw/zinc/47/58/10/169475810.db2.gz AFZVDXFCPUPESB-WOPDTQHZSA-N 0 0 212.333 3.545 10 0 BHAERN C[C@H]1S[C@H](c2ccco2)S[C@H]1C ZINC000255965155 384570864 /nfs/dbraw/zinc/57/08/64/384570864.db2.gz BPTOOYDRQLZHSC-QMSLJYSESA-N 0 0 200.328 3.535 10 0 BHAERN CC(C)[C@@H]1O[C@@H](C(C)C)O[C@H](C(C)C)P1 ZINC000255978953 167519529 /nfs/dbraw/zinc/51/95/29/167519529.db2.gz ILDOJCPFGWBYOL-CNDDSTCGSA-N 0 0 232.304 3.658 10 0 BHAERN Cc1coc2c1C(=O)C[C@@H](C)CCC=CC2 ZINC000255993182 188258572 /nfs/dbraw/zinc/25/85/72/188258572.db2.gz OUKUFNBCECBRES-JTQLQIEISA-N 0 0 218.296 3.689 10 0 BHAERN CN1O[C@H](c2ccccc2)C[C@H]1c1ccccc1 ZINC000256001023 173205034 /nfs/dbraw/zinc/20/50/34/173205034.db2.gz SDUNOOIPTLCXBI-HOTGVXAUSA-N 0 0 239.318 3.736 10 0 BHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@@H]1CCCCO1 ZINC000256002654 187912914 /nfs/dbraw/zinc/91/29/14/187912914.db2.gz SXIUOLKDCQDOOM-APIJFGDWSA-N 0 0 240.387 3.990 10 0 BHAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1CCCCO1 ZINC000256002655 187571504 /nfs/dbraw/zinc/57/15/04/187571504.db2.gz SXIUOLKDCQDOOM-KBXIAJHMSA-N 0 0 240.387 3.990 10 0 BHAERN CCCCC[C@H]1[C@H](OC(C)=O)CC[C@@H]1C ZINC000256081503 344149890 /nfs/dbraw/zinc/14/98/90/344149890.db2.gz QPFLWOSNOVCWND-CYZMBNFOSA-N 0 0 212.333 3.545 10 0 BHAERN CCCCC[C@@H]1[C@H](C)CC[C@H]1OC(C)=O ZINC000256081504 344149900 /nfs/dbraw/zinc/14/99/00/344149900.db2.gz QPFLWOSNOVCWND-RAIGVLPGSA-N 0 0 212.333 3.545 10 0 BHAERN CCC/C=C/COP(=O)(OCC)OCC ZINC000256089745 349375877 /nfs/dbraw/zinc/37/58/77/349375877.db2.gz RVRPRLHXHUIJRH-CMDGGOBGSA-N 0 0 236.248 3.540 10 0 BHAERN O=C(Cl)[C@H]1CC=CCCC=CCCC1 ZINC000256160739 349382458 /nfs/dbraw/zinc/38/24/58/349382458.db2.gz POCBECWMEMOUGE-LLVKDONJSA-N 0 0 212.720 3.835 10 0 BHAERN O=C(Cl)[C@@H]1CC=CCCC=CCCC1 ZINC000256160741 349382567 /nfs/dbraw/zinc/38/25/67/349382567.db2.gz POCBECWMEMOUGE-NSHDSACASA-N 0 0 212.720 3.835 10 0 BHAERN N#Cc1ccc(N=Cc2ccc(Cl)cc2)cc1 ZINC000257351685 349409263 /nfs/dbraw/zinc/40/92/63/349409263.db2.gz GONDMLUXUOZZNS-UHFFFAOYSA-N 0 0 240.693 3.962 10 0 BHAERN CCOC(=O)C[C@H]1CC[C@H](c2ccccc2)CC1 ZINC000257352825 345774401 /nfs/dbraw/zinc/77/44/01/345774401.db2.gz NQKKTEIOHKETAT-CTYIDZIISA-N 0 0 246.350 3.914 10 0 BHAERN CN(C(=O)OC(C)(C)C)c1c[nH]c2ccccc21 ZINC000257352846 345774250 /nfs/dbraw/zinc/77/42/50/345774250.db2.gz NTQOZUSGPFAKMZ-UHFFFAOYSA-N 0 0 246.310 3.539 10 0 BHAERN O=Cc1cccc(-c2ccnc3ccccc32)c1 ZINC000257367873 642453189 /nfs/dbraw/zinc/45/31/89/642453189.db2.gz DNEDBXGHWSEMFJ-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN Nc1ccc(C2CCC(F)(F)CC2)cc1 ZINC000257836091 387156550 /nfs/dbraw/zinc/15/65/50/387156550.db2.gz AKTVBQDIOJWQSC-UHFFFAOYSA-N 0 0 211.255 3.562 10 0 BHAERN CCc1sc(Br)nc1C1CCC1 ZINC000257989156 385522941 /nfs/dbraw/zinc/52/29/41/385522941.db2.gz OVQBBKVXWBJBKN-UHFFFAOYSA-N 0 0 246.173 3.736 10 0 BHAERN Cc1sc(Br)nc1C1CCCC1 ZINC000257998209 385519534 /nfs/dbraw/zinc/51/95/34/385519534.db2.gz PMFIMNAMVPHORV-UHFFFAOYSA-N 0 0 246.173 3.872 10 0 BHAERN Cc1sc(Br)nc1C(C)(C)C ZINC000258006728 385521309 /nfs/dbraw/zinc/52/13/09/385521309.db2.gz MFRWCDFJZLMFFL-UHFFFAOYSA-N 0 0 234.162 3.512 10 0 BHAERN CCc1sc(Br)nc1C(C)(C)C ZINC000258015546 385522816 /nfs/dbraw/zinc/52/28/16/385522816.db2.gz QVXANHVJXXCVJC-UHFFFAOYSA-N 0 0 248.189 3.766 10 0 BHAERN CC(C)n1cc(C=O)c2ccc(Cl)cc21 ZINC000258016344 343077124 /nfs/dbraw/zinc/07/71/24/343077124.db2.gz YBNNRPQNAXSGEJ-UHFFFAOYSA-N 0 0 221.687 3.688 10 0 BHAERN Nc1ccccc1C1CCC(F)(F)CC1 ZINC000258127620 323947799 /nfs/dbraw/zinc/94/77/99/323947799.db2.gz QACIVCHSSCAEHS-UHFFFAOYSA-N 0 0 211.255 3.562 10 0 BHAERN C[C@@H](O)c1cnc(-c2ccc(Cl)s2)s1 ZINC000258154816 385543112 /nfs/dbraw/zinc/54/31/12/385543112.db2.gz QRMFAJDQQZADCA-RXMQYKEDSA-N 0 0 245.756 3.578 10 0 BHAERN C[C@H](O)c1cnc(-c2ccc(Cl)s2)s1 ZINC000258154817 385542426 /nfs/dbraw/zinc/54/24/26/385542426.db2.gz QRMFAJDQQZADCA-YFKPBYRVSA-N 0 0 245.756 3.578 10 0 BHAERN CCc1oc(Br)nc1C1CCCC1 ZINC000258180013 385547396 /nfs/dbraw/zinc/54/73/96/385547396.db2.gz HFGDCOKYRDXOTI-UHFFFAOYSA-N 0 0 244.132 3.657 10 0 BHAERN Cc1sc(Cl)nc1C1CCCC1 ZINC000258190659 385552189 /nfs/dbraw/zinc/55/21/89/385552189.db2.gz VXHGIWAMFOFTNK-UHFFFAOYSA-N 0 0 201.722 3.763 10 0 BHAERN Nc1cccc(C2CCC(F)(F)CC2)c1 ZINC000258205131 323948142 /nfs/dbraw/zinc/94/81/42/323948142.db2.gz XGIRDQPJCHFHKG-UHFFFAOYSA-N 0 0 211.255 3.562 10 0 BHAERN CC(C)n1c2ccccc2c2cc(CO)ccc21 ZINC000258212921 349501640 /nfs/dbraw/zinc/50/16/40/349501640.db2.gz ITIMTCMJSUDXJM-UHFFFAOYSA-N 0 0 239.318 3.868 10 0 BHAERN CC(C)CCc1cccc(Br)c1N ZINC000258218112 384893311 /nfs/dbraw/zinc/89/33/11/384893311.db2.gz JYKIIWGJEMMIDY-UHFFFAOYSA-N 0 0 242.160 3.620 10 0 BHAERN CC1(C)CCNc2ccc(C(F)(F)F)cc21 ZINC000258276177 538779607 /nfs/dbraw/zinc/77/96/07/538779607.db2.gz PSGIOVAIIONUSU-UHFFFAOYSA-N 0 0 229.245 3.799 10 0 BHAERN Brc1ccc2ccn(C3CC3)c2c1 ZINC000258305257 166100198 /nfs/dbraw/zinc/10/01/98/166100198.db2.gz DTVXGFVOHPWNGJ-UHFFFAOYSA-N 0 0 236.112 3.739 10 0 BHAERN Clc1nc2ccccc2cc1-c1ccccn1 ZINC000258627586 349515784 /nfs/dbraw/zinc/51/57/84/349515784.db2.gz PSJJIOPCVCJOJW-UHFFFAOYSA-N 0 0 240.693 3.950 10 0 BHAERN Clc1cnc(Oc2ccccc2)s1 ZINC000258678041 384633150 /nfs/dbraw/zinc/63/31/50/384633150.db2.gz YIIJPCQQZNVMAZ-UHFFFAOYSA-N 0 0 211.673 3.589 10 0 BHAERN Brc1ccc2c(ccn2C2CC2)c1 ZINC000258776937 166099579 /nfs/dbraw/zinc/09/95/79/166099579.db2.gz JEDQBCVCUMPSOR-UHFFFAOYSA-N 0 0 236.112 3.739 10 0 BHAERN Cc1cc(N)c(N(C)Cc2ccccc2)cc1C ZINC000258846737 384679839 /nfs/dbraw/zinc/67/98/39/384679839.db2.gz BCJZQKTYWGDSPS-UHFFFAOYSA-N 0 0 240.350 3.522 10 0 BHAERN CC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000258967555 349535925 /nfs/dbraw/zinc/53/59/25/349535925.db2.gz UJDYDLKMLHVOPX-SSDOTTSWSA-N 0 0 216.202 3.555 10 0 BHAERN CC(=O)c1ccc([C@H](C)C(F)(F)F)cc1 ZINC000258967558 349535684 /nfs/dbraw/zinc/53/56/84/349535684.db2.gz UJDYDLKMLHVOPX-ZETCQYMHSA-N 0 0 216.202 3.555 10 0 BHAERN Brc1cccc(CC2CCC2)c1 ZINC000258985669 323947367 /nfs/dbraw/zinc/94/73/67/323947367.db2.gz VQYJKQODZUNCLA-UHFFFAOYSA-N 0 0 225.129 3.792 10 0 BHAERN Cc1cc(N)c(Nc2ccccc2)cc1C ZINC000258995518 343076866 /nfs/dbraw/zinc/07/68/66/343076866.db2.gz PPICVDHDOMWDPR-UHFFFAOYSA-N 0 0 212.296 3.629 10 0 BHAERN Brc1ncc(C2CCCCC2)s1 ZINC000259002590 384735943 /nfs/dbraw/zinc/73/59/43/384735943.db2.gz UEBJOHYUSYPGSX-UHFFFAOYSA-N 0 0 246.173 3.953 10 0 BHAERN CCSc1ccc(C(=O)CCSC)cc1 ZINC000259002966 384735034 /nfs/dbraw/zinc/73/50/34/384735034.db2.gz BNWOUIYWSUMFGS-UHFFFAOYSA-N 0 0 240.393 3.734 10 0 BHAERN CSCCC(=O)c1ccc(CC(C)C)cc1 ZINC000259162734 385677374 /nfs/dbraw/zinc/67/73/74/385677374.db2.gz NVDWPVDCLSCCSY-UHFFFAOYSA-N 0 0 236.380 3.821 10 0 BHAERN O=C1CSC(c2ccc(Cl)c(Cl)c2)=N1 ZINC000259210897 385786991 /nfs/dbraw/zinc/78/69/91/385786991.db2.gz IAASJSXZKRYWGO-UHFFFAOYSA-N 0 0 246.118 3.823 10 0 BHAERN COc1cc(C)c(C)cc1SC(F)(F)F ZINC000259241850 384839958 /nfs/dbraw/zinc/83/99/58/384839958.db2.gz OCZVEZNWJOATNL-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN COc1cc(C)c(SC(F)(F)F)cc1C ZINC000259299639 385087781 /nfs/dbraw/zinc/08/77/81/385087781.db2.gz UDJBJFBVOXSAKK-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN CCc1nc(-c2sccc2C)cs1 ZINC000259303852 385180510 /nfs/dbraw/zinc/18/05/10/385180510.db2.gz OPGRXPINMCDUHD-UHFFFAOYSA-N 0 0 209.339 3.742 10 0 BHAERN CSCCC(=O)c1c(C)c(C)cc(C)c1C ZINC000259350621 385303991 /nfs/dbraw/zinc/30/39/91/385303991.db2.gz ZPZQRBOTTFIIID-UHFFFAOYSA-N 0 0 236.380 3.856 10 0 BHAERN Cc1cc(Cl)c(C(F)(F)F)cc1F ZINC000259371835 385380995 /nfs/dbraw/zinc/38/09/95/385380995.db2.gz VDJSZHQBEPJCMO-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN COc1nc(-c2ccc3ccccc3c2)cs1 ZINC000259431051 385435048 /nfs/dbraw/zinc/43/50/48/385435048.db2.gz XREAVUKEYCVGJO-UHFFFAOYSA-N 0 0 241.315 3.972 10 0 BHAERN CCOC(=O)c1sccc1C1CCCCC1 ZINC000259542548 538822333 /nfs/dbraw/zinc/82/23/33/538822333.db2.gz CSOIATKUZCQAOI-UHFFFAOYSA-N 0 0 238.352 3.973 10 0 BHAERN CCOC(=O)c1ccc2[nH]c(C(C)(C)C)cc2c1 ZINC000259556461 170297509 /nfs/dbraw/zinc/29/75/09/170297509.db2.gz UWIJLDHGYIZVOA-UHFFFAOYSA-N 0 0 245.322 3.642 10 0 BHAERN CCOC(=O)c1sccc1C1CCCC1 ZINC000259816225 583361634 /nfs/dbraw/zinc/36/16/34/583361634.db2.gz PWLVCOQTMIFNKH-UHFFFAOYSA-N 0 0 224.325 3.582 10 0 BHAERN CC(=O)[C@H](C)c1c(Cl)cccc1Cl ZINC000259985587 385636651 /nfs/dbraw/zinc/63/66/51/385636651.db2.gz IVPBDJMPBAXABG-LURJTMIESA-N 0 0 217.095 3.686 10 0 BHAERN CC(=O)[C@@H](C)c1c(Cl)cccc1Cl ZINC000259985592 385636177 /nfs/dbraw/zinc/63/61/77/385636177.db2.gz IVPBDJMPBAXABG-ZCFIWIBFSA-N 0 0 217.095 3.686 10 0 BHAERN COC(=O)[C@H](C)c1cccc(-c2ccccc2)c1 ZINC000260094827 349639544 /nfs/dbraw/zinc/63/95/44/349639544.db2.gz APNVYGSDZKAKFI-GFCCVEGCSA-N 0 0 240.302 3.630 10 0 BHAERN COC(=O)[C@@H](C)c1cccc(-c2ccccc2)c1 ZINC000260094834 349639763 /nfs/dbraw/zinc/63/97/63/349639763.db2.gz APNVYGSDZKAKFI-LBPRGKRZSA-N 0 0 240.302 3.630 10 0 BHAERN CCOC(=O)Cc1cccc2cccc(Cl)c21 ZINC000260148855 385705550 /nfs/dbraw/zinc/70/55/50/385705550.db2.gz PDBMWAVLACPFDT-UHFFFAOYSA-N 0 0 248.709 3.599 10 0 BHAERN CCOC(=O)Cc1cccc2cc(Cl)ccc21 ZINC000260913111 385991799 /nfs/dbraw/zinc/99/17/99/385991799.db2.gz HBCDMYNZPLDDNN-UHFFFAOYSA-N 0 0 248.709 3.599 10 0 BHAERN CCOC(=O)C1CCC2(CCCCC2)CC1 ZINC000260987871 349782515 /nfs/dbraw/zinc/78/25/15/349782515.db2.gz YDSZOOVSNJIMLU-UHFFFAOYSA-N 0 0 224.344 3.690 10 0 BHAERN CCOC(=O)Cc1ccc2cc(Cl)ccc2c1 ZINC000260995060 386000770 /nfs/dbraw/zinc/00/07/70/386000770.db2.gz UTXCTXPMXPUHQD-UHFFFAOYSA-N 0 0 248.709 3.599 10 0 BHAERN CCOC(=O)Cc1ccc2ccc(Cl)cc2c1 ZINC000261052832 386002527 /nfs/dbraw/zinc/00/25/27/386002527.db2.gz KCDVRNWFLQUSCX-UHFFFAOYSA-N 0 0 248.709 3.599 10 0 BHAERN CCOC(=O)Cc1ccc2cccc(Cl)c2c1 ZINC000261056399 386002461 /nfs/dbraw/zinc/00/24/61/386002461.db2.gz KYQDVUIGDKKVTB-UHFFFAOYSA-N 0 0 248.709 3.599 10 0 BHAERN CCOC(=O)c1ccc2ccc(Cl)cc2c1 ZINC000261057542 386002396 /nfs/dbraw/zinc/00/23/96/386002396.db2.gz LIHXTCYXYCJWNV-UHFFFAOYSA-N 0 0 234.682 3.670 10 0 BHAERN CCOC(=O)Cc1cccc2c(Cl)cccc12 ZINC000261176073 384578164 /nfs/dbraw/zinc/57/81/64/384578164.db2.gz CCSHVQXZWMAFQG-UHFFFAOYSA-N 0 0 248.709 3.599 10 0 BHAERN CCOC(=O)c1cccc2ccc(Cl)cc21 ZINC000261224209 385807540 /nfs/dbraw/zinc/80/75/40/385807540.db2.gz WKLBDXVGWOHUCC-UHFFFAOYSA-N 0 0 234.682 3.670 10 0 BHAERN CC1(C)C[C@@H]2[C@H](C1)[C@@]1(C)CCC[C@]2(C)[C@@H]1O ZINC000261497141 571862684 /nfs/dbraw/zinc/86/26/84/571862684.db2.gz MJYUBUQHKCAJQR-RNAIPZGBSA-N 0 0 222.372 3.610 10 0 endogenous,in-man BHAERN Cc1coc2c1CC(=O)[C@@H](C)CCC=C(C)C2 ZINC000261499502 571863593 /nfs/dbraw/zinc/86/35/93/571863593.db2.gz ZLESWHXADLWJPV-NSHDSACASA-N 0 0 232.323 3.618 10 0 endogenous,in-man BHAERN COC(=O)C=C1CCC(C2CCCCC2)CC1 ZINC000261506802 386027158 /nfs/dbraw/zinc/02/71/58/386027158.db2.gz BBZCQAYHOKJQAP-UHFFFAOYSA-N 0 0 236.355 3.856 10 0 BHAERN Fc1cc(C(Cl)(Cl)Cl)cc(F)c1F ZINC000261507194 187912713 /nfs/dbraw/zinc/91/27/13/187912713.db2.gz GJPBJWXFUPBWMY-UHFFFAOYSA-N 0 0 249.446 3.931 10 0 BHAERN CC(C)Oc1cnc(Cl)c2ccccc12 ZINC000261507406 167311708 /nfs/dbraw/zinc/31/17/08/167311708.db2.gz IDEWMBMRFGVJBU-UHFFFAOYSA-N 0 0 221.687 3.675 10 0 BHAERN CC1(C)C=Cc2cc(Br)cc(F)c21 ZINC000261507865 187744947 /nfs/dbraw/zinc/74/49/47/187744947.db2.gz NBFYJZOAMLHDLB-UHFFFAOYSA-N 0 0 241.103 3.893 10 0 BHAERN Cc1cc2cc(Br)c(F)c(F)c2[nH]1 ZINC000261508071 178294473 /nfs/dbraw/zinc/29/44/73/178294473.db2.gz PLEOTSGQIHSAIE-UHFFFAOYSA-N 0 0 246.054 3.517 10 0 BHAERN c1ccc(C[C@H]2CC(C3CCCCC3)=NN2)cc1 ZINC000261508537 183410708 /nfs/dbraw/zinc/41/07/08/183410708.db2.gz UHWDLCQRFMAGGV-HNNXBMFYSA-N 0 0 242.366 3.527 10 0 BHAERN c1ccc(C[C@@H]2CC(C3CCCCC3)=NN2)cc1 ZINC000261508538 386029097 /nfs/dbraw/zinc/02/90/97/386029097.db2.gz UHWDLCQRFMAGGV-OAHLLOKOSA-N 0 0 242.366 3.527 10 0 BHAERN Fc1cc(C2CC2)cc2ccnc(Cl)c12 ZINC000261508791 387306286 /nfs/dbraw/zinc/30/62/86/387306286.db2.gz WXMWDKFFXWZIPY-UHFFFAOYSA-N 0 0 221.662 3.905 10 0 BHAERN Cc1cscc1NCc1ccc(F)nc1C ZINC000278543214 384011089 /nfs/dbraw/zinc/01/10/89/384011089.db2.gz UEQCVRKIQLRUMO-UHFFFAOYSA-N 0 0 236.315 3.511 10 0 BHAERN CC(C)c1nn(C)cc1N[C@@H](C)c1ccsc1 ZINC000280890988 385614927 /nfs/dbraw/zinc/61/49/27/385614927.db2.gz PAWVYVGRGPMUDN-JTQLQIEISA-N 0 0 249.383 3.778 10 0 BHAERN CC(C)c1nn(C)cc1N[C@H](C)c1ccsc1 ZINC000280890990 385614920 /nfs/dbraw/zinc/61/49/20/385614920.db2.gz PAWVYVGRGPMUDN-SNVBAGLBSA-N 0 0 249.383 3.778 10 0 BHAERN CCC(=O)Nc1ccc(N[C@@H]2CCC2(C)C)cc1 ZINC000284108041 187241186 /nfs/dbraw/zinc/24/11/86/187241186.db2.gz CATLYEYJGNLFHL-CYBMUJFWSA-N 0 0 246.354 3.636 10 0 BHAERN CCC(=O)Nc1ccc(N[C@H]2CCC2(C)C)cc1 ZINC000284108043 188095544 /nfs/dbraw/zinc/09/55/44/188095544.db2.gz CATLYEYJGNLFHL-ZDUSSCGKSA-N 0 0 246.354 3.636 10 0 BHAERN Cc1c(Cl)cccc1N[C@H](C)c1cn[nH]c1 ZINC000284917653 177602350 /nfs/dbraw/zinc/60/23/50/177602350.db2.gz CXLPIKLWPLWTFB-SECBINFHSA-N 0 0 235.718 3.545 10 0 BHAERN Cc1cccc(N[C@H](C)c2cn[nH]c2)c1Cl ZINC000285039756 179157207 /nfs/dbraw/zinc/15/72/07/179157207.db2.gz IAPAGLNHHHQKGP-SECBINFHSA-N 0 0 235.718 3.545 10 0 BHAERN Cc1cccc(N[C@@H](C)c2cn[nH]c2)c1Cl ZINC000285039757 179153528 /nfs/dbraw/zinc/15/35/28/179153528.db2.gz IAPAGLNHHHQKGP-VIFPVBQESA-N 0 0 235.718 3.545 10 0 BHAERN CC(C)c1ccc(N[C@@H](C)c2cn[nH]c2)cc1 ZINC000285051443 167606573 /nfs/dbraw/zinc/60/65/73/167606573.db2.gz INPQBIZSWLYBGT-NSHDSACASA-N 0 0 229.327 3.706 10 0 BHAERN Cc1cc(Cl)ccc1N[C@H](C)c1cn[nH]c1 ZINC000285222889 178068554 /nfs/dbraw/zinc/06/85/54/178068554.db2.gz OYSZDQJCRVLBCN-SECBINFHSA-N 0 0 235.718 3.545 10 0 BHAERN Cc1cc(Cl)ccc1N[C@@H](C)c1cn[nH]c1 ZINC000285222893 178069188 /nfs/dbraw/zinc/06/91/88/178069188.db2.gz OYSZDQJCRVLBCN-VIFPVBQESA-N 0 0 235.718 3.545 10 0 BHAERN Cc1ccc(Cl)cc1N[C@@H](C)c1cn[nH]c1 ZINC000285342099 178663949 /nfs/dbraw/zinc/66/39/49/178663949.db2.gz UWWSLQIGXPISAY-VIFPVBQESA-N 0 0 235.718 3.545 10 0 BHAERN Cc1ccc([C@@H](C)NCc2cccc(C)c2F)o1 ZINC000294707535 385129424 /nfs/dbraw/zinc/12/94/24/385129424.db2.gz HCYHOKMLPJRJLG-GFCCVEGCSA-N 0 0 247.313 3.886 10 0 BHAERN Cc1ccc([C@H](C)NCc2cccc(C)c2F)o1 ZINC000294707540 385130360 /nfs/dbraw/zinc/13/03/60/385130360.db2.gz HCYHOKMLPJRJLG-LBPRGKRZSA-N 0 0 247.313 3.886 10 0 BHAERN CC(C)=C1CC[C@H](C)C2=C(C1)[C@H](C)[C@@H]1O[C@H]21 ZINC000299754770 188397272 /nfs/dbraw/zinc/39/72/72/188397272.db2.gz PQGBDQWGLRLELN-FCIDVOKBSA-N 0 0 218.340 3.857 10 0 BHAERN CC(C)=C1CC[C@H](C)C2=C(C1)[C@H](C)[C@H]1O[C@@H]21 ZINC000299754771 188396829 /nfs/dbraw/zinc/39/68/29/188396829.db2.gz PQGBDQWGLRLELN-MISXLKTNSA-N 0 0 218.340 3.857 10 0 BHAERN CCn1ccn2ccc(-c3ccc(C)cc3)c21 ZINC000299803303 398144830 /nfs/dbraw/zinc/14/48/30/398144830.db2.gz HLYPEUMLJTZUJC-UHFFFAOYSA-N 0 0 224.307 3.736 10 0 BHAERN CCC(=O)OCc1ccc(C(C)(C)C)cc1C ZINC000299803322 398144742 /nfs/dbraw/zinc/14/47/42/398144742.db2.gz IIXZNUOCYKZNSD-UHFFFAOYSA-N 0 0 234.339 3.746 10 0 BHAERN Cc1ccc2c(C)c(Br)ccc2n1 ZINC000299889273 386498316 /nfs/dbraw/zinc/49/83/16/386498316.db2.gz GRZXEEDYZZOZQJ-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1F ZINC000299889312 386498041 /nfs/dbraw/zinc/49/80/41/386498041.db2.gz HKFRYGOHXVPVIU-UHFFFAOYSA-N 0 0 249.285 3.872 10 0 BHAERN CC(C)(C)c1nc(Cl)c2ccc(F)cc2n1 ZINC000299889344 386498096 /nfs/dbraw/zinc/49/80/96/386498096.db2.gz HZPSXXQPXAOLNP-UHFFFAOYSA-N 0 0 238.693 3.720 10 0 BHAERN CC(C)(C)OC(=O)Nc1cc(Cl)cs1 ZINC000299889490 386497887 /nfs/dbraw/zinc/49/78/87/386497887.db2.gz KBXBRCLEXBBOAM-UHFFFAOYSA-N 0 0 233.720 3.749 10 0 BHAERN O=C1CCCc2cc(C(F)(F)F)c(Cl)cc21 ZINC000299889510 386498599 /nfs/dbraw/zinc/49/85/99/386498599.db2.gz KJWKYWJYUAJTGC-UHFFFAOYSA-N 0 0 248.631 3.878 10 0 BHAERN Cc1ccc2cc(Br)c(C)cc2n1 ZINC000299889738 386498019 /nfs/dbraw/zinc/49/80/19/386498019.db2.gz NZIOPBIUOWNEBW-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Cc1ccc2cc(C(F)(F)F)cc(C)c2n1 ZINC000299889758 386498453 /nfs/dbraw/zinc/49/84/53/386498453.db2.gz OGNGQGCXJKWMKL-UHFFFAOYSA-N 0 0 225.213 3.870 10 0 BHAERN CC(=O)c1c(C)cc(Br)cc1Cl ZINC000299889805 386497908 /nfs/dbraw/zinc/49/79/08/386497908.db2.gz OYDCIXJIGFRLFO-UHFFFAOYSA-N 0 0 247.519 3.614 10 0 BHAERN Nc1csc2c1cccc2C(F)(F)F ZINC000299889848 386497991 /nfs/dbraw/zinc/49/79/91/386497991.db2.gz PQQJTYATNRSILU-UHFFFAOYSA-N 0 0 217.215 3.502 10 0 BHAERN Cc1ccc2c(Br)ccc(C)c2n1 ZINC000299890237 386498223 /nfs/dbraw/zinc/49/82/23/386498223.db2.gz WINDLYJWLILXKY-UHFFFAOYSA-N 0 0 236.112 3.614 10 0 BHAERN Nc1csc2cccc(C(F)(F)F)c12 ZINC000299890384 386498674 /nfs/dbraw/zinc/49/86/74/386498674.db2.gz YTADTEAQNCWATK-UHFFFAOYSA-N 0 0 217.215 3.502 10 0 BHAERN Cc1cc(Br)cc2c1N[C@H](C)CC2 ZINC000299890418 177723194 /nfs/dbraw/zinc/72/31/94/177723194.db2.gz ZKGLULXMSUXBDX-MRVPVSSYSA-N 0 0 240.144 3.504 10 0 BHAERN Cc1cc(Br)cc2c1N[C@@H](C)CC2 ZINC000299890419 386497828 /nfs/dbraw/zinc/49/78/28/386497828.db2.gz ZKGLULXMSUXBDX-QMMMGPOBSA-N 0 0 240.144 3.504 10 0 BHAERN Clc1cc(N2CC[C@@H]3CCCC[C@H]32)ccn1 ZINC000299891297 384503515 /nfs/dbraw/zinc/50/35/15/384503515.db2.gz MHRYROZMWYSWDW-CMPLNLGQSA-N 0 0 236.746 3.504 10 0 BHAERN Clc1cc(N2CC[C@H]3CCCC[C@H]32)ccn1 ZINC000299891298 384502832 /nfs/dbraw/zinc/50/28/32/384502832.db2.gz MHRYROZMWYSWDW-ZYHUDNBSSA-N 0 0 236.746 3.504 10 0 BHAERN Cc1cc(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)sc1Cl ZINC000299895917 349277424 /nfs/dbraw/zinc/27/74/24/349277424.db2.gz FRWXIEYBHHFYBD-MBTKJCJQSA-N 0 0 240.755 3.939 10 0 BHAERN Cc1sccc1[C@H](O)[C@@H]1CC[C@H](C)C1 ZINC000299896872 349277539 /nfs/dbraw/zinc/27/75/39/349277539.db2.gz DYYLZQQHLHHXKR-MKPLZMMCSA-N 0 0 210.342 3.526 10 0 BHAERN Cc1sccc1[C@H](O)[C@H]1CC[C@H](C)C1 ZINC000299896873 349277625 /nfs/dbraw/zinc/27/76/25/349277625.db2.gz DYYLZQQHLHHXKR-PTOFAABTSA-N 0 0 210.342 3.526 10 0 BHAERN CCC[C@H](C)c1cc2n(n1)[C@@H](C)C[C@H](C)N2 ZINC000300024798 537802062 /nfs/dbraw/zinc/80/20/62/537802062.db2.gz GQWLDZUURYIFQQ-DCAQKATOSA-N 0 0 221.348 3.552 10 0 BHAERN CCC[C@H](C)c1cc2n(n1)[C@H](C)C[C@H](C)N2 ZINC000300024799 537802762 /nfs/dbraw/zinc/80/27/62/537802762.db2.gz GQWLDZUURYIFQQ-GARJFASQSA-N 0 0 221.348 3.552 10 0 BHAERN Cc1csc([C@@H]2CS[C@@H](C)[C@H](C)S2)n1 ZINC000300030216 357173902 /nfs/dbraw/zinc/17/39/02/357173902.db2.gz QHGSNLZQXRSDOA-CIUDSAMLSA-N 0 0 245.438 3.750 10 0 BHAERN Cc1csc([C@@H]2CS[C@H](C)[C@H](C)S2)n1 ZINC000300030217 357173857 /nfs/dbraw/zinc/17/38/57/357173857.db2.gz QHGSNLZQXRSDOA-VGMNWLOBSA-N 0 0 245.438 3.750 10 0 BHAERN Cc1ccsc1[C@H](O)[C@H]1CCC[C@H]1C ZINC000300233328 358589261 /nfs/dbraw/zinc/58/92/61/358589261.db2.gz KHKGRJJLXIWENK-DVVUODLYSA-N 0 0 210.342 3.526 10 0 BHAERN Cc1ccsc1[C@H](O)[C@@H]1CCC[C@H]1C ZINC000300233329 358589438 /nfs/dbraw/zinc/58/94/38/358589438.db2.gz KHKGRJJLXIWENK-FBIMIBRVSA-N 0 0 210.342 3.526 10 0 BHAERN Cc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000300433041 345868891 /nfs/dbraw/zinc/86/88/91/345868891.db2.gz VQHYACSMQHDTDY-JGPRNRPPSA-N 0 0 249.741 3.633 10 0 BHAERN CCCC[C@H](CCC)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300691743 385307392 /nfs/dbraw/zinc/30/73/92/385307392.db2.gz YPRJOVXSTIAVFG-CRWXNKLISA-N 0 0 237.387 3.508 10 0 BHAERN CCCC[C@@H](CCC)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300691745 385306954 /nfs/dbraw/zinc/30/69/54/385306954.db2.gz YPRJOVXSTIAVFG-XJFOESAGSA-N 0 0 237.387 3.508 10 0 BHAERN Cc1ccc(Cl)c2c1NCCC2(C)C ZINC000300772023 360487688 /nfs/dbraw/zinc/48/76/88/360487688.db2.gz CVURJPZTYYJLHS-UHFFFAOYSA-N 0 0 209.720 3.742 10 0 BHAERN C[C@]1(C[C@@H]2CCC(F)(F)C2)CCC(=O)C1 ZINC000300791699 360502729 /nfs/dbraw/zinc/50/27/29/360502729.db2.gz BUYUKMVKXWSLKH-GXSJLCMTSA-N 0 0 216.271 3.571 10 0 BHAERN C[C@@]1(C[C@H]2CCC(F)(F)C2)CCC(=O)C1 ZINC000300791701 360503085 /nfs/dbraw/zinc/50/30/85/360503085.db2.gz BUYUKMVKXWSLKH-KOLCDFICSA-N 0 0 216.271 3.571 10 0 BHAERN C[C@]1(C[C@H]2CCC(F)(F)C2)CCC(=O)C1 ZINC000300791703 360502912 /nfs/dbraw/zinc/50/29/12/360502912.db2.gz BUYUKMVKXWSLKH-MWLCHTKSSA-N 0 0 216.271 3.571 10 0 BHAERN C[C@@]1(C[C@@H]2CCC(F)(F)C2)CCC(=O)C1 ZINC000300791705 360502568 /nfs/dbraw/zinc/50/25/68/360502568.db2.gz BUYUKMVKXWSLKH-ONGXEEELSA-N 0 0 216.271 3.571 10 0 BHAERN CCC[C@@H](CC)Nc1cn(C)nc1C(C)C ZINC000300799443 528923959 /nfs/dbraw/zinc/92/39/59/528923959.db2.gz DQNKEWRFARYSCO-LLVKDONJSA-N 0 0 223.364 3.534 10 0 BHAERN CCC[C@H](CC)Nc1cn(C)nc1C(C)C ZINC000300799445 528107410 /nfs/dbraw/zinc/10/74/10/528107410.db2.gz DQNKEWRFARYSCO-NSHDSACASA-N 0 0 223.364 3.534 10 0 BHAERN O=C(c1cccs1)[C@@H]1CCCC(F)(F)C1 ZINC000300834469 360531230 /nfs/dbraw/zinc/53/12/30/360531230.db2.gz FSYFPDWUUQPLRK-MRVPVSSYSA-N 0 0 230.279 3.756 10 0 BHAERN O=C(c1cccs1)[C@H]1CCCC(F)(F)C1 ZINC000300834470 360531485 /nfs/dbraw/zinc/53/14/85/360531485.db2.gz FSYFPDWUUQPLRK-QMMMGPOBSA-N 0 0 230.279 3.756 10 0 BHAERN CC(C)C[C@@H](C)c1nc(Cl)cc(Cl)n1 ZINC000300843074 352576631 /nfs/dbraw/zinc/57/66/31/352576631.db2.gz KCGBCGQRHDKHRV-SSDOTTSWSA-N 0 0 233.142 3.933 10 0 BHAERN CC(C)C[C@H](C)c1nc(Cl)cc(Cl)n1 ZINC000300843078 352576829 /nfs/dbraw/zinc/57/68/29/352576829.db2.gz KCGBCGQRHDKHRV-ZETCQYMHSA-N 0 0 233.142 3.933 10 0 BHAERN Cc1cccc(NCC(F)(F)F)c1Cl ZINC000300852199 538035874 /nfs/dbraw/zinc/03/58/74/538035874.db2.gz HMONXMAJFHENEH-UHFFFAOYSA-N 0 0 223.625 3.623 10 0 BHAERN Nc1ncc(C2CCCCCCC2)s1 ZINC000300860054 352577813 /nfs/dbraw/zinc/57/78/13/352577813.db2.gz NKSADMSMCYMXFT-UHFFFAOYSA-N 0 0 210.346 3.553 10 0 BHAERN Cc1cc(Cl)c2c(c1)C(C)(C)CCN2 ZINC000300862719 352577496 /nfs/dbraw/zinc/57/74/96/352577496.db2.gz VPCCCRFXUMMICH-UHFFFAOYSA-N 0 0 209.720 3.742 10 0 BHAERN Cc1cccc(NCCC2CC2)c1Cl ZINC000300871323 363091732 /nfs/dbraw/zinc/09/17/32/363091732.db2.gz KWIKLVXMPQWKCM-UHFFFAOYSA-N 0 0 209.720 3.860 10 0 BHAERN CC1(C)CCNc2c(Cl)ccc(F)c21 ZINC000300875507 363092497 /nfs/dbraw/zinc/09/24/97/363092497.db2.gz YCRPPRSNIRVELT-UHFFFAOYSA-N 0 0 213.683 3.572 10 0 BHAERN CC(C)(C)CCCNOCc1ccccc1 ZINC000300877353 363092648 /nfs/dbraw/zinc/09/26/48/363092648.db2.gz OABAKIIZAYYLBN-UHFFFAOYSA-N 0 0 221.344 3.534 10 0 BHAERN COc1ccc(C)c2nc(Cl)c(C)cc12 ZINC000300882283 363100052 /nfs/dbraw/zinc/10/00/52/363100052.db2.gz MYHDQPXTHDFBRO-UHFFFAOYSA-N 0 0 221.687 3.514 10 0 BHAERN O=C([C@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000300896519 363108783 /nfs/dbraw/zinc/10/87/83/363108783.db2.gz NCORAGVATVWJLH-JTQLQIEISA-N 0 0 216.271 3.571 10 0 BHAERN O=C([C@@H]1CCC(F)(F)C1)C1CCCCC1 ZINC000300896521 363108926 /nfs/dbraw/zinc/10/89/26/363108926.db2.gz NCORAGVATVWJLH-SNVBAGLBSA-N 0 0 216.271 3.571 10 0 BHAERN Cc1sccc1C(=O)[C@@H]1CCC(F)(F)C1 ZINC000300908655 352578985 /nfs/dbraw/zinc/57/89/85/352578985.db2.gz OLBUGPVNQAHBBG-MRVPVSSYSA-N 0 0 230.279 3.675 10 0 BHAERN Cc1sccc1C(=O)[C@H]1CCC(F)(F)C1 ZINC000300908657 352579017 /nfs/dbraw/zinc/57/90/17/352579017.db2.gz OLBUGPVNQAHBBG-QMMMGPOBSA-N 0 0 230.279 3.675 10 0 BHAERN Cc1ccc2c(Cl)ccnc2c1Cl ZINC000300910544 352578803 /nfs/dbraw/zinc/57/88/03/352578803.db2.gz RRSXAYKFLGWIHS-UHFFFAOYSA-N 0 0 212.079 3.850 10 0 BHAERN Cc1cccc(N[C@H](C)CC(C)C)c1F ZINC000300921535 225266583 /nfs/dbraw/zinc/26/65/83/225266583.db2.gz HAQSUKWKYWXALV-LLVKDONJSA-N 0 0 209.308 3.981 10 0 BHAERN Cc1cccc(N[C@@H](C)CC(C)C)c1F ZINC000300921536 534748340 /nfs/dbraw/zinc/74/83/40/534748340.db2.gz HAQSUKWKYWXALV-NSHDSACASA-N 0 0 209.308 3.981 10 0 BHAERN O=C(c1ccsc1)[C@@H]1CCCC(F)(F)C1 ZINC000300923916 363149986 /nfs/dbraw/zinc/14/99/86/363149986.db2.gz QCMGVVGMGSWDCT-MRVPVSSYSA-N 0 0 230.279 3.756 10 0 BHAERN O=C(c1ccsc1)[C@H]1CCCC(F)(F)C1 ZINC000300923917 363150342 /nfs/dbraw/zinc/15/03/42/363150342.db2.gz QCMGVVGMGSWDCT-QMMMGPOBSA-N 0 0 230.279 3.756 10 0 BHAERN CC[C@@H](C)CNc1cnc(Cl)cc1C ZINC000300932934 363169175 /nfs/dbraw/zinc/16/91/75/363169175.db2.gz ITJLJXLVXGKVMQ-MRVPVSSYSA-N 0 0 212.724 3.501 10 0 BHAERN CC[C@H](C)CNc1cnc(Cl)cc1C ZINC000300932938 363169114 /nfs/dbraw/zinc/16/91/14/363169114.db2.gz ITJLJXLVXGKVMQ-QMMMGPOBSA-N 0 0 212.724 3.501 10 0 BHAERN Cc1cc(Cl)ccc1NCCC1CC1 ZINC000300945132 363177184 /nfs/dbraw/zinc/17/71/84/363177184.db2.gz KRWUZTQCSCLOCI-UHFFFAOYSA-N 0 0 209.720 3.860 10 0 BHAERN O=C(CC1CCCC1)[C@H]1CCC(F)(F)C1 ZINC000300961797 363229392 /nfs/dbraw/zinc/22/93/92/363229392.db2.gz VPIVKVGSTKTRGU-JTQLQIEISA-N 0 0 216.271 3.571 10 0 BHAERN O=C(CC1CCCC1)[C@@H]1CCC(F)(F)C1 ZINC000300961800 363228964 /nfs/dbraw/zinc/22/89/64/363228964.db2.gz VPIVKVGSTKTRGU-SNVBAGLBSA-N 0 0 216.271 3.571 10 0 BHAERN Cc1cc(Cl)nc([C@H](C)CC(C)C)n1 ZINC000300971035 363244683 /nfs/dbraw/zinc/24/46/83/363244683.db2.gz SBTIUNFJLKDXCQ-MRVPVSSYSA-N 0 0 212.724 3.588 10 0 BHAERN Cc1cc(Cl)nc([C@@H](C)CC(C)C)n1 ZINC000300971036 363244434 /nfs/dbraw/zinc/24/44/34/363244434.db2.gz SBTIUNFJLKDXCQ-QMMMGPOBSA-N 0 0 212.724 3.588 10 0 BHAERN CCc1cc(Cl)c2ccc(C)c(F)c2n1 ZINC000300972535 363244040 /nfs/dbraw/zinc/24/40/40/363244040.db2.gz PWAFCEPETNAUPM-UHFFFAOYSA-N 0 0 223.678 3.898 10 0 BHAERN O=C1CC[C@H](C[C@H]2CCCC(F)(F)C2)C1 ZINC000301001625 363284366 /nfs/dbraw/zinc/28/43/66/363284366.db2.gz VXEIXWPLACHEIG-NXEZZACHSA-N 0 0 216.271 3.571 10 0 BHAERN O=C1CC[C@@H](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000301001627 363284189 /nfs/dbraw/zinc/28/41/89/363284189.db2.gz VXEIXWPLACHEIG-UWVGGRQHSA-N 0 0 216.271 3.571 10 0 BHAERN O=C1CC[C@@H](C[C@H]2CCCC(F)(F)C2)C1 ZINC000301001629 363284600 /nfs/dbraw/zinc/28/46/00/363284600.db2.gz VXEIXWPLACHEIG-VHSXEESVSA-N 0 0 216.271 3.571 10 0 BHAERN O=C1CC[C@H](C[C@@H]2CCCC(F)(F)C2)C1 ZINC000301001631 363284672 /nfs/dbraw/zinc/28/46/72/363284672.db2.gz VXEIXWPLACHEIG-ZJUUUORDSA-N 0 0 216.271 3.571 10 0 BHAERN O=C(C[C@@H]1CCCC(F)(F)C1)C(F)(F)Cl ZINC000301010791 363294934 /nfs/dbraw/zinc/29/49/34/363294934.db2.gz XNWDCETWBCHELP-LURJTMIESA-N 0 0 246.631 3.603 10 0 BHAERN O=C(C[C@H]1CCCC(F)(F)C1)C(F)(F)Cl ZINC000301010793 363294327 /nfs/dbraw/zinc/29/43/27/363294327.db2.gz XNWDCETWBCHELP-ZCFIWIBFSA-N 0 0 246.631 3.603 10 0 BHAERN C[C@@H]1CCCCCCN1C(=O)OC(C)(C)C ZINC000301033883 537880169 /nfs/dbraw/zinc/88/01/69/537880169.db2.gz SMROHMXVVPWEHT-LLVKDONJSA-N 0 0 227.348 3.576 10 0 BHAERN C[C@H]1CCCCCCN1C(=O)OC(C)(C)C ZINC000301033884 537880075 /nfs/dbraw/zinc/88/00/75/537880075.db2.gz SMROHMXVVPWEHT-NSHDSACASA-N 0 0 227.348 3.576 10 0 BHAERN C[C@H]1C[C@H]1Nc1cc2ccccc2c(Cl)n1 ZINC000301151029 177386076 /nfs/dbraw/zinc/38/60/76/177386076.db2.gz KHWKHKGZBJVBHJ-GZMMTYOYSA-N 0 0 232.714 3.709 10 0 BHAERN C[C@@H]1C[C@@H]1Nc1cc2ccccc2c(Cl)n1 ZINC000301151030 176405045 /nfs/dbraw/zinc/40/50/45/176405045.db2.gz KHWKHKGZBJVBHJ-KCJUWKMLSA-N 0 0 232.714 3.709 10 0 BHAERN C[C@H]1C[C@@H]1Nc1cc2ccccc2c(Cl)n1 ZINC000301151031 177350979 /nfs/dbraw/zinc/35/09/79/177350979.db2.gz KHWKHKGZBJVBHJ-KWQFWETISA-N 0 0 232.714 3.709 10 0 BHAERN C[C@@H]1C[C@H]1Nc1cc2ccccc2c(Cl)n1 ZINC000301151032 384862725 /nfs/dbraw/zinc/86/27/25/384862725.db2.gz KHWKHKGZBJVBHJ-LDYMZIIASA-N 0 0 232.714 3.709 10 0 BHAERN C[C@@H]1C[C@H]1Nc1ccnc2ccc(Cl)cc21 ZINC000301255105 384863307 /nfs/dbraw/zinc/86/33/07/384863307.db2.gz FGAVCZTWVZQPPC-AMIZOPFISA-N 0 0 232.714 3.709 10 0 BHAERN C[C@H]1C[C@H]1Nc1ccnc2ccc(Cl)cc21 ZINC000301255107 384864229 /nfs/dbraw/zinc/86/42/29/384864229.db2.gz FGAVCZTWVZQPPC-ISVAXAHUSA-N 0 0 232.714 3.709 10 0 BHAERN C[C@@H]1C[C@@H]1Nc1ccnc2ccc(Cl)cc21 ZINC000301255109 384864272 /nfs/dbraw/zinc/86/42/72/384864272.db2.gz FGAVCZTWVZQPPC-OQPBUACISA-N 0 0 232.714 3.709 10 0 BHAERN C[C@H]1C[C@@H]1Nc1ccnc2ccc(Cl)cc21 ZINC000301255111 177350604 /nfs/dbraw/zinc/35/06/04/177350604.db2.gz FGAVCZTWVZQPPC-SDBXPKJASA-N 0 0 232.714 3.709 10 0 BHAERN CC(C)[C@H](C)Nc1ccnc2ccsc21 ZINC000301337582 397788158 /nfs/dbraw/zinc/78/81/58/397788158.db2.gz DPYOJOSEVBEMBW-VIFPVBQESA-N 0 0 220.341 3.753 10 0 BHAERN Cc1ccnc(N[C@H](C)CCC2CCCC2)n1 ZINC000301340797 179459788 /nfs/dbraw/zinc/45/97/88/179459788.db2.gz IDQQWSRBNKTTOD-LLVKDONJSA-N 0 0 233.359 3.556 10 0 BHAERN Cc1ccnc(N[C@@H](C)CCC2CCCC2)n1 ZINC000301340798 386834428 /nfs/dbraw/zinc/83/44/28/386834428.db2.gz IDQQWSRBNKTTOD-NSHDSACASA-N 0 0 233.359 3.556 10 0 BHAERN Cc1cc(N[C@H](C)CCC2CCCC2)ncn1 ZINC000301363382 178186313 /nfs/dbraw/zinc/18/63/13/178186313.db2.gz PXGPZBLFJXBEHL-LLVKDONJSA-N 0 0 233.359 3.556 10 0 BHAERN Cc1cc(N[C@@H](C)CCC2CCCC2)ncn1 ZINC000301363383 386837941 /nfs/dbraw/zinc/83/79/41/386837941.db2.gz PXGPZBLFJXBEHL-NSHDSACASA-N 0 0 233.359 3.556 10 0 BHAERN Cc1nnc(N[C@H](C)CCC2CCCC2)s1 ZINC000301365220 180436778 /nfs/dbraw/zinc/43/67/78/180436778.db2.gz QJYZCEILFKLKAC-SECBINFHSA-N 0 0 239.388 3.617 10 0 BHAERN Cc1nnc(N[C@@H](C)CCC2CCCC2)s1 ZINC000301365221 490676032 /nfs/dbraw/zinc/67/60/32/490676032.db2.gz QJYZCEILFKLKAC-VIFPVBQESA-N 0 0 239.388 3.617 10 0 BHAERN C/C=C/CCNc1ccnc2ccsc21 ZINC000301396248 188336819 /nfs/dbraw/zinc/33/68/19/188336819.db2.gz MPSMRUYRNFNTBT-NSCUHMNNSA-N 0 0 218.325 3.674 10 0 BHAERN CCC[C@H]1C[C@@H]1Nc1cccc(F)c1C(C)=O ZINC000301419894 386843061 /nfs/dbraw/zinc/84/30/61/386843061.db2.gz DPATYKIEDZSKBL-GWCFXTLKSA-N 0 0 235.302 3.629 10 0 BHAERN CCC[C@H]1C[C@H]1Nc1cccc(F)c1C(C)=O ZINC000301419895 386843730 /nfs/dbraw/zinc/84/37/30/386843730.db2.gz DPATYKIEDZSKBL-GXFFZTMASA-N 0 0 235.302 3.629 10 0 BHAERN CCC[C@@H]1C[C@@H]1Nc1cccc(F)c1C(C)=O ZINC000301419896 169434886 /nfs/dbraw/zinc/43/48/86/169434886.db2.gz DPATYKIEDZSKBL-MFKMUULPSA-N 0 0 235.302 3.629 10 0 BHAERN CCC[C@@H]1C[C@H]1Nc1cccc(F)c1C(C)=O ZINC000301419897 169442607 /nfs/dbraw/zinc/44/26/07/169442607.db2.gz DPATYKIEDZSKBL-ZWNOBZJWSA-N 0 0 235.302 3.629 10 0 BHAERN FC(F)CNc1ccnc2ccc(Cl)cc21 ZINC000301420904 384875809 /nfs/dbraw/zinc/87/58/09/384875809.db2.gz IBLAQXADLUZQOJ-UHFFFAOYSA-N 0 0 242.656 3.565 10 0 BHAERN FC(F)CNc1cc2ccccc2c(Cl)n1 ZINC000301429594 384874739 /nfs/dbraw/zinc/87/47/39/384874739.db2.gz NMZAPJRFHCTKLF-UHFFFAOYSA-N 0 0 242.656 3.565 10 0 BHAERN C[C@H]1C[C@H]1Nc1ncc(-c2ccccc2)s1 ZINC000301495383 384879544 /nfs/dbraw/zinc/87/95/44/384879544.db2.gz BJIYGTCOGRZBKC-GXSJLCMTSA-N 0 0 230.336 3.630 10 0 BHAERN C[C@@H]1C[C@@H]1Nc1ncc(-c2ccccc2)s1 ZINC000301495384 384879493 /nfs/dbraw/zinc/87/94/93/384879493.db2.gz BJIYGTCOGRZBKC-KOLCDFICSA-N 0 0 230.336 3.630 10 0 BHAERN C[C@@H]1C[C@H]1Nc1ncc(-c2ccccc2)s1 ZINC000301495385 384881253 /nfs/dbraw/zinc/88/12/53/384881253.db2.gz BJIYGTCOGRZBKC-MWLCHTKSSA-N 0 0 230.336 3.630 10 0 BHAERN C[C@H]1C[C@@H]1Nc1ncc(-c2ccccc2)s1 ZINC000301495386 177350707 /nfs/dbraw/zinc/35/07/07/177350707.db2.gz BJIYGTCOGRZBKC-ONGXEEELSA-N 0 0 230.336 3.630 10 0 BHAERN Cc1cc(CNc2ccncc2Cl)c(C)o1 ZINC000301520214 178044435 /nfs/dbraw/zinc/04/44/35/178044435.db2.gz MYRIKAIJJSYPLN-UHFFFAOYSA-N 0 0 236.702 3.557 10 0 BHAERN Clc1cnccc1N1CC[C@@H]2CCCC[C@H]21 ZINC000301549467 386854507 /nfs/dbraw/zinc/85/45/07/386854507.db2.gz FTHZULFDPNPRPX-CMPLNLGQSA-N 0 0 236.746 3.504 10 0 BHAERN Clc1cnccc1N1CC[C@H]2CCCC[C@H]21 ZINC000301549469 386852454 /nfs/dbraw/zinc/85/24/54/386852454.db2.gz FTHZULFDPNPRPX-ZYHUDNBSSA-N 0 0 236.746 3.504 10 0 BHAERN Clc1cnccc1N[C@@H]1CCc2ccccc21 ZINC000301570704 386856471 /nfs/dbraw/zinc/85/64/71/386856471.db2.gz KWLTUMRBYTWHNF-CYBMUJFWSA-N 0 0 244.725 3.834 10 0 BHAERN Clc1cnccc1N[C@H]1CCc2ccccc21 ZINC000301570706 386855435 /nfs/dbraw/zinc/85/54/35/386855435.db2.gz KWLTUMRBYTWHNF-ZDUSSCGKSA-N 0 0 244.725 3.834 10 0 BHAERN CCC(CC)N(C)c1ncnc2cccc(C)c21 ZINC000301599244 168369669 /nfs/dbraw/zinc/36/96/69/168369669.db2.gz YDNJPIVXQGHSNX-UHFFFAOYSA-N 0 0 243.354 3.563 10 0 BHAERN Cc1cc(CNc2ccnc(Cl)c2)c(C)o1 ZINC000301633143 178044315 /nfs/dbraw/zinc/04/43/15/178044315.db2.gz UWXUHIQFOAEUCB-UHFFFAOYSA-N 0 0 236.702 3.557 10 0 BHAERN CC1CCC(CNc2ccc3c(c2)COC3)CC1 ZINC000301718622 528184682 /nfs/dbraw/zinc/18/46/82/528184682.db2.gz IELRTMNYJIFPLG-UHFFFAOYSA-N 0 0 245.366 3.955 10 0 BHAERN C/C=C/CCNc1nc(C(F)(F)F)cs1 ZINC000301726708 188336648 /nfs/dbraw/zinc/33/66/48/188336648.db2.gz NCSYVFOUTYYOBJ-NSCUHMNNSA-N 0 0 236.262 3.540 10 0 BHAERN C[C@@H]1C[C@H](C)CCN(c2ccnc(Cl)c2)C1 ZINC000301761023 176182029 /nfs/dbraw/zinc/18/20/29/176182029.db2.gz CPYPVUBFUXXNFK-GHMZBOCLSA-N 0 0 238.762 3.607 10 0 BHAERN C[C@@H]1CCN(c2ccnc(Cl)c2)C[C@@H](C)C1 ZINC000301761024 176181693 /nfs/dbraw/zinc/18/16/93/176181693.db2.gz CPYPVUBFUXXNFK-MNOVXSKESA-N 0 0 238.762 3.607 10 0 BHAERN C[C@H]1CCN(c2ccnc(Cl)c2)C[C@@H](C)C1 ZINC000301761025 177310301 /nfs/dbraw/zinc/31/03/01/177310301.db2.gz CPYPVUBFUXXNFK-QWRGUYRKSA-N 0 0 238.762 3.607 10 0 BHAERN C[C@H]1CCN(c2ccnc(Cl)c2)C[C@H](C)C1 ZINC000301761026 177171816 /nfs/dbraw/zinc/17/18/16/177171816.db2.gz CPYPVUBFUXXNFK-WDEREUQCSA-N 0 0 238.762 3.607 10 0 BHAERN CCc1sc([C@H](C)Nc2ncccn2)cc1C ZINC000301779672 172129671 /nfs/dbraw/zinc/12/96/71/172129671.db2.gz QYOLTFJQJXAKSZ-JTQLQIEISA-N 0 0 247.367 3.582 10 0 BHAERN CCc1sc([C@@H](C)Nc2ncccn2)cc1C ZINC000301779674 172129651 /nfs/dbraw/zinc/12/96/51/172129651.db2.gz QYOLTFJQJXAKSZ-SNVBAGLBSA-N 0 0 247.367 3.582 10 0 BHAERN CCc1sc([C@H](C)Nc2cnccn2)cc1C ZINC000301783344 172129227 /nfs/dbraw/zinc/12/92/27/172129227.db2.gz UGIDYOOAKIVYOM-JTQLQIEISA-N 0 0 247.367 3.582 10 0 BHAERN CCc1sc([C@@H](C)Nc2cnccn2)cc1C ZINC000301783345 172129495 /nfs/dbraw/zinc/12/94/95/172129495.db2.gz UGIDYOOAKIVYOM-SNVBAGLBSA-N 0 0 247.367 3.582 10 0 BHAERN CC(C)CCCCNc1nnc(C2CC2)s1 ZINC000301792022 384921241 /nfs/dbraw/zinc/92/12/41/384921241.db2.gz WWHYOLCEEOVNJM-UHFFFAOYSA-N 0 0 239.388 3.654 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1ncc(C)c(C)n1 ZINC000301882481 179322570 /nfs/dbraw/zinc/32/25/70/179322570.db2.gz MVZCMKZMHTWZNI-CYBMUJFWSA-N 0 0 241.338 3.575 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1ncc(C)c(C)n1 ZINC000301882482 179340651 /nfs/dbraw/zinc/34/06/51/179340651.db2.gz MVZCMKZMHTWZNI-ZDUSSCGKSA-N 0 0 241.338 3.575 10 0 BHAERN CC[C@@H](Nc1ncc(C)c(C)n1)c1cccs1 ZINC000301926783 170917395 /nfs/dbraw/zinc/91/73/95/170917395.db2.gz ZDUCSEIOLQYLNZ-LLVKDONJSA-N 0 0 247.367 3.718 10 0 BHAERN CC[C@H](Nc1ncc(C)c(C)n1)c1cccs1 ZINC000301926784 384946441 /nfs/dbraw/zinc/94/64/41/384946441.db2.gz ZDUCSEIOLQYLNZ-NSHDSACASA-N 0 0 247.367 3.718 10 0 BHAERN C[C@@H](Nc1ncnc2ccc(F)cc21)C(C)(C)C ZINC000301948132 175938933 /nfs/dbraw/zinc/93/89/33/175938933.db2.gz DMWQSPIVXFAQGJ-SECBINFHSA-N 0 0 247.317 3.615 10 0 BHAERN CCC(CC)N(C)c1ncnc2ccc(C)cc21 ZINC000301952170 168368370 /nfs/dbraw/zinc/36/83/70/168368370.db2.gz ICFCUEPGWHWQBQ-UHFFFAOYSA-N 0 0 243.354 3.563 10 0 BHAERN Clc1cc(N[C@H]2C=CCCC2)nc(C2CC2)n1 ZINC000301975975 180576218 /nfs/dbraw/zinc/57/62/18/180576218.db2.gz VXVALRCYZRXGML-JTQLQIEISA-N 0 0 249.745 3.528 10 0 BHAERN Clc1cc(N[C@@H]2C=CCCC2)nc(C2CC2)n1 ZINC000301975976 180576348 /nfs/dbraw/zinc/57/63/48/180576348.db2.gz VXVALRCYZRXGML-SNVBAGLBSA-N 0 0 249.745 3.528 10 0 BHAERN Cc1cccc(NCc2ccc(Cl)c(C)c2)n1 ZINC000302046134 179150377 /nfs/dbraw/zinc/15/03/77/179150377.db2.gz UTSKYYPHWDPQJF-UHFFFAOYSA-N 0 0 246.741 3.964 10 0 BHAERN Cc1cnc(N[C@H](C)c2ccccc2C)s1 ZINC000302083208 179641417 /nfs/dbraw/zinc/64/14/17/179641417.db2.gz DCESHCLEIUESFN-LLVKDONJSA-N 0 0 232.352 3.933 10 0 BHAERN Cc1cnc(N[C@@H](C)c2ccccc2C)s1 ZINC000302083210 384963632 /nfs/dbraw/zinc/96/36/32/384963632.db2.gz DCESHCLEIUESFN-NSHDSACASA-N 0 0 232.352 3.933 10 0 BHAERN Cc1cnc(N[C@H]2CCc3ccccc32)s1 ZINC000302103741 384961530 /nfs/dbraw/zinc/96/15/30/384961530.db2.gz MKYVKCPUTQVAOA-LBPRGKRZSA-N 0 0 230.336 3.551 10 0 BHAERN CCCCCNc1nccc2oc(C)cc21 ZINC000302153747 384975954 /nfs/dbraw/zinc/97/59/54/384975954.db2.gz CUGFKLXBSDKLTR-UHFFFAOYSA-N 0 0 218.300 3.738 10 0 BHAERN CCC(CC)Nc1nccc2oc(C)cc21 ZINC000302159202 168394776 /nfs/dbraw/zinc/39/47/76/168394776.db2.gz GHXWKCDGAPOMCH-UHFFFAOYSA-N 0 0 218.300 3.737 10 0 BHAERN Cc1cc2c(ccnc2NCCC(C)C)o1 ZINC000302190611 178279149 /nfs/dbraw/zinc/27/91/49/178279149.db2.gz YMWGFFCQIGGHEH-UHFFFAOYSA-N 0 0 218.300 3.594 10 0 BHAERN CC[C@H]1CC[C@@H](Nc2cn(C)nc2C(C)C)C1 ZINC000302195716 529249619 /nfs/dbraw/zinc/24/96/19/529249619.db2.gz AIBZRESAOKABGF-NWDGAFQWSA-N 0 0 235.375 3.534 10 0 BHAERN Cc1ccc([C@@H](C)Nc2cn(C)nc2C(C)C)o1 ZINC000302197407 487774736 /nfs/dbraw/zinc/77/47/36/487774736.db2.gz UOHRERPRCBIJIL-LLVKDONJSA-N 0 0 247.342 3.618 10 0 BHAERN Cc1ccc([C@H](C)Nc2cn(C)nc2C(C)C)o1 ZINC000302197408 178901008 /nfs/dbraw/zinc/90/10/08/178901008.db2.gz UOHRERPRCBIJIL-NSHDSACASA-N 0 0 247.342 3.618 10 0 BHAERN CC(C)c1nn(C)cc1N[C@@H](C)c1cccs1 ZINC000302197425 487774801 /nfs/dbraw/zinc/77/48/01/487774801.db2.gz VMQGJWINANDRTF-JTQLQIEISA-N 0 0 249.383 3.778 10 0 BHAERN CC(C)c1nn(C)cc1N[C@H](C)c1cccs1 ZINC000302197426 487775168 /nfs/dbraw/zinc/77/51/68/487775168.db2.gz VMQGJWINANDRTF-SNVBAGLBSA-N 0 0 249.383 3.778 10 0 BHAERN CC(C)c1nn(C)cc1N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000302197435 528402181 /nfs/dbraw/zinc/40/21/81/528402181.db2.gz VYXGYPVHWJDSNT-JYAVWHMHSA-N 0 0 249.402 3.780 10 0 BHAERN CC(C)c1nn(C)cc1NC1[C@@H](C)CCC[C@@H]1C ZINC000302197436 528403142 /nfs/dbraw/zinc/40/31/42/528403142.db2.gz VYXGYPVHWJDSNT-RYUDHWBXSA-N 0 0 249.402 3.780 10 0 BHAERN CC(C)c1nn(C)cc1NC1[C@H](C)CCC[C@H]1C ZINC000302197437 528402904 /nfs/dbraw/zinc/40/29/04/528402904.db2.gz VYXGYPVHWJDSNT-VXGBXAGGSA-N 0 0 249.402 3.780 10 0 BHAERN Cc1cc2c(ccnc2N2CCCC3(CC3)C2)o1 ZINC000302249527 132262376 /nfs/dbraw/zinc/26/23/76/132262376.db2.gz MJGUKMFPGIGXSF-UHFFFAOYSA-N 0 0 242.322 3.517 10 0 BHAERN CN(C)c1ccc(C(=O)CCC2CCCC2)cc1 ZINC000302269360 371567548 /nfs/dbraw/zinc/56/75/48/371567548.db2.gz QXXMZPQEJZGWLW-UHFFFAOYSA-N 0 0 245.366 3.906 10 0 BHAERN CC(C)Cc1nsc(N[C@H](C)C(C)(C)C)n1 ZINC000302295845 191119957 /nfs/dbraw/zinc/11/99/57/191119957.db2.gz OMPAWAFOQFLVDK-SECBINFHSA-N 0 0 241.404 3.583 10 0 BHAERN CC(C)Cc1nsc(N[C@@H](C)C(C)(C)C)n1 ZINC000302295846 191119709 /nfs/dbraw/zinc/11/97/09/191119709.db2.gz OMPAWAFOQFLVDK-VIFPVBQESA-N 0 0 241.404 3.583 10 0 BHAERN CCn1cccc1CNc1cccc(C)c1F ZINC000302326267 172208733 /nfs/dbraw/zinc/20/87/33/172208733.db2.gz RBLJSNVXJTXNMH-UHFFFAOYSA-N 0 0 232.302 3.568 10 0 BHAERN Cc1ccccc1[C@@H](C)Nc1cc(C)c(C)nn1 ZINC000302340868 179323556 /nfs/dbraw/zinc/32/35/56/179323556.db2.gz WPWVOMLJDFVPLC-CYBMUJFWSA-N 0 0 241.338 3.575 10 0 BHAERN Cc1ccccc1[C@H](C)Nc1cc(C)c(C)nn1 ZINC000302340873 386921688 /nfs/dbraw/zinc/92/16/88/386921688.db2.gz WPWVOMLJDFVPLC-ZDUSSCGKSA-N 0 0 241.338 3.575 10 0 BHAERN CC(C)C[C@@H](C)COc1cccc([C@@H](C)O)c1 ZINC000302377198 592547781 /nfs/dbraw/zinc/54/77/81/592547781.db2.gz PEOMIKNMFKWRBE-CHWSQXEVSA-N 0 0 236.355 3.801 10 0 BHAERN CC(C)C[C@H](C)COc1cccc([C@@H](C)O)c1 ZINC000302377199 592547836 /nfs/dbraw/zinc/54/78/36/592547836.db2.gz PEOMIKNMFKWRBE-QWHCGFSZSA-N 0 0 236.355 3.801 10 0 BHAERN CCCCc1ccc(N[C@H](C)c2cn[nH]c2)cc1 ZINC000302394805 529027256 /nfs/dbraw/zinc/02/72/56/529027256.db2.gz NQOFPKZEKYTJIR-GFCCVEGCSA-N 0 0 243.354 3.925 10 0 BHAERN CCCCc1ccc(N[C@@H](C)c2cn[nH]c2)cc1 ZINC000302394806 529026970 /nfs/dbraw/zinc/02/69/70/529026970.db2.gz NQOFPKZEKYTJIR-LBPRGKRZSA-N 0 0 243.354 3.925 10 0 BHAERN CN(c1ccnc2c(F)cc(F)cc12)C1CCC1 ZINC000302407946 172951336 /nfs/dbraw/zinc/95/13/36/172951336.db2.gz GZPKMZZOWLETDR-UHFFFAOYSA-N 0 0 248.276 3.502 10 0 BHAERN Fc1cc(F)c2nccc(NCCC3CC3)c2c1 ZINC000302498773 386925114 /nfs/dbraw/zinc/92/51/14/386925114.db2.gz KVTMZUSJMWTUNM-UHFFFAOYSA-N 0 0 248.276 3.725 10 0 BHAERN Cc1cc2c(ccnc2N[C@@H]2CC[C@H](C)C2)o1 ZINC000302568087 178280877 /nfs/dbraw/zinc/28/08/77/178280877.db2.gz XNYJOEPUGKRSMO-GXSJLCMTSA-N 0 0 230.311 3.737 10 0 BHAERN Cc1cc2c(ccnc2N[C@H]2CC[C@@H](C)C2)o1 ZINC000302568090 178282566 /nfs/dbraw/zinc/28/25/66/178282566.db2.gz XNYJOEPUGKRSMO-KOLCDFICSA-N 0 0 230.311 3.737 10 0 BHAERN Cc1cc2c(ccnc2N[C@@H]2CC[C@@H](C)C2)o1 ZINC000302568093 178280975 /nfs/dbraw/zinc/28/09/75/178280975.db2.gz XNYJOEPUGKRSMO-MWLCHTKSSA-N 0 0 230.311 3.737 10 0 BHAERN Cc1cc2c(ccnc2N[C@H]2CC[C@H](C)C2)o1 ZINC000302568096 178282670 /nfs/dbraw/zinc/28/26/70/178282670.db2.gz XNYJOEPUGKRSMO-ONGXEEELSA-N 0 0 230.311 3.737 10 0 BHAERN c1cc(N[C@H]2CCC[C@H]3C[C@H]32)cc2c1CCC2 ZINC000302650392 323028075 /nfs/dbraw/zinc/02/80/75/323028075.db2.gz HLAUEKWFXQORJD-IMJJTQAJSA-N 0 0 227.351 3.776 10 0 BHAERN c1cc(N[C@@H]2CCC[C@H]3C[C@H]32)cc2c1CCC2 ZINC000302650394 323028136 /nfs/dbraw/zinc/02/81/36/323028136.db2.gz HLAUEKWFXQORJD-NUEKZKHPSA-N 0 0 227.351 3.776 10 0 BHAERN Cc1ccccc1[C@@H](C)NC(=O)OC1CCCC1 ZINC000302707524 592551858 /nfs/dbraw/zinc/55/18/58/592551858.db2.gz XIQCZHVLFNPRSW-GFCCVEGCSA-N 0 0 247.338 3.725 10 0 BHAERN CC(C)=CCNc1nccc2oc(C)cc21 ZINC000302732158 187644560 /nfs/dbraw/zinc/64/45/60/187644560.db2.gz UCLMFMPFSFZGLN-UHFFFAOYSA-N 0 0 216.284 3.514 10 0 BHAERN CC(C)[C@H](C)Nc1ncc(C(F)(F)F)s1 ZINC000302747400 191120652 /nfs/dbraw/zinc/12/06/52/191120652.db2.gz GBCDWYURULKOPB-LURJTMIESA-N 0 0 238.278 3.618 10 0 BHAERN CC(C)[C@@H](C)Nc1ncc(C(F)(F)F)s1 ZINC000302747402 167388030 /nfs/dbraw/zinc/38/80/30/167388030.db2.gz GBCDWYURULKOPB-ZCFIWIBFSA-N 0 0 238.278 3.618 10 0 BHAERN Cc1cnc(N(C)Cc2ccc(C)cc2C)s1 ZINC000302814338 178557969 /nfs/dbraw/zinc/55/79/69/178557969.db2.gz BGHPBUHNUFHQNJ-UHFFFAOYSA-N 0 0 246.379 3.705 10 0 BHAERN Cc1cnc(N[C@H](C)c2cccs2)s1 ZINC000302830058 386938456 /nfs/dbraw/zinc/93/84/56/386938456.db2.gz KGVBEPFYBQUEKO-MRVPVSSYSA-N 0 0 224.354 3.686 10 0 BHAERN Cc1cnc(N[C@@H](C)c2cccs2)s1 ZINC000302830059 179638634 /nfs/dbraw/zinc/63/86/34/179638634.db2.gz KGVBEPFYBQUEKO-QMMMGPOBSA-N 0 0 224.354 3.686 10 0 BHAERN Cc1ccc(SC[C@@H](O)C(C)(C)C)c(C)c1 ZINC000302832695 229287816 /nfs/dbraw/zinc/28/78/16/229287816.db2.gz NXTPCGWBQNTCQE-CYBMUJFWSA-N 0 0 238.396 3.803 10 0 BHAERN Cc1ccc(SC[C@H](O)C(C)(C)C)c(C)c1 ZINC000302832696 229288375 /nfs/dbraw/zinc/28/83/75/229288375.db2.gz NXTPCGWBQNTCQE-ZDUSSCGKSA-N 0 0 238.396 3.803 10 0 BHAERN Cc1ccc(SC[C@@H](O)C(C)(C)C)cc1C ZINC000302832710 229288418 /nfs/dbraw/zinc/28/84/18/229288418.db2.gz PTPNFKDSYRKHMH-CYBMUJFWSA-N 0 0 238.396 3.803 10 0 BHAERN Cc1ccc(SC[C@H](O)C(C)(C)C)cc1C ZINC000302832711 229288677 /nfs/dbraw/zinc/28/86/77/229288677.db2.gz PTPNFKDSYRKHMH-ZDUSSCGKSA-N 0 0 238.396 3.803 10 0 BHAERN Cc1ccc(C)c(SC[C@@H](O)C(C)(C)C)c1 ZINC000302832972 229288299 /nfs/dbraw/zinc/28/82/99/229288299.db2.gz XCHOSCXIEODWMU-CYBMUJFWSA-N 0 0 238.396 3.803 10 0 BHAERN Cc1ccc(C)c(SC[C@H](O)C(C)(C)C)c1 ZINC000302832973 229288465 /nfs/dbraw/zinc/28/84/65/229288465.db2.gz XCHOSCXIEODWMU-ZDUSSCGKSA-N 0 0 238.396 3.803 10 0 BHAERN Clc1sccc1Nc1cncc(Cl)n1 ZINC000302853617 386940890 /nfs/dbraw/zinc/94/08/90/386940890.db2.gz JWVBQZUQWCZZNY-UHFFFAOYSA-N 0 0 246.122 3.589 10 0 BHAERN Cc1nc(C)c(C)c(Oc2ccc(C)c(F)c2)n1 ZINC000302857672 386941695 /nfs/dbraw/zinc/94/16/95/386941695.db2.gz MURXYHRCOCGTRI-UHFFFAOYSA-N 0 0 246.285 3.642 10 0 BHAERN Cc1ccc(Oc2ccnc(C3CC3)n2)cc1F ZINC000302861682 386941205 /nfs/dbraw/zinc/94/12/05/386941205.db2.gz QFMFIRHZSTYDNL-UHFFFAOYSA-N 0 0 244.269 3.594 10 0 BHAERN Cc1ccc(Oc2ccnc(C(C)C)n2)cc1F ZINC000302863844 178821308 /nfs/dbraw/zinc/82/13/08/178821308.db2.gz SHHZVSQSGRNVAM-UHFFFAOYSA-N 0 0 246.285 3.840 10 0 BHAERN Cc1cnc(NCCCCC(F)(F)F)s1 ZINC000302883634 386943073 /nfs/dbraw/zinc/94/30/73/386943073.db2.gz LBGJUOULAYQPJQ-UHFFFAOYSA-N 0 0 238.278 3.596 10 0 BHAERN CC(C)[C@@H](C)Nc1ccnc(C(F)(F)F)c1 ZINC000304236971 528421345 /nfs/dbraw/zinc/42/13/45/528421345.db2.gz CFNSNXMUDFRDIG-MRVPVSSYSA-N 0 0 232.249 3.557 10 0 BHAERN CC(C)[C@H](C)Nc1ccnc(C(F)(F)F)c1 ZINC000304236972 528972001 /nfs/dbraw/zinc/97/20/01/528972001.db2.gz CFNSNXMUDFRDIG-QMMMGPOBSA-N 0 0 232.249 3.557 10 0 BHAERN Cc1ccccc1CSC[C@@H](O)C(C)(C)C ZINC000304280533 383936207 /nfs/dbraw/zinc/93/62/07/383936207.db2.gz XFZJMSHPZQZNPV-CYBMUJFWSA-N 0 0 238.396 3.635 10 0 BHAERN Cc1ccccc1CSC[C@H](O)C(C)(C)C ZINC000304280534 383936315 /nfs/dbraw/zinc/93/63/15/383936315.db2.gz XFZJMSHPZQZNPV-ZDUSSCGKSA-N 0 0 238.396 3.635 10 0 BHAERN Cc1cc(C)cc(N[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000304485054 350160304 /nfs/dbraw/zinc/16/03/04/350160304.db2.gz BIRMYCUPTCFUHB-CFVMTHIKSA-N 0 0 215.340 3.904 10 0 BHAERN Cc1cc(C)cc(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000304485065 350160317 /nfs/dbraw/zinc/16/03/17/350160317.db2.gz BIRMYCUPTCFUHB-NWANDNLSSA-N 0 0 215.340 3.904 10 0 BHAERN Cc1ccc(N[C@H]2CCC[C@H]3C[C@H]32)cc1C ZINC000304562199 350163269 /nfs/dbraw/zinc/16/32/69/350163269.db2.gz LMPMQVAOFHPKGZ-CFVMTHIKSA-N 0 0 215.340 3.904 10 0 BHAERN Cc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1C ZINC000304562200 350163064 /nfs/dbraw/zinc/16/30/64/350163064.db2.gz LMPMQVAOFHPKGZ-NWANDNLSSA-N 0 0 215.340 3.904 10 0 BHAERN Cc1nc(Cl)ccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000304576183 644917956 /nfs/dbraw/zinc/91/79/56/644917956.db2.gz NHXMNEINPLHFII-HOSYDEDBSA-N 0 0 236.746 3.644 10 0 BHAERN Cc1nc(Cl)ccc1N[C@H]1CCC[C@H]2C[C@H]21 ZINC000304576202 644917684 /nfs/dbraw/zinc/91/76/84/644917684.db2.gz NHXMNEINPLHFII-UMNHJUIQSA-N 0 0 236.746 3.644 10 0 BHAERN CCCOC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000304607404 644920175 /nfs/dbraw/zinc/92/01/75/644920175.db2.gz RGGUJZDGQIUAAS-VIFPVBQESA-N 0 0 241.718 3.537 10 0 BHAERN CCCn1ccc(CNc2cccc(C)c2F)c1 ZINC000305822364 169623098 /nfs/dbraw/zinc/62/30/98/169623098.db2.gz YTICQLBDEYFMQS-UHFFFAOYSA-N 0 0 246.329 3.958 10 0 BHAERN CC[C@@H]1CCC[C@@H]1Nc1cn(C)nc1C(C)C ZINC000305894336 322934526 /nfs/dbraw/zinc/93/45/26/322934526.db2.gz YGJWGGJRIGOPLB-NEPJUHHUSA-N 0 0 235.375 3.534 10 0 BHAERN CC[C@H]1CCC[C@H]1Nc1cn(C)nc1C(C)C ZINC000305894337 384843945 /nfs/dbraw/zinc/84/39/45/384843945.db2.gz YGJWGGJRIGOPLB-NWDGAFQWSA-N 0 0 235.375 3.534 10 0 BHAERN CC[C@H]1CCC[C@@H]1Nc1cn(C)nc1C(C)C ZINC000305894338 384843231 /nfs/dbraw/zinc/84/32/31/384843231.db2.gz YGJWGGJRIGOPLB-RYUDHWBXSA-N 0 0 235.375 3.534 10 0 BHAERN CC[C@@H]1CCC[C@H]1Nc1cn(C)nc1C(C)C ZINC000305894339 384841077 /nfs/dbraw/zinc/84/10/77/384841077.db2.gz YGJWGGJRIGOPLB-VXGBXAGGSA-N 0 0 235.375 3.534 10 0 BHAERN Nc1cncc(-c2cccc(C3CCC3)c2)c1 ZINC000305917380 384550675 /nfs/dbraw/zinc/55/06/75/384550675.db2.gz BDIOAEBDRYHSDV-UHFFFAOYSA-N 0 0 224.307 3.598 10 0 BHAERN C[C@@H](O)c1cccc(OCCCC(C)(C)C)c1 ZINC000305941281 642712764 /nfs/dbraw/zinc/71/27/64/642712764.db2.gz RJNGRSQPNAQCNK-GFCCVEGCSA-N 0 0 236.355 3.945 10 0 BHAERN C[C@H](O)c1cccc(OCCCC(C)(C)C)c1 ZINC000305941283 642713937 /nfs/dbraw/zinc/71/39/37/642713937.db2.gz RJNGRSQPNAQCNK-LBPRGKRZSA-N 0 0 236.355 3.945 10 0 BHAERN Nc1cncc(-c2ccc(C3CCC3)cc2)c1 ZINC000305951132 384559605 /nfs/dbraw/zinc/55/96/05/384559605.db2.gz HMFHXDSHGKBPDJ-UHFFFAOYSA-N 0 0 224.307 3.598 10 0 BHAERN CC(C)C[C@@H](C)COc1cccc([C@H](C)O)c1 ZINC000305966411 642714853 /nfs/dbraw/zinc/71/48/53/642714853.db2.gz PEOMIKNMFKWRBE-OLZOCXBDSA-N 0 0 236.355 3.801 10 0 BHAERN CC(C)C[C@H](C)COc1cccc([C@H](C)O)c1 ZINC000305966413 642715659 /nfs/dbraw/zinc/71/56/59/642715659.db2.gz PEOMIKNMFKWRBE-STQMWFEESA-N 0 0 236.355 3.801 10 0 BHAERN C[C@H](Nc1cncc(F)c1)c1ccccc1F ZINC000306003961 200689446 /nfs/dbraw/zinc/68/94/46/200689446.db2.gz WISDTYCRLZRZNN-VIFPVBQESA-N 0 0 234.249 3.533 10 0 BHAERN Cc1csc(SCC=C2CCC2)n1 ZINC000306152156 358918457 /nfs/dbraw/zinc/91/84/57/358918457.db2.gz AGBWSWPGCSCEHD-UHFFFAOYSA-N 0 0 211.355 3.654 10 0 BHAERN CCC(=O)c1cc2c(o1)c(Cl)ccc2F ZINC000306152223 358917938 /nfs/dbraw/zinc/91/79/38/358917938.db2.gz AKRQFCONNFEKDH-UHFFFAOYSA-N 0 0 226.634 3.818 10 0 BHAERN C[C@H](C(=O)c1ccc(Cl)cc1)C(C)(F)F ZINC000306152353 358915389 /nfs/dbraw/zinc/91/53/89/358915389.db2.gz AELNQTSUOVXTJV-SSDOTTSWSA-N 0 0 232.657 3.814 10 0 BHAERN C[C@@H](C(=O)c1ccc(Cl)cc1)C(C)(F)F ZINC000306152354 358915348 /nfs/dbraw/zinc/91/53/48/358915348.db2.gz AELNQTSUOVXTJV-ZETCQYMHSA-N 0 0 232.657 3.814 10 0 BHAERN Cc1cc([C@@H](O)c2ccsc2Cl)cs1 ZINC000306154054 358940038 /nfs/dbraw/zinc/94/00/38/358940038.db2.gz BIGQPZFUOBCVLI-SECBINFHSA-N 0 0 244.768 3.853 10 0 BHAERN Cc1cc([C@H](O)c2ccsc2Cl)cs1 ZINC000306154058 352984356 /nfs/dbraw/zinc/98/43/56/352984356.db2.gz BIGQPZFUOBCVLI-VIFPVBQESA-N 0 0 244.768 3.853 10 0 BHAERN CC(C)C[C@](C)(O)c1ccsc1Cl ZINC000306154369 358940087 /nfs/dbraw/zinc/94/00/87/358940087.db2.gz BMEPJXPBJYKSDQ-JTQLQIEISA-N 0 0 218.749 3.655 10 0 BHAERN CC(C)C[C@@](C)(O)c1ccsc1Cl ZINC000306154370 358940349 /nfs/dbraw/zinc/94/03/49/358940349.db2.gz BMEPJXPBJYKSDQ-SNVBAGLBSA-N 0 0 218.749 3.655 10 0 BHAERN CSC(C)(C)C(=O)c1cc(C)ccc1Cl ZINC000306156221 398114082 /nfs/dbraw/zinc/11/40/82/398114082.db2.gz COSATOKDLFWLPS-UHFFFAOYSA-N 0 0 242.771 3.973 10 0 BHAERN CC[C@H](C)C(=O)c1c(Cl)ccc(F)c1F ZINC000306158190 352985136 /nfs/dbraw/zinc/98/51/36/352985136.db2.gz DPLSGFBJFYAGKK-LURJTMIESA-N 0 0 232.657 3.847 10 0 BHAERN CC[C@@H](C)C(=O)c1c(Cl)ccc(F)c1F ZINC000306158191 358953817 /nfs/dbraw/zinc/95/38/17/358953817.db2.gz DPLSGFBJFYAGKK-ZCFIWIBFSA-N 0 0 232.657 3.847 10 0 BHAERN Cc1ccc(Cl)c(C(=O)C2(C)CC2)c1 ZINC000306158209 358953784 /nfs/dbraw/zinc/95/37/84/358953784.db2.gz DQQLBSLJVJZVIB-UHFFFAOYSA-N 0 0 208.688 3.631 10 0 BHAERN Cc1ccc(Cl)c(-c2nccnc2Cl)c1 ZINC000306160342 358958421 /nfs/dbraw/zinc/95/84/21/358958421.db2.gz FUTFTNLMJLIOFF-UHFFFAOYSA-N 0 0 239.105 3.759 10 0 BHAERN Cc1sccc1CNc1ccsc1 ZINC000306160537 358958717 /nfs/dbraw/zinc/95/87/17/358958717.db2.gz QFZSJMULCBJJJY-UHFFFAOYSA-N 0 0 209.339 3.730 10 0 BHAERN CC(=O)C[C@H](C)c1c(Cl)ccc(F)c1F ZINC000306162443 358972539 /nfs/dbraw/zinc/97/25/39/358972539.db2.gz GSUJSMGBMYWJGV-LURJTMIESA-N 0 0 232.657 3.701 10 0 BHAERN CC(=O)C[C@@H](C)c1c(Cl)ccc(F)c1F ZINC000306162445 358972718 /nfs/dbraw/zinc/97/27/18/358972718.db2.gz GSUJSMGBMYWJGV-ZCFIWIBFSA-N 0 0 232.657 3.701 10 0 BHAERN Cc1ccc(Cl)c(C(=O)C(C)(C)F)c1 ZINC000306162469 358972924 /nfs/dbraw/zinc/97/29/24/358972924.db2.gz GUPZPVISMKYYGG-UHFFFAOYSA-N 0 0 214.667 3.579 10 0 BHAERN Cc1ccc(Cl)c(-c2cccc(F)n2)c1 ZINC000306164198 358972416 /nfs/dbraw/zinc/97/24/16/358972416.db2.gz HVTYIAULUMAEAT-UHFFFAOYSA-N 0 0 221.662 3.850 10 0 BHAERN Clc1sccc1-c1cncc(Cl)n1 ZINC000306168095 358976718 /nfs/dbraw/zinc/97/67/18/358976718.db2.gz REDYXRIDCFCTKB-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN C[C@H]1SCCC[C@]1(O)c1ccsc1Cl ZINC000306168873 358978269 /nfs/dbraw/zinc/97/82/69/358978269.db2.gz KALBJBJCLNMPNN-GMSGAONNSA-N 0 0 248.800 3.505 10 0 BHAERN C[C@@H]1SCCC[C@]1(O)c1ccsc1Cl ZINC000306168881 358978194 /nfs/dbraw/zinc/97/81/94/358978194.db2.gz KALBJBJCLNMPNN-OIBJUYFYSA-N 0 0 248.800 3.505 10 0 BHAERN C[C@H]1SCCC[C@@]1(O)c1ccsc1Cl ZINC000306168887 358978259 /nfs/dbraw/zinc/97/82/59/358978259.db2.gz KALBJBJCLNMPNN-XCBNKYQSSA-N 0 0 248.800 3.505 10 0 BHAERN C[C@@H]1SCCC[C@@]1(O)c1ccsc1Cl ZINC000306169676 358977959 /nfs/dbraw/zinc/97/79/59/358977959.db2.gz KALBJBJCLNMPNN-XVKPBYJWSA-N 0 0 248.800 3.505 10 0 BHAERN C[C@H](Nc1ncc(Cl)s1)C(C)(C)C ZINC000306169863 358978796 /nfs/dbraw/zinc/97/87/96/358978796.db2.gz WZLSOXQNIGRNPV-LURJTMIESA-N 0 0 218.753 3.643 10 0 BHAERN C[C@H]1CCc2sc(NCc3ccccc3)nc21 ZINC000306170672 358979566 /nfs/dbraw/zinc/97/95/66/358979566.db2.gz DWSGGHAQCOBOQR-JTQLQIEISA-N 0 0 244.363 3.805 10 0 BHAERN C[C@@H]1CCc2sc(NCc3ccccc3)nc21 ZINC000306170673 358979396 /nfs/dbraw/zinc/97/93/96/358979396.db2.gz DWSGGHAQCOBOQR-SNVBAGLBSA-N 0 0 244.363 3.805 10 0 BHAERN C[C@H](Nc1csc(Cl)n1)c1ccco1 ZINC000306174944 358984265 /nfs/dbraw/zinc/98/42/65/358984265.db2.gz MLXCNSNUKSOSAA-LURJTMIESA-N 0 0 228.704 3.563 10 0 BHAERN C[C@@H](Nc1csc(Cl)n1)c1ccco1 ZINC000306174946 358984273 /nfs/dbraw/zinc/98/42/73/358984273.db2.gz MLXCNSNUKSOSAA-ZCFIWIBFSA-N 0 0 228.704 3.563 10 0 BHAERN Cc1sccc1[C@@H](O)c1ccsc1Cl ZINC000306176321 371996789 /nfs/dbraw/zinc/99/67/89/371996789.db2.gz NOKHZCZVUGKRGO-SECBINFHSA-N 0 0 244.768 3.853 10 0 BHAERN Cc1sccc1[C@H](O)c1ccsc1Cl ZINC000306176322 371996820 /nfs/dbraw/zinc/99/68/20/371996820.db2.gz NOKHZCZVUGKRGO-VIFPVBQESA-N 0 0 244.768 3.853 10 0 BHAERN Cc1ccc(Cl)c([C@]2(C)CCC(=O)C2)c1 ZINC000306176424 371995241 /nfs/dbraw/zinc/99/52/41/371995241.db2.gz NVXZYTGOOAQGHG-CYBMUJFWSA-N 0 0 222.715 3.659 10 0 BHAERN Cc1ccc(Cl)c([C@@]2(C)CCC(=O)C2)c1 ZINC000306176426 371995492 /nfs/dbraw/zinc/99/54/92/371995492.db2.gz NVXZYTGOOAQGHG-ZDUSSCGKSA-N 0 0 222.715 3.659 10 0 BHAERN Nc1cccc(-c2cccs2)c1Cl ZINC000306178013 358985734 /nfs/dbraw/zinc/98/57/34/358985734.db2.gz QICNNGGWVCWFDX-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN Cc1cc(C)c(C(=O)CC(C)(F)F)s1 ZINC000306178575 371996669 /nfs/dbraw/zinc/99/66/69/371996669.db2.gz HILCMZMJKZOWIO-UHFFFAOYSA-N 0 0 218.268 3.593 10 0 BHAERN Cc1ccc(Cl)c([C@H](C)C[C@@H](C)O)c1 ZINC000306179046 358991325 /nfs/dbraw/zinc/99/13/25/358991325.db2.gz QOBFMQXMTATINN-NXEZZACHSA-N 0 0 212.720 3.523 10 0 BHAERN Cc1ccc(Cl)c([C@@H](C)C[C@H](C)O)c1 ZINC000306179047 358991535 /nfs/dbraw/zinc/99/15/35/358991535.db2.gz QOBFMQXMTATINN-UWVGGRQHSA-N 0 0 212.720 3.523 10 0 BHAERN Cc1ccc(Cl)c([C@@H](C)C[C@@H](C)O)c1 ZINC000306179048 358991586 /nfs/dbraw/zinc/99/15/86/358991586.db2.gz QOBFMQXMTATINN-VHSXEESVSA-N 0 0 212.720 3.523 10 0 BHAERN Cc1ccc(Cl)c([C@H](C)C[C@H](C)O)c1 ZINC000306179049 358991565 /nfs/dbraw/zinc/99/15/65/358991565.db2.gz QOBFMQXMTATINN-ZJUUUORDSA-N 0 0 212.720 3.523 10 0 BHAERN CC(C)CC(=O)c1c(Cl)ccc(F)c1F ZINC000306181368 358997887 /nfs/dbraw/zinc/99/78/87/358997887.db2.gz ULRMRMAWSKYABQ-UHFFFAOYSA-N 0 0 232.657 3.847 10 0 BHAERN CSC1([C@H](O)c2ccsc2Cl)CCC1 ZINC000306181753 358997548 /nfs/dbraw/zinc/99/75/48/358997548.db2.gz VJUBPTBGCBUQKF-MRVPVSSYSA-N 0 0 248.800 3.721 10 0 BHAERN CSC1([C@@H](O)c2ccsc2Cl)CCC1 ZINC000306181754 358997737 /nfs/dbraw/zinc/99/77/37/358997737.db2.gz VJUBPTBGCBUQKF-QMMMGPOBSA-N 0 0 248.800 3.721 10 0 BHAERN O=C(c1csc(Cl)c1)c1cccc(F)c1 ZINC000306182405 359000135 /nfs/dbraw/zinc/00/01/35/359000135.db2.gz XIOOXGYDDZWYRF-UHFFFAOYSA-N 0 0 240.686 3.772 10 0 BHAERN Cc1cccc(Br)c1C(=O)C(C)C ZINC000306186963 359002930 /nfs/dbraw/zinc/00/29/30/359002930.db2.gz CWOHTLMICRKZIT-UHFFFAOYSA-N 0 0 241.128 3.596 10 0 BHAERN Cc1sc(Cl)c(N)c1C1CCC1 ZINC000306188950 359005758 /nfs/dbraw/zinc/00/57/58/359005758.db2.gz VCNXOSJGRPWUNO-UHFFFAOYSA-N 0 0 201.722 3.560 10 0 BHAERN Cc1cc(C(=O)CC(C)(F)F)c(C)s1 ZINC000306192250 359016122 /nfs/dbraw/zinc/01/61/22/359016122.db2.gz JDVGHVSWQIQHGN-UHFFFAOYSA-N 0 0 218.268 3.593 10 0 BHAERN CC(C)CSc1cc(Cl)nc(Cl)n1 ZINC000306194094 359022616 /nfs/dbraw/zinc/02/26/16/359022616.db2.gz LQVSCQCNENQBNE-UHFFFAOYSA-N 0 0 237.155 3.532 10 0 BHAERN Cc1c(Cl)ccc(C(=O)C2CCC2)c1F ZINC000306196375 359025414 /nfs/dbraw/zinc/02/54/14/359025414.db2.gz PYLKEBVEVHKLBB-UHFFFAOYSA-N 0 0 226.678 3.770 10 0 BHAERN Cc1ccc(C(=O)[C@@H](C)C(C)(F)F)s1 ZINC000306200092 359027165 /nfs/dbraw/zinc/02/71/65/359027165.db2.gz JJNMCFSFHPTHEF-SSDOTTSWSA-N 0 0 218.268 3.531 10 0 BHAERN Cc1ccc(C(=O)[C@H](C)C(C)(F)F)s1 ZINC000306200093 359027338 /nfs/dbraw/zinc/02/73/38/359027338.db2.gz JJNMCFSFHPTHEF-ZETCQYMHSA-N 0 0 218.268 3.531 10 0 BHAERN CSc1ccc(-c2cscn2)cc1 ZINC000306203548 411438277 /nfs/dbraw/zinc/43/82/77/411438277.db2.gz VIFJZGDAQJJLFE-UHFFFAOYSA-N 0 0 207.323 3.532 10 0 BHAERN Nc1cc(F)cc(-c2ccsc2Cl)c1 ZINC000306203624 359293131 /nfs/dbraw/zinc/29/31/31/359293131.db2.gz MONKZGQPOHULMT-UHFFFAOYSA-N 0 0 227.691 3.790 10 0 BHAERN N[C@@H](c1ccc(Cl)o1)c1ccsc1Cl ZINC000306206700 387182721 /nfs/dbraw/zinc/18/27/21/387182721.db2.gz QIPPDNGHFZDRQY-MRVPVSSYSA-N 0 0 248.134 3.696 10 0 BHAERN N[C@H](c1ccc(Cl)o1)c1ccsc1Cl ZINC000306206701 387182306 /nfs/dbraw/zinc/18/23/06/387182306.db2.gz QIPPDNGHFZDRQY-QMMMGPOBSA-N 0 0 248.134 3.696 10 0 BHAERN C[C@@H]1CC(C)(C)c2c1c(N)ccc2Cl ZINC000306207335 398253592 /nfs/dbraw/zinc/25/35/92/398253592.db2.gz XEHFTDQURIKXJH-SSDOTTSWSA-N 0 0 209.720 3.707 10 0 BHAERN C[C@H]1CC(C)(C)c2c1c(N)ccc2Cl ZINC000306207336 398253481 /nfs/dbraw/zinc/25/34/81/398253481.db2.gz XEHFTDQURIKXJH-ZETCQYMHSA-N 0 0 209.720 3.707 10 0 BHAERN C[C@H](NC(F)(F)F)c1ccc(Cl)cc1 ZINC000306208310 359301876 /nfs/dbraw/zinc/30/18/76/359301876.db2.gz HIFOQKAWTHHSMS-LURJTMIESA-N 0 0 223.625 3.510 10 0 BHAERN C[C@@H](NC(F)(F)F)c1ccc(Cl)cc1 ZINC000306208318 359301589 /nfs/dbraw/zinc/30/15/89/359301589.db2.gz HIFOQKAWTHHSMS-ZCFIWIBFSA-N 0 0 223.625 3.510 10 0 BHAERN CC(F)(F)CC(=O)c1ccc(Cl)s1 ZINC000306209546 359301786 /nfs/dbraw/zinc/30/17/86/359301786.db2.gz SYQYQBBDCHGCTI-UHFFFAOYSA-N 0 0 224.659 3.630 10 0 BHAERN Cc1ccc(C(=O)CC(C)(F)F)c(C)c1 ZINC000306211262 359305357 /nfs/dbraw/zinc/30/53/57/359305357.db2.gz UQOCZRJOKKEYNF-UHFFFAOYSA-N 0 0 212.239 3.531 10 0 BHAERN Cc1ccc(Cl)c(C(=O)C2CCC2)c1 ZINC000306211419 359305300 /nfs/dbraw/zinc/30/53/00/359305300.db2.gz JUARLOCIHBNNGR-UHFFFAOYSA-N 0 0 208.688 3.631 10 0 BHAERN S=c1cc(-c2ccsc2Cl)cn[nH]1 ZINC000306214997 387265661 /nfs/dbraw/zinc/26/56/61/387265661.db2.gz IFKSYHIKSBZWSY-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN CC(C)[C@@H](C)Sc1c(N)cccc1F ZINC000306215475 359324043 /nfs/dbraw/zinc/32/40/43/359324043.db2.gz HXALZNJPCQFLQY-MRVPVSSYSA-N 0 0 213.321 3.545 10 0 BHAERN CC(C)[C@H](C)Sc1c(N)cccc1F ZINC000306215476 359323401 /nfs/dbraw/zinc/32/34/01/359323401.db2.gz HXALZNJPCQFLQY-QMMMGPOBSA-N 0 0 213.321 3.545 10 0 BHAERN Cc1cc(N)ccc1-c1ccsc1Cl ZINC000306215748 387266304 /nfs/dbraw/zinc/26/63/04/387266304.db2.gz BCEVONMWHIFCHF-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN Fc1cccc(-c2ccsc2Cl)n1 ZINC000306216635 359330381 /nfs/dbraw/zinc/33/03/81/359330381.db2.gz CGRZYEWNZPLTPX-UHFFFAOYSA-N 0 0 213.664 3.603 10 0 BHAERN S=c1cnc(-c2ccsc2Cl)c[nH]1 ZINC000306216833 359330537 /nfs/dbraw/zinc/33/05/37/359330537.db2.gz CKXRRCWENVEUMX-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN Clc1sccc1-c1nccnc1Cl ZINC000306217155 359330312 /nfs/dbraw/zinc/33/03/12/359330312.db2.gz CSADVDITOBIKEF-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN O=C(c1cccs1)c1ccsc1Cl ZINC000306218260 359335829 /nfs/dbraw/zinc/33/58/29/359335829.db2.gz FFPGCRKHFBRVAG-UHFFFAOYSA-N 0 0 228.725 3.694 10 0 BHAERN CCC1([C@H](O)c2sc(C)cc2C)CC1 ZINC000306219201 359337556 /nfs/dbraw/zinc/33/75/56/359337556.db2.gz GHNOOXOPWBXQOA-LLVKDONJSA-N 0 0 210.342 3.589 10 0 BHAERN CCC1([C@@H](O)c2sc(C)cc2C)CC1 ZINC000306219202 359337314 /nfs/dbraw/zinc/33/73/14/359337314.db2.gz GHNOOXOPWBXQOA-NSHDSACASA-N 0 0 210.342 3.589 10 0 BHAERN S=c1cc(-c2ccsc2Cl)nc[nH]1 ZINC000306219580 359334851 /nfs/dbraw/zinc/33/48/51/359334851.db2.gz GLYAGTFDCFTVJI-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN CCNc1cc(C(F)F)ccc1Cl ZINC000306220447 359341346 /nfs/dbraw/zinc/34/13/46/359341346.db2.gz OJGOYFCESZHCTM-UHFFFAOYSA-N 0 0 205.635 3.709 10 0 BHAERN C[C@@H]1CCS[C@H](c2ccsc2Cl)N1 ZINC000306222079 359344400 /nfs/dbraw/zinc/34/44/00/359344400.db2.gz VOUYAFGGVJBQKN-HZGVNTEJSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@H]1CCS[C@H](c2ccsc2Cl)N1 ZINC000306222080 359344544 /nfs/dbraw/zinc/34/45/44/359344544.db2.gz VOUYAFGGVJBQKN-IMTBSYHQSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@@H]1CCS[C@@H](c2ccsc2Cl)N1 ZINC000306222082 359344070 /nfs/dbraw/zinc/34/40/70/359344070.db2.gz VOUYAFGGVJBQKN-MUWHJKNJSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@H]1CCS[C@@H](c2ccsc2Cl)N1 ZINC000306222084 359344191 /nfs/dbraw/zinc/34/41/91/359344191.db2.gz VOUYAFGGVJBQKN-RCOVLWMOSA-N 0 0 233.789 3.515 10 0 BHAERN Cc1nc(-c2ccc(F)cc2Cl)cs1 ZINC000306230358 359364990 /nfs/dbraw/zinc/36/49/90/359364990.db2.gz ZJFKDNBNZVEFTN-UHFFFAOYSA-N 0 0 227.691 3.911 10 0 BHAERN Cc1ccc(N)cc1-c1ccsc1Cl ZINC000306234156 359391903 /nfs/dbraw/zinc/39/19/03/359391903.db2.gz NEUVNUIKWNVZAI-UHFFFAOYSA-N 0 0 223.728 3.959 10 0 BHAERN CCCNc1cc(C)c(F)cc1Cl ZINC000306236798 359398255 /nfs/dbraw/zinc/39/82/55/359398255.db2.gz PHHKXZWVCDNXNX-UHFFFAOYSA-N 0 0 201.672 3.609 10 0 BHAERN Cc1cc(COc2ccccc2)cs1 ZINC000306237760 359399201 /nfs/dbraw/zinc/39/92/01/359399201.db2.gz INWOBWXRSALHGJ-UHFFFAOYSA-N 0 0 204.294 3.636 10 0 BHAERN CC1(CSc2cccc(N)c2)CCC1 ZINC000306238406 359400036 /nfs/dbraw/zinc/40/00/36/359400036.db2.gz IZKPHDFSNCAJNI-UHFFFAOYSA-N 0 0 207.342 3.551 10 0 BHAERN Cc1nc(C2(C)CCCC2)nc(Cl)c1C ZINC000306239269 359407639 /nfs/dbraw/zinc/40/76/39/359407639.db2.gz JRVKMOMIRFAINB-UHFFFAOYSA-N 0 0 224.735 3.579 10 0 BHAERN Cc1cscc1NCc1ccoc1C ZINC000306239297 229391591 /nfs/dbraw/zinc/39/15/91/229391591.db2.gz NNCGKLZZYSCXDZ-UHFFFAOYSA-N 0 0 207.298 3.570 10 0 BHAERN CC(C)CC(=O)c1ccsc1Cl ZINC000306239854 352998920 /nfs/dbraw/zinc/99/89/20/352998920.db2.gz QMRASMGTEPXNJR-UHFFFAOYSA-N 0 0 202.706 3.630 10 0 BHAERN O=Cc1ccc(-c2ccsc2Cl)cc1 ZINC000306240813 359419713 /nfs/dbraw/zinc/41/97/13/359419713.db2.gz RCXMSSQDHVFTAB-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN Cc1cc(COC2CCCC2)cc(Cl)n1 ZINC000306241786 359424546 /nfs/dbraw/zinc/42/45/46/359424546.db2.gz MWTIIJPZFKQCKC-UHFFFAOYSA-N 0 0 225.719 3.503 10 0 BHAERN CCSc1nc2cccc(Cl)c2o1 ZINC000306246113 359433149 /nfs/dbraw/zinc/43/31/49/359433149.db2.gz VJRVFBAPYLBJNY-UHFFFAOYSA-N 0 0 213.689 3.593 10 0 BHAERN S=c1nc(-c2ccsc2Cl)cc[nH]1 ZINC000306248705 359445321 /nfs/dbraw/zinc/44/53/21/359445321.db2.gz XTCRUFWTWNKERN-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN Clc1sccc1NCC=C1CCC1 ZINC000306248823 359445350 /nfs/dbraw/zinc/44/53/50/359445350.db2.gz QIOFDPDWBSTARX-UHFFFAOYSA-N 0 0 213.733 3.924 10 0 BHAERN CC[C@@H]1CS[C@H](c2ccsc2Cl)N1 ZINC000306249157 359446440 /nfs/dbraw/zinc/44/64/40/359446440.db2.gz ZKXOSTHFZZBUKZ-HZGVNTEJSA-N 0 0 233.789 3.515 10 0 BHAERN CC[C@H]1CS[C@H](c2ccsc2Cl)N1 ZINC000306249158 359447090 /nfs/dbraw/zinc/44/70/90/359447090.db2.gz ZKXOSTHFZZBUKZ-IMTBSYHQSA-N 0 0 233.789 3.515 10 0 BHAERN CC[C@@H]1CS[C@@H](c2ccsc2Cl)N1 ZINC000306249159 359446853 /nfs/dbraw/zinc/44/68/53/359446853.db2.gz ZKXOSTHFZZBUKZ-MUWHJKNJSA-N 0 0 233.789 3.515 10 0 BHAERN CC[C@H]1CS[C@@H](c2ccsc2Cl)N1 ZINC000306249160 359446869 /nfs/dbraw/zinc/44/68/69/359446869.db2.gz ZKXOSTHFZZBUKZ-RCOVLWMOSA-N 0 0 233.789 3.515 10 0 BHAERN O=C(c1ccsc1Cl)c1ccc(F)cc1 ZINC000306249459 359448104 /nfs/dbraw/zinc/44/81/04/359448104.db2.gz XYRACUQTXQLMSB-UHFFFAOYSA-N 0 0 240.686 3.772 10 0 BHAERN C[C@@]1(O)CCC[C@]1(C)c1ccc(Cl)s1 ZINC000306249695 359449692 /nfs/dbraw/zinc/44/96/92/359449692.db2.gz YBPNPVSWAJHINR-GHMZBOCLSA-N 0 0 230.760 3.594 10 0 BHAERN C[C@]1(O)CCC[C@]1(C)c1ccc(Cl)s1 ZINC000306249705 359449698 /nfs/dbraw/zinc/44/96/98/359449698.db2.gz YBPNPVSWAJHINR-MNOVXSKESA-N 0 0 230.760 3.594 10 0 BHAERN C[C@@]1(c2ccc(Cl)s2)CCC[C@]1(C)O ZINC000306249715 359450087 /nfs/dbraw/zinc/45/00/87/359450087.db2.gz YBPNPVSWAJHINR-QWRGUYRKSA-N 0 0 230.760 3.594 10 0 BHAERN C[C@@]1(O)CCC[C@@]1(C)c1ccc(Cl)s1 ZINC000306249726 359449798 /nfs/dbraw/zinc/44/97/98/359449798.db2.gz YBPNPVSWAJHINR-WDEREUQCSA-N 0 0 230.760 3.594 10 0 BHAERN C[C@H]1CC[C@@]1(O)c1ccc(Cl)c(Cl)c1 ZINC000306254828 359459344 /nfs/dbraw/zinc/45/93/44/359459344.db2.gz WKVICAWXBCTTOC-CPCISQLKSA-N 0 0 231.122 3.611 10 0 BHAERN C[C@@H]1CC[C@@]1(O)c1ccc(Cl)c(Cl)c1 ZINC000306254829 359459188 /nfs/dbraw/zinc/45/91/88/359459188.db2.gz WKVICAWXBCTTOC-HQJQHLMTSA-N 0 0 231.122 3.611 10 0 BHAERN C[C@@H]1CC[C@]1(O)c1ccc(Cl)c(Cl)c1 ZINC000306254830 359459420 /nfs/dbraw/zinc/45/94/20/359459420.db2.gz WKVICAWXBCTTOC-RDDDGLTNSA-N 0 0 231.122 3.611 10 0 BHAERN C[C@H]1CC[C@]1(O)c1ccc(Cl)c(Cl)c1 ZINC000306254832 359459428 /nfs/dbraw/zinc/45/94/28/359459428.db2.gz WKVICAWXBCTTOC-WRWORJQWSA-N 0 0 231.122 3.611 10 0 BHAERN CC(=O)c1cc(Cl)c(C)cc1Br ZINC000306255444 359475068 /nfs/dbraw/zinc/47/50/68/359475068.db2.gz SYMBHQVYOGGDER-UHFFFAOYSA-N 0 0 247.519 3.614 10 0 BHAERN Cc1sc(Br)c(N)c1[C@@H]1C[C@H]1C ZINC000306262776 359483202 /nfs/dbraw/zinc/48/32/02/359483202.db2.gz ZLRZKSSDHSDJQX-INEUFUBQSA-N 0 0 246.173 3.525 10 0 BHAERN Cc1sc(Br)c(N)c1[C@H]1C[C@@H]1C ZINC000306262777 359482736 /nfs/dbraw/zinc/48/27/36/359482736.db2.gz ZLRZKSSDHSDJQX-NJGYIYPDSA-N 0 0 246.173 3.525 10 0 BHAERN Cc1sc(Br)c(N)c1[C@@H]1C[C@@H]1C ZINC000306262778 359482909 /nfs/dbraw/zinc/48/29/09/359482909.db2.gz ZLRZKSSDHSDJQX-UJURSFKZSA-N 0 0 246.173 3.525 10 0 BHAERN Cc1sc(Br)c(N)c1[C@H]1C[C@H]1C ZINC000306262779 359483144 /nfs/dbraw/zinc/48/31/44/359483144.db2.gz ZLRZKSSDHSDJQX-XINAWCOVSA-N 0 0 246.173 3.525 10 0 BHAERN S=c1cncc(-c2ccsc2Cl)[nH]1 ZINC000306270910 359502950 /nfs/dbraw/zinc/50/29/50/359502950.db2.gz QTHHPCCVNKSFRR-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN Cc1c(Cl)ccc2c1SCCCN2 ZINC000306283854 359517124 /nfs/dbraw/zinc/51/71/24/359517124.db2.gz QFPJTXYFTPBFBQ-UHFFFAOYSA-N 0 0 213.733 3.556 10 0 BHAERN CCC(C)(C)c1csc(Br)n1 ZINC000306286893 359519381 /nfs/dbraw/zinc/51/93/81/359519381.db2.gz GNZGVGYLXKNKJQ-UHFFFAOYSA-N 0 0 234.162 3.593 10 0 BHAERN CC(C)(C)C(C)(C)c1nnc(Cl)s1 ZINC000306287958 359519656 /nfs/dbraw/zinc/51/96/56/359519656.db2.gz LVJAYCLHLIRUAE-UHFFFAOYSA-N 0 0 218.753 3.515 10 0 BHAERN Cc1cccc(C(=O)C(F)(F)Cl)c1Cl ZINC000306291970 372008013 /nfs/dbraw/zinc/00/80/13/372008013.db2.gz RRBXCUOBCCOFEN-UHFFFAOYSA-N 0 0 239.048 3.663 10 0 BHAERN CCc1sc(Cl)c(N)c1C1CCC1 ZINC000306297145 372007715 /nfs/dbraw/zinc/00/77/15/372007715.db2.gz CCVILMSOTLVXSE-UHFFFAOYSA-N 0 0 215.749 3.814 10 0 BHAERN C[C@H]1CC[C@@H]1Nc1ccsc1Cl ZINC000306297713 359538113 /nfs/dbraw/zinc/53/81/13/359538113.db2.gz XLUIPAVLWCFKAI-BQBZGAKWSA-N 0 0 201.722 3.612 10 0 BHAERN C[C@H]1CC[C@H]1Nc1ccsc1Cl ZINC000306297714 359537986 /nfs/dbraw/zinc/53/79/86/359537986.db2.gz XLUIPAVLWCFKAI-NKWVEPMBSA-N 0 0 201.722 3.612 10 0 BHAERN C[C@@H]1CC[C@H]1Nc1ccsc1Cl ZINC000306297715 359537927 /nfs/dbraw/zinc/53/79/27/359537927.db2.gz XLUIPAVLWCFKAI-RNFRBKRXSA-N 0 0 201.722 3.612 10 0 BHAERN C[C@@H]1CC[C@@H]1Nc1ccsc1Cl ZINC000306297716 359538344 /nfs/dbraw/zinc/53/83/44/359538344.db2.gz XLUIPAVLWCFKAI-RQJHMYQMSA-N 0 0 201.722 3.612 10 0 BHAERN S=c1[nH]cncc1-c1ccsc1Cl ZINC000306301265 359580200 /nfs/dbraw/zinc/58/02/00/359580200.db2.gz ILFXNJBAWOQWHZ-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN CC(C)(C)C(=O)c1ccsc1Cl ZINC000306303095 359579120 /nfs/dbraw/zinc/57/91/20/359579120.db2.gz OCJGXOKVKZISCV-UHFFFAOYSA-N 0 0 202.706 3.630 10 0 BHAERN CC(=O)CSc1cc(Cl)cc(Cl)c1 ZINC000306304458 359583726 /nfs/dbraw/zinc/58/37/26/359583726.db2.gz GUAFVMPDQAGULU-UHFFFAOYSA-N 0 0 235.135 3.675 10 0 BHAERN COc1cccc(Cl)c1C(=O)C(C)(C)C ZINC000306304662 387727816 /nfs/dbraw/zinc/72/78/16/387727816.db2.gz IHZJQEGNDDIAMZ-UHFFFAOYSA-N 0 0 226.703 3.577 10 0 BHAERN FC(F)c1ccc(NCc2ccccc2)nc1 ZINC000306312616 359593318 /nfs/dbraw/zinc/59/33/18/359593318.db2.gz SWYRQGBHCYFBRV-UHFFFAOYSA-N 0 0 234.249 3.631 10 0 BHAERN CC[C@](O)(c1ccsc1Cl)C1CCC1 ZINC000306316301 388021630 /nfs/dbraw/zinc/02/16/30/388021630.db2.gz QWCVGGRNODAFCE-LLVKDONJSA-N 0 0 230.760 3.799 10 0 BHAERN CC[C@@](O)(c1ccsc1Cl)C1CCC1 ZINC000306316304 388022042 /nfs/dbraw/zinc/02/20/42/388022042.db2.gz QWCVGGRNODAFCE-NSHDSACASA-N 0 0 230.760 3.799 10 0 BHAERN Cc1ccccc1OCc1csc(Cl)n1 ZINC000306316350 388027739 /nfs/dbraw/zinc/02/77/39/388027739.db2.gz REQVOAZVKNYCIG-UHFFFAOYSA-N 0 0 239.727 3.684 10 0 BHAERN Clc1nc(Nc2ccccc2)cs1 ZINC000306319075 359601638 /nfs/dbraw/zinc/60/16/38/359601638.db2.gz IPLFYPRJWLYOTJ-UHFFFAOYSA-N 0 0 210.689 3.540 10 0 BHAERN CC1CCC(CC(=O)C(C)(C)F)CC1 ZINC000306319875 353003690 /nfs/dbraw/zinc/00/36/90/353003690.db2.gz VXZMIOGQGHUKEB-UHFFFAOYSA-N 0 0 200.297 3.520 10 0 BHAERN CCNc1ccc(Cl)c(C(F)F)c1 ZINC000306325920 359610225 /nfs/dbraw/zinc/61/02/25/359610225.db2.gz PAELDGXFJRNOCF-UHFFFAOYSA-N 0 0 205.635 3.709 10 0 BHAERN CC[C@@H](C)[C@@](C)(O)c1ccsc1Cl ZINC000306328177 359610838 /nfs/dbraw/zinc/61/08/38/359610838.db2.gz YCRKSSIAVCTPIL-GMSGAONNSA-N 0 0 218.749 3.655 10 0 BHAERN CC[C@H](C)[C@@](C)(O)c1ccsc1Cl ZINC000306328179 359611197 /nfs/dbraw/zinc/61/11/97/359611197.db2.gz YCRKSSIAVCTPIL-OIBJUYFYSA-N 0 0 218.749 3.655 10 0 BHAERN CC[C@@H](C)[C@](C)(O)c1ccsc1Cl ZINC000306328180 359610957 /nfs/dbraw/zinc/61/09/57/359610957.db2.gz YCRKSSIAVCTPIL-XCBNKYQSSA-N 0 0 218.749 3.655 10 0 BHAERN CC[C@H](C)[C@](C)(O)c1ccsc1Cl ZINC000306328181 359611018 /nfs/dbraw/zinc/61/10/18/359611018.db2.gz YCRKSSIAVCTPIL-XVKPBYJWSA-N 0 0 218.749 3.655 10 0 BHAERN CC(C)(C)[C@@](C)(O)c1ccsc1Cl ZINC000306329388 359611142 /nfs/dbraw/zinc/61/11/42/359611142.db2.gz ZHZOCRPDNOQJCW-JTQLQIEISA-N 0 0 218.749 3.655 10 0 BHAERN CC(C)(C)[C@](C)(O)c1ccsc1Cl ZINC000306329389 359611254 /nfs/dbraw/zinc/61/12/54/359611254.db2.gz ZHZOCRPDNOQJCW-SNVBAGLBSA-N 0 0 218.749 3.655 10 0 BHAERN CC(C)(C)C(C)(C)C(=O)[C@H]1CCCS1 ZINC000306336478 359635844 /nfs/dbraw/zinc/63/58/44/359635844.db2.gz HGCSTVWXKPEBRM-SECBINFHSA-N 0 0 214.374 3.523 10 0 BHAERN CC(C)(C)C(C)(C)C(=O)[C@@H]1CCCS1 ZINC000306336479 359636114 /nfs/dbraw/zinc/63/61/14/359636114.db2.gz HGCSTVWXKPEBRM-VIFPVBQESA-N 0 0 214.374 3.523 10 0 BHAERN CC[C@@H](C)C(=O)c1c(C)cccc1Cl ZINC000306339166 372010738 /nfs/dbraw/zinc/01/07/38/372010738.db2.gz VONNNNIWHZZMIT-MRVPVSSYSA-N 0 0 210.704 3.877 10 0 BHAERN CC[C@H](C)C(=O)c1c(C)cccc1Cl ZINC000306339171 372010861 /nfs/dbraw/zinc/01/08/61/372010861.db2.gz VONNNNIWHZZMIT-QMMMGPOBSA-N 0 0 210.704 3.877 10 0 BHAERN Cc1sc(Br)c(N)c1C1CCC1 ZINC000306339794 359644164 /nfs/dbraw/zinc/64/41/64/359644164.db2.gz ZVEAMXWDNCXBIT-UHFFFAOYSA-N 0 0 246.173 3.669 10 0 BHAERN CSc1c(Cl)cccc1NC(C)C ZINC000306339820 359644182 /nfs/dbraw/zinc/64/41/82/359644182.db2.gz ZZCJIADFFAUVFI-UHFFFAOYSA-N 0 0 215.749 3.882 10 0 BHAERN CC(C)Cc1nc(C(C)(C)F)cs1 ZINC000306343905 359661657 /nfs/dbraw/zinc/66/16/57/359661657.db2.gz DALKQDCMXIOGLV-UHFFFAOYSA-N 0 0 201.310 3.546 10 0 BHAERN O=C(c1ccsc1)c1csc(Cl)c1 ZINC000306344096 359661948 /nfs/dbraw/zinc/66/19/48/359661948.db2.gz NALAWYDKWRLBAA-UHFFFAOYSA-N 0 0 228.725 3.694 10 0 BHAERN Clc1sccc1-c1nccc(Cl)n1 ZINC000306352560 372012823 /nfs/dbraw/zinc/01/28/23/372012823.db2.gz FDYIFKFGLDPRGX-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN S=c1[nH]ccnc1-c1ccsc1Cl ZINC000306352830 387721126 /nfs/dbraw/zinc/72/11/26/387721126.db2.gz ONZZNUSERSNEAS-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN Cc1c(N)c(Cl)sc1CC(C)(C)C ZINC000306362431 353007604 /nfs/dbraw/zinc/00/76/04/353007604.db2.gz SRYACLUARAPNDF-UHFFFAOYSA-N 0 0 217.765 3.881 10 0 BHAERN CCS[C@@H]1CCSc2ccccc21 ZINC000306366003 387914694 /nfs/dbraw/zinc/91/46/94/387914694.db2.gz BCJFVZIPPRLMQO-LLVKDONJSA-N 0 0 210.367 3.977 10 0 BHAERN CCS[C@H]1CCSc2ccccc21 ZINC000306366005 387916097 /nfs/dbraw/zinc/91/60/97/387916097.db2.gz BCJFVZIPPRLMQO-NSHDSACASA-N 0 0 210.367 3.977 10 0 BHAERN O=C(c1ccsc1Cl)C1CCCC1 ZINC000306368258 359699013 /nfs/dbraw/zinc/69/90/13/359699013.db2.gz DRHCSKBFGBIWBC-UHFFFAOYSA-N 0 0 214.717 3.774 10 0 BHAERN Nc1cc(C(F)F)ccc1NCc1ccccc1 ZINC000306375536 359710059 /nfs/dbraw/zinc/71/00/59/359710059.db2.gz LWTIKCAWQUNRMW-UHFFFAOYSA-N 0 0 248.276 3.819 10 0 BHAERN Cc1cc(C(=O)C(C)(F)F)sc1Cl ZINC000306378574 359718071 /nfs/dbraw/zinc/71/80/71/359718071.db2.gz OOLRRKILKCHTGO-UHFFFAOYSA-N 0 0 224.659 3.548 10 0 BHAERN CC(=O)[C@@H]1C[C@H]1c1cc(Cl)sc1Cl ZINC000306383796 359735424 /nfs/dbraw/zinc/73/54/24/359735424.db2.gz VMNPCHDDMACNEA-NTSWFWBYSA-N 0 0 235.135 3.747 10 0 BHAERN CC(=O)[C@H]1C[C@H]1c1cc(Cl)sc1Cl ZINC000306383798 359735570 /nfs/dbraw/zinc/73/55/70/359735570.db2.gz VMNPCHDDMACNEA-PHDIDXHHSA-N 0 0 235.135 3.747 10 0 BHAERN CC(=O)[C@H]1C[C@@H]1c1cc(Cl)sc1Cl ZINC000306383799 359735397 /nfs/dbraw/zinc/73/53/97/359735397.db2.gz VMNPCHDDMACNEA-RITPCOANSA-N 0 0 235.135 3.747 10 0 BHAERN CC(=O)[C@@H]1C[C@@H]1c1cc(Cl)sc1Cl ZINC000306383801 359735384 /nfs/dbraw/zinc/73/53/84/359735384.db2.gz VMNPCHDDMACNEA-WDSKDSINSA-N 0 0 235.135 3.747 10 0 BHAERN Cc1c(Br)ccc2c1NCC[C@H]2C ZINC000306398069 359762765 /nfs/dbraw/zinc/76/27/65/359762765.db2.gz IWBOUOPKTSFCPM-SSDOTTSWSA-N 0 0 240.144 3.677 10 0 BHAERN Cc1c(Br)ccc2c1NCC[C@@H]2C ZINC000306398071 359762912 /nfs/dbraw/zinc/76/29/12/359762912.db2.gz IWBOUOPKTSFCPM-ZETCQYMHSA-N 0 0 240.144 3.677 10 0 BHAERN C[C@H]1CC[C@H]1Nc1ccc(Br)cc1 ZINC000306398769 359766007 /nfs/dbraw/zinc/76/60/07/359766007.db2.gz MIBHMAAZGCAPTJ-GZMMTYOYSA-N 0 0 240.144 3.660 10 0 BHAERN C[C@@H]1CC[C@@H]1Nc1ccc(Br)cc1 ZINC000306398770 359766227 /nfs/dbraw/zinc/76/62/27/359766227.db2.gz MIBHMAAZGCAPTJ-KCJUWKMLSA-N 0 0 240.144 3.660 10 0 BHAERN C[C@H]1CC[C@@H]1Nc1ccc(Br)cc1 ZINC000306398771 359765799 /nfs/dbraw/zinc/76/57/99/359765799.db2.gz MIBHMAAZGCAPTJ-KWQFWETISA-N 0 0 240.144 3.660 10 0 BHAERN C[C@@H]1CC[C@H]1Nc1ccc(Br)cc1 ZINC000306398772 359766346 /nfs/dbraw/zinc/76/63/46/359766346.db2.gz MIBHMAAZGCAPTJ-LDYMZIIASA-N 0 0 240.144 3.660 10 0 BHAERN Clc1nc(Oc2ccccc2)cs1 ZINC000306400714 353009391 /nfs/dbraw/zinc/00/93/91/353009391.db2.gz BCQAQSVVBPFMGL-UHFFFAOYSA-N 0 0 211.673 3.589 10 0 BHAERN Clc1sccc1-c1ccc(Cl)nn1 ZINC000306403081 359785347 /nfs/dbraw/zinc/78/53/47/359785347.db2.gz FSBCYHAGAYYGEK-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN C[C@@H]1CCN[C@@H](c2ccsc2Cl)S1 ZINC000306409269 359798516 /nfs/dbraw/zinc/79/85/16/359798516.db2.gz JSOKKGBUZKTGOP-HZGVNTEJSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@H]1CCN[C@@H](c2ccsc2Cl)S1 ZINC000306409270 359798467 /nfs/dbraw/zinc/79/84/67/359798467.db2.gz JSOKKGBUZKTGOP-IMTBSYHQSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@@H]1CCN[C@H](c2ccsc2Cl)S1 ZINC000306409271 359798653 /nfs/dbraw/zinc/79/86/53/359798653.db2.gz JSOKKGBUZKTGOP-MUWHJKNJSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@H]1CCN[C@H](c2ccsc2Cl)S1 ZINC000306409272 359798664 /nfs/dbraw/zinc/79/86/64/359798664.db2.gz JSOKKGBUZKTGOP-RCOVLWMOSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@@H](Nc1ncc(Cl)s1)C1CCCC1 ZINC000306415317 490636872 /nfs/dbraw/zinc/63/68/72/490636872.db2.gz PJXJPHXBIZLMOW-SSDOTTSWSA-N 0 0 230.764 3.787 10 0 BHAERN C[C@H](Nc1ncc(Cl)s1)C1CCCC1 ZINC000306415319 490636405 /nfs/dbraw/zinc/63/64/05/490636405.db2.gz PJXJPHXBIZLMOW-ZETCQYMHSA-N 0 0 230.764 3.787 10 0 BHAERN Cc1cc(Br)c2c(c1)[C@H](C)CCN2 ZINC000306433997 359930792 /nfs/dbraw/zinc/93/07/92/359930792.db2.gz YPSRIDCWEHHUHL-MRVPVSSYSA-N 0 0 240.144 3.677 10 0 BHAERN Cc1cc(Br)c2c(c1)[C@@H](C)CCN2 ZINC000306433998 359930988 /nfs/dbraw/zinc/93/09/88/359930988.db2.gz YPSRIDCWEHHUHL-QMMMGPOBSA-N 0 0 240.144 3.677 10 0 BHAERN Cc1cccc(C)c1/C=C/C(F)(F)F ZINC000306444784 344190666 /nfs/dbraw/zinc/19/06/66/344190666.db2.gz PLWWITIRRPXGAC-VOTSOKGWSA-N 0 0 200.203 3.879 10 0 BHAERN CCOCc1cc(Cl)ccc1Br ZINC000306447002 360021005 /nfs/dbraw/zinc/02/10/05/360021005.db2.gz CIWWFMGRNVUFFC-UHFFFAOYSA-N 0 0 249.535 3.639 10 0 BHAERN CCC1(C(=O)c2ccc(F)c(C)c2)CC1 ZINC000306449266 360016363 /nfs/dbraw/zinc/01/63/63/360016363.db2.gz AIEAHXPZVJYAKT-UHFFFAOYSA-N 0 0 206.260 3.507 10 0 BHAERN CCc1cc(C)sc1C(=O)C(C)(C)C ZINC000306449515 360016896 /nfs/dbraw/zinc/01/68/96/360016896.db2.gz AMSHUZFOVDEXRK-UHFFFAOYSA-N 0 0 210.342 3.848 10 0 BHAERN CC1(C)CC(CNc2csc(Cl)n2)C1 ZINC000306450546 360021071 /nfs/dbraw/zinc/02/10/71/360021071.db2.gz CPLMWGSLNQDJLG-UHFFFAOYSA-N 0 0 230.764 3.645 10 0 BHAERN Cc1cc(Br)cc2c1NCC[C@H]2C ZINC000306451419 360036767 /nfs/dbraw/zinc/03/67/67/360036767.db2.gz WIYDXWWDAUBHAO-SSDOTTSWSA-N 0 0 240.144 3.677 10 0 BHAERN Cc1cc(Br)cc2c1NCC[C@@H]2C ZINC000306451420 360037119 /nfs/dbraw/zinc/03/71/19/360037119.db2.gz WIYDXWWDAUBHAO-ZETCQYMHSA-N 0 0 240.144 3.677 10 0 BHAERN CCCCc1cc(Br)c(F)cc1N ZINC000306456767 360047396 /nfs/dbraw/zinc/04/73/96/360047396.db2.gz VWENLOQXJGWGJP-UHFFFAOYSA-N 0 0 246.123 3.513 10 0 BHAERN CC(C)Nc1cc(Cl)cc(Br)c1 ZINC000306463985 360076381 /nfs/dbraw/zinc/07/63/81/360076381.db2.gz AFWQWKPSSPZTDL-UHFFFAOYSA-N 0 0 248.551 3.923 10 0 BHAERN CCC1(C(=O)c2ccc(F)cc2C)CC1 ZINC000306466449 360075339 /nfs/dbraw/zinc/07/53/39/360075339.db2.gz KSNORNGSAZGUBJ-UHFFFAOYSA-N 0 0 206.260 3.507 10 0 BHAERN O=C(c1cscc1C(F)(F)F)C1CCC1 ZINC000306466988 387201863 /nfs/dbraw/zinc/20/18/63/387201863.db2.gz LOSRRZMXDGSRBG-UHFFFAOYSA-N 0 0 234.242 3.750 10 0 BHAERN CCc1c(Cl)nc(CC2CCC2)nc1Cl ZINC000306467218 360080477 /nfs/dbraw/zinc/08/04/77/360080477.db2.gz LSGYMNHSVDDWOY-UHFFFAOYSA-N 0 0 245.153 3.688 10 0 BHAERN CCc1cc(C)sc1C(=O)C1(C)CC1 ZINC000306469133 360084375 /nfs/dbraw/zinc/08/43/75/360084375.db2.gz OUYVSQSJAHHYPJ-UHFFFAOYSA-N 0 0 208.326 3.602 10 0 BHAERN Clc1nnc(C(C2CCC2)C2CCC2)s1 ZINC000306471197 360097431 /nfs/dbraw/zinc/09/74/31/360097431.db2.gz ROJAZZUIBCKNSM-UHFFFAOYSA-N 0 0 242.775 3.875 10 0 BHAERN Nc1ccccc1-c1ccsc1Cl ZINC000306474345 360111712 /nfs/dbraw/zinc/11/17/12/360111712.db2.gz VQHFWCLZOWTZHS-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN CCC1(C(=O)c2c(F)cccc2Cl)CC1 ZINC000306476475 360110647 /nfs/dbraw/zinc/11/06/47/360110647.db2.gz YBBQQBPXRYUYID-UHFFFAOYSA-N 0 0 226.678 3.852 10 0 BHAERN Cc1csc(C(=O)CC2CCCC2)c1 ZINC000306479849 360119362 /nfs/dbraw/zinc/11/93/62/360119362.db2.gz BUGWBERTEUAFQC-UHFFFAOYSA-N 0 0 208.326 3.820 10 0 BHAERN Cc1cc(OCc2ccccc2)c(Cl)cc1N ZINC000306481823 360143510 /nfs/dbraw/zinc/14/35/10/360143510.db2.gz DILUZPOIJFZAOZ-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN Cc1csc([C@H](O)c2ccsc2C)c1 ZINC000306483363 360152337 /nfs/dbraw/zinc/15/23/37/360152337.db2.gz FIDLEUBVHHYWCW-LLVKDONJSA-N 0 0 224.350 3.508 10 0 BHAERN Cc1csc([C@@H](O)c2ccsc2C)c1 ZINC000306483364 360152264 /nfs/dbraw/zinc/15/22/64/360152264.db2.gz FIDLEUBVHHYWCW-NSHDSACASA-N 0 0 224.350 3.508 10 0 BHAERN C[C@H]1C[C@H]1c1csc(NCc2ccccc2)n1 ZINC000306484205 360153321 /nfs/dbraw/zinc/15/33/21/360153321.db2.gz MFAKOFVNRSQORH-CMPLNLGQSA-N 0 0 244.363 3.879 10 0 BHAERN C[C@H]1C[C@@H]1c1csc(NCc2ccccc2)n1 ZINC000306484206 360153443 /nfs/dbraw/zinc/15/34/43/360153443.db2.gz MFAKOFVNRSQORH-JQWIXIFHSA-N 0 0 244.363 3.879 10 0 BHAERN C[C@@H]1C[C@@H]1c1csc(NCc2ccccc2)n1 ZINC000306484207 360157486 /nfs/dbraw/zinc/15/74/86/360157486.db2.gz MFAKOFVNRSQORH-PWSUYJOCSA-N 0 0 244.363 3.879 10 0 BHAERN C[C@@H]1C[C@H]1c1csc(NCc2ccccc2)n1 ZINC000306484210 360157491 /nfs/dbraw/zinc/15/74/91/360157491.db2.gz MFAKOFVNRSQORH-ZYHUDNBSSA-N 0 0 244.363 3.879 10 0 BHAERN CC(C)(C(=O)c1cccs1)C1CCC1 ZINC000306485715 398203906 /nfs/dbraw/zinc/20/39/06/398203906.db2.gz HPBKJKRCMDFKDI-UHFFFAOYSA-N 0 0 208.326 3.757 10 0 BHAERN Cc1occc1CNc1ccsc1Cl ZINC000306490481 360201995 /nfs/dbraw/zinc/20/19/95/360201995.db2.gz VFDQZNVXEGIRGI-UHFFFAOYSA-N 0 0 227.716 3.915 10 0 BHAERN CC(=O)CSc1ccc(Cl)cc1Cl ZINC000306490708 360206573 /nfs/dbraw/zinc/20/65/73/360206573.db2.gz NFWFYHNIVZXGME-UHFFFAOYSA-N 0 0 235.135 3.675 10 0 BHAERN CC(C)(C(=O)[C@@]1(C)CCCS1)C1CCC1 ZINC000306492284 360205270 /nfs/dbraw/zinc/20/52/70/360205270.db2.gz PWKXRDBHOUHLPB-CYBMUJFWSA-N 0 0 226.385 3.668 10 0 BHAERN CC(C)(C(=O)[C@]1(C)CCCS1)C1CCC1 ZINC000306492285 360205725 /nfs/dbraw/zinc/20/57/25/360205725.db2.gz PWKXRDBHOUHLPB-ZDUSSCGKSA-N 0 0 226.385 3.668 10 0 BHAERN CC(C)(C)OC(=O)NCC(C)(C)C1=CCCC1 ZINC000306493008 387218514 /nfs/dbraw/zinc/21/85/14/387218514.db2.gz YJXWELHPOBPSJP-UHFFFAOYSA-N 0 0 239.359 3.648 10 0 BHAERN Cc1csc([C@H](O)C2CCCCC2)c1 ZINC000306494267 387217657 /nfs/dbraw/zinc/21/76/57/387217657.db2.gz TVGOHENKGPETNI-GFCCVEGCSA-N 0 0 210.342 3.670 10 0 BHAERN Cc1csc([C@@H](O)C2CCCCC2)c1 ZINC000306494269 387217413 /nfs/dbraw/zinc/21/74/13/387217413.db2.gz TVGOHENKGPETNI-LBPRGKRZSA-N 0 0 210.342 3.670 10 0 BHAERN O=C(c1csc(Cl)c1)c1cccs1 ZINC000306495963 360221787 /nfs/dbraw/zinc/22/17/87/360221787.db2.gz QUKWSJVTHXNVAU-UHFFFAOYSA-N 0 0 228.725 3.694 10 0 BHAERN C[C@H]1CCNc2c(Br)ccc(F)c21 ZINC000306496415 360223953 /nfs/dbraw/zinc/22/39/53/360223953.db2.gz DNBAPRSIGOYYSO-LURJTMIESA-N 0 0 244.107 3.507 10 0 BHAERN C[C@@H]1CCNc2c(Br)ccc(F)c21 ZINC000306496417 360224173 /nfs/dbraw/zinc/22/41/73/360224173.db2.gz DNBAPRSIGOYYSO-ZCFIWIBFSA-N 0 0 244.107 3.507 10 0 BHAERN Cc1cccc(Cl)c1C(=O)C(F)(F)Cl ZINC000306502382 353020627 /nfs/dbraw/zinc/02/06/27/353020627.db2.gz OLSZKSHIROLVEO-UHFFFAOYSA-N 0 0 239.048 3.663 10 0 BHAERN CC(C)Sc1cccc(Cl)c1[C@H](C)O ZINC000306508012 360310112 /nfs/dbraw/zinc/31/01/12/360310112.db2.gz AHESNQBTZTZRFP-QMMMGPOBSA-N 0 0 230.760 3.894 10 0 BHAERN C[C@]1(c2nc(C3CC3)cs2)CCCS1 ZINC000306508081 360316872 /nfs/dbraw/zinc/31/68/72/360316872.db2.gz ALZUJFUVXSAJSS-LLVKDONJSA-N 0 0 225.382 3.763 10 0 BHAERN C[C@@]1(c2nc(C3CC3)cs2)CCCS1 ZINC000306508082 360317247 /nfs/dbraw/zinc/31/72/47/360317247.db2.gz ALZUJFUVXSAJSS-NSHDSACASA-N 0 0 225.382 3.763 10 0 BHAERN CC(C)c1cnc(N[C@H](C)C(C)C)s1 ZINC000306511966 528224536 /nfs/dbraw/zinc/22/45/36/528224536.db2.gz OKGBVVDVHGOWJW-SECBINFHSA-N 0 0 212.362 3.723 10 0 BHAERN CC(C)c1cnc(N[C@@H](C)C(C)C)s1 ZINC000306511967 384771276 /nfs/dbraw/zinc/77/12/76/384771276.db2.gz OKGBVVDVHGOWJW-VIFPVBQESA-N 0 0 212.362 3.723 10 0 BHAERN CCc1c(Cl)c(F)c(F)c(F)c1Cl ZINC000306515385 360341405 /nfs/dbraw/zinc/34/14/05/360341405.db2.gz DGCJMZUKSWFJIB-UHFFFAOYSA-N 0 0 229.028 3.973 10 0 BHAERN CCOc1c(F)c(Cl)c(F)c(Cl)c1F ZINC000306515467 360341224 /nfs/dbraw/zinc/34/12/24/360341224.db2.gz DHMPKHRLZXAORO-UHFFFAOYSA-N 0 0 245.027 3.809 10 0 BHAERN CCCc1nc(-c2ccsc2)cs1 ZINC000306515847 360343234 /nfs/dbraw/zinc/34/32/34/360343234.db2.gz AFFRXHOFZPFQAP-UHFFFAOYSA-N 0 0 209.339 3.824 10 0 BHAERN Cc1ccc(CC(=O)C(C)(C)F)c(Cl)c1 ZINC000306518286 360346031 /nfs/dbraw/zinc/34/60/31/360346031.db2.gz HBKVRUOWMZQJOJ-UHFFFAOYSA-N 0 0 228.694 3.508 10 0 BHAERN Cc1cc(C)c(SC(F)(F)F)c(O)c1 ZINC000306520709 360357294 /nfs/dbraw/zinc/35/72/94/360357294.db2.gz LIRNFDWNKOVMID-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN CCOc1c(F)c(F)c(Cl)c(Cl)c1F ZINC000306521067 360358313 /nfs/dbraw/zinc/35/83/13/360358313.db2.gz MBSOWVCZTMVUMH-UHFFFAOYSA-N 0 0 245.027 3.809 10 0 BHAERN CC1(COc2cccnc2Cl)CCCC1 ZINC000306521237 360358156 /nfs/dbraw/zinc/35/81/56/360358156.db2.gz MMWXYOFKMZSVMR-UHFFFAOYSA-N 0 0 225.719 3.694 10 0 BHAERN Cc1cocc1C(=O)[C@@H]1CCCC[C@@H]1C ZINC000306521891 360355938 /nfs/dbraw/zinc/35/59/38/360355938.db2.gz NZJYLIVVCBBHRQ-GXSJLCMTSA-N 0 0 206.285 3.597 10 0 BHAERN Cc1cocc1C(=O)[C@H]1CCCC[C@H]1C ZINC000306521892 360356859 /nfs/dbraw/zinc/35/68/59/360356859.db2.gz NZJYLIVVCBBHRQ-KOLCDFICSA-N 0 0 206.285 3.597 10 0 BHAERN Cc1cocc1C(=O)[C@@H]1CCCC[C@H]1C ZINC000306521893 360355867 /nfs/dbraw/zinc/35/58/67/360355867.db2.gz NZJYLIVVCBBHRQ-MWLCHTKSSA-N 0 0 206.285 3.597 10 0 BHAERN Cc1cocc1C(=O)[C@H]1CCCC[C@@H]1C ZINC000306521894 360356566 /nfs/dbraw/zinc/35/65/66/360356566.db2.gz NZJYLIVVCBBHRQ-ONGXEEELSA-N 0 0 206.285 3.597 10 0 BHAERN CSc1cc(F)cc(Cl)c1Cl ZINC000306522202 360359250 /nfs/dbraw/zinc/35/92/50/360359250.db2.gz PEKPVAUMXQHOKE-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN CC1CCC(CC(=O)c2ccoc2)CC1 ZINC000306523268 360360852 /nfs/dbraw/zinc/36/08/52/360360852.db2.gz RWGDPDIFUUKVMP-UHFFFAOYSA-N 0 0 206.285 3.679 10 0 BHAERN Cc1cc(O)cc(SC(F)(F)F)c1C ZINC000306524086 360367867 /nfs/dbraw/zinc/36/78/67/360367867.db2.gz XBQJSTDHQPHACB-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN CCCc1nc2c(s1)[C@@H](C)C[C@@H](C)C2 ZINC000306529044 360378189 /nfs/dbraw/zinc/37/81/89/360378189.db2.gz BYMFXVLFANMETE-BDAKNGLRSA-N 0 0 209.358 3.781 10 0 BHAERN CCCc1nc2c(s1)[C@H](C)C[C@H](C)C2 ZINC000306529050 360378049 /nfs/dbraw/zinc/37/80/49/360378049.db2.gz BYMFXVLFANMETE-DTWKUNHWSA-N 0 0 209.358 3.781 10 0 BHAERN CCCc1nc2c(s1)[C@@H](C)C[C@H](C)C2 ZINC000306529056 360377915 /nfs/dbraw/zinc/37/79/15/360377915.db2.gz BYMFXVLFANMETE-IUCAKERBSA-N 0 0 209.358 3.781 10 0 BHAERN CCCc1nc2c(s1)[C@H](C)C[C@@H](C)C2 ZINC000306529062 360377865 /nfs/dbraw/zinc/37/78/65/360377865.db2.gz BYMFXVLFANMETE-RKDXNWHRSA-N 0 0 209.358 3.781 10 0 BHAERN Cc1cc(-c2cccc(F)c2C=O)cs1 ZINC000306532208 360391309 /nfs/dbraw/zinc/39/13/09/360391309.db2.gz BJYCRRIKGWENPA-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN O=C1CSC(C(C2CCC2)C2CCC2)=N1 ZINC000306534455 360397081 /nfs/dbraw/zinc/39/70/81/360397081.db2.gz DRXBZAMNPXOWFM-UHFFFAOYSA-N 0 0 223.341 3.533 10 0 BHAERN Cc1cc(-c2ccc(C=O)cc2Cl)sn1 ZINC000306534537 643175884 /nfs/dbraw/zinc/17/58/84/643175884.db2.gz KSQZOASGWZCNBK-UHFFFAOYSA-N 0 0 237.711 3.584 10 0 BHAERN Cc1cc(Cl)c(Cl)c(OC(F)F)c1 ZINC000306535461 360399520 /nfs/dbraw/zinc/39/95/20/360399520.db2.gz GEWQAXNOCBKXLU-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN CCCc1nc2c(s1)CCC[C@H]2CC ZINC000306536363 360396239 /nfs/dbraw/zinc/39/62/39/360396239.db2.gz KLQWZNPVTAXBKN-SECBINFHSA-N 0 0 209.358 3.926 10 0 BHAERN CCCc1nc2c(s1)CCC[C@@H]2CC ZINC000306536364 360396101 /nfs/dbraw/zinc/39/61/01/360396101.db2.gz KLQWZNPVTAXBKN-VIFPVBQESA-N 0 0 209.358 3.926 10 0 BHAERN CC1(C)CS[C@H](c2ccsc2Cl)N1 ZINC000306536769 360396999 /nfs/dbraw/zinc/39/69/99/360396999.db2.gz NMDHBTXFUKXXTO-MRVPVSSYSA-N 0 0 233.789 3.515 10 0 BHAERN Cc1cc(Cn2cc(C)c(C)c2)cs1 ZINC000306536856 360398923 /nfs/dbraw/zinc/39/89/23/360398923.db2.gz HVKKXPMEUNDOOZ-UHFFFAOYSA-N 0 0 205.326 3.523 10 0 BHAERN CC1(C)CS[C@@H](c2ccsc2Cl)N1 ZINC000306537076 360403293 /nfs/dbraw/zinc/40/32/93/360403293.db2.gz NMDHBTXFUKXXTO-QMMMGPOBSA-N 0 0 233.789 3.515 10 0 BHAERN CC[C@@H]1CCC[C@H](C2=NC(=O)CS2)C1 ZINC000306537551 360402892 /nfs/dbraw/zinc/40/28/92/360402892.db2.gz LLUDGYADSGCVLW-BDAKNGLRSA-N 0 0 211.330 3.533 10 0 BHAERN CC[C@H]1CCC[C@@H](C2=NC(=O)CS2)C1 ZINC000306537553 360403471 /nfs/dbraw/zinc/40/34/71/360403471.db2.gz LLUDGYADSGCVLW-DTWKUNHWSA-N 0 0 211.330 3.533 10 0 BHAERN CC[C@H]1CCC[C@H](C2=NC(=O)CS2)C1 ZINC000306537555 360403126 /nfs/dbraw/zinc/40/31/26/360403126.db2.gz LLUDGYADSGCVLW-IUCAKERBSA-N 0 0 211.330 3.533 10 0 BHAERN CC[C@@H]1CCC[C@@H](C2=NC(=O)CS2)C1 ZINC000306537558 360403444 /nfs/dbraw/zinc/40/34/44/360403444.db2.gz LLUDGYADSGCVLW-RKDXNWHRSA-N 0 0 211.330 3.533 10 0 BHAERN O=C1CCC[C@H](Cc2csc(Cl)c2)C1 ZINC000306540569 360405617 /nfs/dbraw/zinc/40/56/17/360405617.db2.gz OYVUQVQHUJINAS-MRVPVSSYSA-N 0 0 228.744 3.703 10 0 BHAERN O=C1CCC[C@@H](Cc2csc(Cl)c2)C1 ZINC000306540570 360405608 /nfs/dbraw/zinc/40/56/08/360405608.db2.gz OYVUQVQHUJINAS-QMMMGPOBSA-N 0 0 228.744 3.703 10 0 BHAERN CC(C)[C@@H](C)c1nc2c(c(Cl)n1)CSC2 ZINC000306542398 372031815 /nfs/dbraw/zinc/03/18/15/372031815.db2.gz QWHDQOQFJUOSAC-SSDOTTSWSA-N 0 0 242.775 3.636 10 0 BHAERN CC(C)[C@H](C)c1nc2c(c(Cl)n1)CSC2 ZINC000306542399 372032228 /nfs/dbraw/zinc/03/22/28/372032228.db2.gz QWHDQOQFJUOSAC-ZETCQYMHSA-N 0 0 242.775 3.636 10 0 BHAERN Cc1cc(C(=O)Cc2csc(Cl)c2)co1 ZINC000306542804 360411611 /nfs/dbraw/zinc/41/16/11/360411611.db2.gz RKJRAZNISIMZRJ-UHFFFAOYSA-N 0 0 240.711 3.728 10 0 BHAERN Fc1cccc(NCc2ccsc2Cl)n1 ZINC000306543685 360412287 /nfs/dbraw/zinc/41/22/87/360412287.db2.gz SUYILPWEQFJOHS-UHFFFAOYSA-N 0 0 242.706 3.548 10 0 BHAERN Cc1cscc1NC1CC(C(F)F)C1 ZINC000306544147 353023283 /nfs/dbraw/zinc/02/32/83/353023283.db2.gz UMFPLZXNZILTTB-UHFFFAOYSA-N 0 0 217.284 3.512 10 0 BHAERN C[C@@H]1SCC[C@@H]1Nc1ccsc1Cl ZINC000306544283 353023159 /nfs/dbraw/zinc/02/31/59/353023159.db2.gz UQBVUOBQHJKPAI-BQBZGAKWSA-N 0 0 233.789 3.707 10 0 BHAERN C[C@@H]1SCC[C@H]1Nc1ccsc1Cl ZINC000306544285 353022908 /nfs/dbraw/zinc/02/29/08/353022908.db2.gz UQBVUOBQHJKPAI-NKWVEPMBSA-N 0 0 233.789 3.707 10 0 BHAERN C[C@H]1SCC[C@H]1Nc1ccsc1Cl ZINC000306544287 360413633 /nfs/dbraw/zinc/41/36/33/360413633.db2.gz UQBVUOBQHJKPAI-RNFRBKRXSA-N 0 0 233.789 3.707 10 0 BHAERN C[C@H]1SCC[C@@H]1Nc1ccsc1Cl ZINC000306544289 360413291 /nfs/dbraw/zinc/41/32/91/360413291.db2.gz UQBVUOBQHJKPAI-RQJHMYQMSA-N 0 0 233.789 3.707 10 0 BHAERN O=Cc1cccc(C2=CCCCC2)c1F ZINC000306551523 372036055 /nfs/dbraw/zinc/03/60/55/372036055.db2.gz FRYMOVGJCLAHLZ-UHFFFAOYSA-N 0 0 204.244 3.596 10 0 BHAERN CCc1csc(CC2CCCCC2)n1 ZINC000306554591 360427957 /nfs/dbraw/zinc/42/79/57/360427957.db2.gz HIPCJXGOYNAGGC-UHFFFAOYSA-N 0 0 209.358 3.828 10 0 BHAERN Cc1cc(F)cc(F)c1SC(F)(F)F ZINC000306554767 360427678 /nfs/dbraw/zinc/42/76/78/360427678.db2.gz CDISRMHKRYISHA-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN Cc1sccc1-c1cccc(F)c1C=O ZINC000306556110 360430023 /nfs/dbraw/zinc/43/00/23/360430023.db2.gz MJMSCIGINKBDKZ-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN CC(=O)c1c(C)ccc(Cl)c1Cl ZINC000306556427 360430070 /nfs/dbraw/zinc/43/00/70/360430070.db2.gz IIFPIAGLHZCKPC-UHFFFAOYSA-N 0 0 203.068 3.504 10 0 BHAERN CCC1(Nc2ncc(Cl)cc2Cl)CC1 ZINC000306556917 360428852 /nfs/dbraw/zinc/42/88/52/360428852.db2.gz IRDUQRVYMJWIRK-UHFFFAOYSA-N 0 0 231.126 3.743 10 0 BHAERN CC(=O)c1ccc(Cl)c(Cl)c1C ZINC000306558133 360433116 /nfs/dbraw/zinc/43/31/16/360433116.db2.gz JWYIYHLLCVFHLJ-UHFFFAOYSA-N 0 0 203.068 3.504 10 0 BHAERN CSc1c(Cl)ccc(F)c1Cl ZINC000306558425 360433007 /nfs/dbraw/zinc/43/30/07/360433007.db2.gz KFGJAKYNOOEHLL-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN CC(=O)c1ccc(F)c(C2=CCCC2)c1 ZINC000306558718 360432731 /nfs/dbraw/zinc/43/27/31/360432731.db2.gz PPJIIZRDMWLNJM-UHFFFAOYSA-N 0 0 204.244 3.596 10 0 BHAERN Cc1cc(Cl)cc(OC(F)F)c1Cl ZINC000306559086 360434050 /nfs/dbraw/zinc/43/40/50/360434050.db2.gz PYQRLEHHIIVCNO-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN CC[C@@H]1CCC[C@H]1Nc1csc(Cl)n1 ZINC000306559349 360434024 /nfs/dbraw/zinc/43/40/24/360434024.db2.gz LGUJGFVDOAXARI-HTQZYQBOSA-N 0 0 230.764 3.787 10 0 BHAERN CC[C@H]1CCC[C@H]1Nc1csc(Cl)n1 ZINC000306559350 360434002 /nfs/dbraw/zinc/43/40/02/360434002.db2.gz LGUJGFVDOAXARI-JGVFFNPUSA-N 0 0 230.764 3.787 10 0 BHAERN CC[C@@H]1CCC[C@@H]1Nc1csc(Cl)n1 ZINC000306559351 360434151 /nfs/dbraw/zinc/43/41/51/360434151.db2.gz LGUJGFVDOAXARI-SFYZADRCSA-N 0 0 230.764 3.787 10 0 BHAERN CC[C@H]1CCC[C@@H]1Nc1csc(Cl)n1 ZINC000306559352 360433970 /nfs/dbraw/zinc/43/39/70/360433970.db2.gz LGUJGFVDOAXARI-YUMQZZPRSA-N 0 0 230.764 3.787 10 0 BHAERN Cc1nc(C)c(C(=O)CC2(C)CCC2)s1 ZINC000306559500 360434132 /nfs/dbraw/zinc/43/41/32/360434132.db2.gz LNNBVXYEZQLUHB-UHFFFAOYSA-N 0 0 223.341 3.523 10 0 BHAERN CC[C@@H](C)C(=O)c1cc(C)ccc1Cl ZINC000306563262 360440875 /nfs/dbraw/zinc/44/08/75/360440875.db2.gz VLSJWLVTPGGNDF-SECBINFHSA-N 0 0 210.704 3.877 10 0 BHAERN CC[C@H](C)C(=O)c1cc(C)ccc1Cl ZINC000306563263 360440712 /nfs/dbraw/zinc/44/07/12/360440712.db2.gz VLSJWLVTPGGNDF-VIFPVBQESA-N 0 0 210.704 3.877 10 0 BHAERN Cc1cc(CNc2ccsc2)cs1 ZINC000306566206 360445841 /nfs/dbraw/zinc/44/58/41/360445841.db2.gz RVMBOZLAYJIKPD-UHFFFAOYSA-N 0 0 209.339 3.730 10 0 BHAERN Cc1cc(Cl)c(Cl)cc1OC(F)F ZINC000306566751 360446049 /nfs/dbraw/zinc/44/60/49/360446049.db2.gz YXTPJADWXBMONN-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN Cc1ccc(C(=O)CC2(C)CCC2)cc1 ZINC000306568060 360446079 /nfs/dbraw/zinc/44/60/79/360446079.db2.gz UDRMBRZLPGQOHE-UHFFFAOYSA-N 0 0 202.297 3.758 10 0 BHAERN Clc1ccccc1NCC1=CCCC1 ZINC000306572759 360460903 /nfs/dbraw/zinc/46/09/03/360460903.db2.gz HULGLWIJVZCVNZ-UHFFFAOYSA-N 0 0 207.704 3.862 10 0 BHAERN O[C@@H](CC1=CCCC1)c1sccc1Cl ZINC000306574230 360462741 /nfs/dbraw/zinc/46/27/41/360462741.db2.gz IEZVPEWZDIBCKR-JTQLQIEISA-N 0 0 228.744 3.935 10 0 BHAERN O[C@H](CC1=CCCC1)c1sccc1Cl ZINC000306574231 360462485 /nfs/dbraw/zinc/46/24/85/360462485.db2.gz IEZVPEWZDIBCKR-SNVBAGLBSA-N 0 0 228.744 3.935 10 0 BHAERN CC[C@H]1CC[C@H](C(=O)c2ccns2)CC1 ZINC000306574815 360464165 /nfs/dbraw/zinc/46/41/65/360464165.db2.gz ITCOLGKBABOEDF-MGCOHNPYSA-N 0 0 223.341 3.542 10 0 BHAERN O=C(CC1CCCCCC1)c1ccns1 ZINC000306575462 360465245 /nfs/dbraw/zinc/46/52/45/360465245.db2.gz JDWOKESVIPGWAM-UHFFFAOYSA-N 0 0 223.341 3.686 10 0 BHAERN Cc1ccc(C)c(SC(F)(F)F)c1O ZINC000306576737 353026236 /nfs/dbraw/zinc/02/62/36/353026236.db2.gz KRMSIRJRJQKUOA-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN Clc1ccccc1OCC1=CCCC1 ZINC000306578500 360467618 /nfs/dbraw/zinc/46/76/18/360467618.db2.gz MEJUFWDQTDQSNE-UHFFFAOYSA-N 0 0 208.688 3.829 10 0 BHAERN CCOc1c(Cl)c(F)c(F)c(F)c1Cl ZINC000306580232 353026232 /nfs/dbraw/zinc/02/62/32/353026232.db2.gz OBYBVPMWAPNBEZ-UHFFFAOYSA-N 0 0 245.027 3.809 10 0 BHAERN Oc1cc(Cl)c(Cl)c(C(F)F)c1 ZINC000306580288 360470517 /nfs/dbraw/zinc/47/05/17/360470517.db2.gz OHMIMHHRGINRMN-UHFFFAOYSA-N 0 0 213.010 3.637 10 0 BHAERN CCOc1ccc(C)c(Cl)c1Cl ZINC000306581093 360478699 /nfs/dbraw/zinc/47/86/99/360478699.db2.gz PHQHCYFSGHYKOQ-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN Oc1ccc(Cl)c(Cl)c1C(F)F ZINC000306582094 360480164 /nfs/dbraw/zinc/48/01/64/360480164.db2.gz CUGJKVOWBGUVKR-UHFFFAOYSA-N 0 0 213.010 3.637 10 0 BHAERN O=C1CCC[C@H](C[C@H]2CCCC2(F)F)C1 ZINC000306582325 360480789 /nfs/dbraw/zinc/48/07/89/360480789.db2.gz QFRDCRQXOKTLRJ-NXEZZACHSA-N 0 0 216.271 3.571 10 0 BHAERN O=C1CCC[C@@H](C[C@@H]2CCCC2(F)F)C1 ZINC000306582327 360480997 /nfs/dbraw/zinc/48/09/97/360480997.db2.gz QFRDCRQXOKTLRJ-UWVGGRQHSA-N 0 0 216.271 3.571 10 0 BHAERN O=C1CCC[C@@H](C[C@H]2CCCC2(F)F)C1 ZINC000306582328 360481520 /nfs/dbraw/zinc/48/15/20/360481520.db2.gz QFRDCRQXOKTLRJ-VHSXEESVSA-N 0 0 216.271 3.571 10 0 BHAERN O=C1CCC[C@H](C[C@@H]2CCCC2(F)F)C1 ZINC000306582330 360480690 /nfs/dbraw/zinc/48/06/90/360480690.db2.gz QFRDCRQXOKTLRJ-ZJUUUORDSA-N 0 0 216.271 3.571 10 0 BHAERN FC(F)Oc1cc(Cl)cc2scnc21 ZINC000306582652 360483531 /nfs/dbraw/zinc/48/35/31/360483531.db2.gz CPUXMYQEYVLXPA-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN Cc1ccc(OC(F)F)c(Cl)c1Cl ZINC000306582868 353027062 /nfs/dbraw/zinc/02/70/62/353027062.db2.gz QLLSNFNGRXAYQR-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN Fc1cc(Cl)cc(C(F)(F)F)c1F ZINC000306583179 353027074 /nfs/dbraw/zinc/02/70/74/353027074.db2.gz CXPCHWZVOGXZPG-UHFFFAOYSA-N 0 0 216.536 3.637 10 0 BHAERN Cc1cc(F)c(F)cc1SC(F)(F)F ZINC000306583634 360482007 /nfs/dbraw/zinc/48/20/07/360482007.db2.gz FOFNCGSFAAAAHE-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN CSc1c(F)cc(F)cc1C(F)F ZINC000306584081 360483484 /nfs/dbraw/zinc/48/34/84/360483484.db2.gz GEFPVTDMGOUEAY-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN CCCC1(Nc2nc(Cl)ncc2Cl)CC1 ZINC000306584390 353027044 /nfs/dbraw/zinc/02/70/44/353027044.db2.gz GFMDZOMJPSOLPP-UHFFFAOYSA-N 0 0 246.141 3.528 10 0 BHAERN CSc1cc(F)cc(C(F)F)c1F ZINC000306584469 360482481 /nfs/dbraw/zinc/48/24/81/360482481.db2.gz GPKHOCIJXVFOJD-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN CCc1oc(Br)nc1[C@@H]1CC1(C)C ZINC000306584671 360484746 /nfs/dbraw/zinc/48/47/46/360484746.db2.gz RXNORRWKAIMSLN-LURJTMIESA-N 0 0 244.132 3.513 10 0 BHAERN CCc1oc(Br)nc1[C@H]1CC1(C)C ZINC000306584672 360484616 /nfs/dbraw/zinc/48/46/16/360484616.db2.gz RXNORRWKAIMSLN-ZCFIWIBFSA-N 0 0 244.132 3.513 10 0 BHAERN Cc1cc(OC(F)(F)F)cc(F)c1Cl ZINC000306584683 353027168 /nfs/dbraw/zinc/02/71/68/353027168.db2.gz RXVWMOYQCRPUKA-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN Cc1cc(O)c(C)c(SC(F)(F)F)c1 ZINC000306585719 360485868 /nfs/dbraw/zinc/48/58/68/360485868.db2.gz QXXVNFCKAZNKHS-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN Clc1sccc1NCC1=CCCC1 ZINC000306588636 360491926 /nfs/dbraw/zinc/49/19/26/360491926.db2.gz TVFSVMPRLSESEN-UHFFFAOYSA-N 0 0 213.733 3.924 10 0 BHAERN Cc1cc(Cl)ccc1OCC1CCC1 ZINC000306590244 360494056 /nfs/dbraw/zinc/49/40/56/360494056.db2.gz UZKMWEXDCVMZNG-UHFFFAOYSA-N 0 0 210.704 3.827 10 0 BHAERN CC(F)(F)C(=O)CC1CCC(C)(C)CC1 ZINC000306590786 360510158 /nfs/dbraw/zinc/51/01/58/360510158.db2.gz ALVHZTXUDVWYLV-UHFFFAOYSA-N 0 0 218.287 3.817 10 0 BHAERN O=C(c1ccns1)C1CCCCCCC1 ZINC000306590803 360510084 /nfs/dbraw/zinc/51/00/84/360510084.db2.gz YBJIPYRVNQUVJT-UHFFFAOYSA-N 0 0 223.341 3.686 10 0 BHAERN CSc1ccc(F)c(F)c1C(F)F ZINC000306595717 360516314 /nfs/dbraw/zinc/51/63/14/360516314.db2.gz LMKXTBCBEJWOJY-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN O=C1CSC(c2cc(Cl)cc(Cl)c2)=N1 ZINC000306596578 360518277 /nfs/dbraw/zinc/51/82/77/360518277.db2.gz MTEXAQPICNOASD-UHFFFAOYSA-N 0 0 246.118 3.823 10 0 BHAERN CSc1cc(F)c(F)cc1C(F)F ZINC000306597729 360519819 /nfs/dbraw/zinc/51/98/19/360519819.db2.gz OTMJVPLMWKCJKQ-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN CCCC1(Nc2cc(Cl)nc(Cl)n2)CC1 ZINC000306599289 360520101 /nfs/dbraw/zinc/52/01/01/360520101.db2.gz RCMWDNUHJSCCIT-UHFFFAOYSA-N 0 0 246.141 3.528 10 0 BHAERN Cc1cc(Cl)c(F)c(C(F)(F)F)c1 ZINC000306601136 360529224 /nfs/dbraw/zinc/52/92/24/360529224.db2.gz JXJPOTVVTABSGL-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN CC(C)OCc1cc(Cl)cc(Cl)c1N ZINC000306602522 360529092 /nfs/dbraw/zinc/52/90/92/360529092.db2.gz WEZVTSHSSNYMOM-UHFFFAOYSA-N 0 0 234.126 3.501 10 0 BHAERN Cc1c(F)cc(F)cc1SC(F)(F)F ZINC000306603848 360532516 /nfs/dbraw/zinc/53/25/16/360532516.db2.gz XWLMZUBJKXXMCH-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN CC(=O)c1cc(Cl)cc(Cl)c1C ZINC000306604026 360531708 /nfs/dbraw/zinc/53/17/08/360531708.db2.gz DSLOWAZMGAJIMQ-UHFFFAOYSA-N 0 0 203.068 3.504 10 0 BHAERN Cc1c(Cl)c(F)ccc1C(F)(F)F ZINC000306604148 360533056 /nfs/dbraw/zinc/53/30/56/360533056.db2.gz NLRLDAKIMCAKHF-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Cc1ccc(Cl)c(F)c1C(F)(F)F ZINC000306608482 360547916 /nfs/dbraw/zinc/54/79/16/360547916.db2.gz WDQUFYLNAXBVIG-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Cc1cn(Cc2csc(Cl)c2)cc1C ZINC000306608923 360574567 /nfs/dbraw/zinc/57/45/67/360574567.db2.gz XHRSDKNPRHOHLJ-UHFFFAOYSA-N 0 0 225.744 3.868 10 0 BHAERN Cc1c(F)ccc(Cl)c1C(F)(F)F ZINC000306609735 372045609 /nfs/dbraw/zinc/04/56/09/372045609.db2.gz ZAVYDZIKTDHSEY-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Cc1c(F)cc(Cl)cc1C(F)(F)F ZINC000306609919 372045013 /nfs/dbraw/zinc/04/50/13/372045013.db2.gz ZJBKLHAPZFWXGM-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN FC(F)C1CC(Nc2ccsc2Cl)C1 ZINC000306613707 361086100 /nfs/dbraw/zinc/08/61/00/361086100.db2.gz LBCVXXMWVJXIGL-UHFFFAOYSA-N 0 0 237.702 3.857 10 0 BHAERN C[C@@H]1CCN[C@@H](c2sccc2Cl)S1 ZINC000306618673 361194547 /nfs/dbraw/zinc/19/45/47/361194547.db2.gz SYESFMNIJFDQPD-HZGVNTEJSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@H]1CCN[C@@H](c2sccc2Cl)S1 ZINC000306618674 361194076 /nfs/dbraw/zinc/19/40/76/361194076.db2.gz SYESFMNIJFDQPD-IMTBSYHQSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@@H]1CCN[C@H](c2sccc2Cl)S1 ZINC000306618675 361194766 /nfs/dbraw/zinc/19/47/66/361194766.db2.gz SYESFMNIJFDQPD-MUWHJKNJSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@H]1CCN[C@H](c2sccc2Cl)S1 ZINC000306618676 361194409 /nfs/dbraw/zinc/19/44/09/361194409.db2.gz SYESFMNIJFDQPD-RCOVLWMOSA-N 0 0 233.789 3.515 10 0 BHAERN Cc1cc(NCCCF)c(Cl)cc1F ZINC000306618677 361194480 /nfs/dbraw/zinc/19/44/80/361194480.db2.gz SYHGFQTZNUNLRS-UHFFFAOYSA-N 0 0 219.662 3.559 10 0 BHAERN Clc1sccc1NCc1ccoc1 ZINC000306626329 353030099 /nfs/dbraw/zinc/03/00/99/353030099.db2.gz HZTFMPUZEWHFDE-UHFFFAOYSA-N 0 0 213.689 3.607 10 0 BHAERN Oc1ccc(Cl)c(OC(F)(F)F)c1Cl ZINC000306627303 361297138 /nfs/dbraw/zinc/29/71/38/361297138.db2.gz IRNDWSAINUCDEJ-UHFFFAOYSA-N 0 0 246.999 3.598 10 0 BHAERN S=c1cnc(-c2sccc2Cl)c[nH]1 ZINC000306629828 361300387 /nfs/dbraw/zinc/30/03/87/361300387.db2.gz LMCWWXIOOPKGRZ-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN CC1CCC(C(=O)c2sccc2F)CC1 ZINC000306630084 361300171 /nfs/dbraw/zinc/30/01/71/361300171.db2.gz KMTRUWRRDMLGTM-UHFFFAOYSA-N 0 0 226.316 3.896 10 0 BHAERN CC(C)C(=O)c1cc(Cl)cc(F)c1Cl ZINC000306635019 397959846 /nfs/dbraw/zinc/95/98/46/397959846.db2.gz YDYCZKKXHPSLMW-UHFFFAOYSA-N 0 0 235.085 3.971 10 0 BHAERN CC(=O)c1nc(-c2ccc(C)s2)sc1C ZINC000306636329 361445244 /nfs/dbraw/zinc/44/52/44/361445244.db2.gz AYKUHNLNBBQVAB-UHFFFAOYSA-N 0 0 237.349 3.691 10 0 BHAERN CC[C@@H]1CCc2nc(C(C)C)sc2C1 ZINC000306637460 361568599 /nfs/dbraw/zinc/56/85/99/361568599.db2.gz BUQZKVBNUMMZKZ-SECBINFHSA-N 0 0 209.358 3.781 10 0 BHAERN CC[C@H]1CCc2nc(C(C)C)sc2C1 ZINC000306637462 361568833 /nfs/dbraw/zinc/56/88/33/361568833.db2.gz BUQZKVBNUMMZKZ-VIFPVBQESA-N 0 0 209.358 3.781 10 0 BHAERN CCOc1cc(Cl)c(F)cc1Cl ZINC000306638678 353030565 /nfs/dbraw/zinc/03/05/65/353030565.db2.gz GUNLOXGRDDZUJZ-UHFFFAOYSA-N 0 0 209.047 3.531 10 0 BHAERN CC(C)c1ccccc1C(=O)C1CCC1 ZINC000306638814 361587618 /nfs/dbraw/zinc/58/76/18/361587618.db2.gz CAHRUJHFAHKWKD-UHFFFAOYSA-N 0 0 202.297 3.793 10 0 BHAERN CC[C@@](O)(c1sccc1C)C(C)(C)C ZINC000306639243 361591539 /nfs/dbraw/zinc/59/15/39/361591539.db2.gz NVNGXSQPBDOTOK-GFCCVEGCSA-N 0 0 212.358 3.700 10 0 BHAERN CC[C@](O)(c1sccc1C)C(C)(C)C ZINC000306639245 361592325 /nfs/dbraw/zinc/59/23/25/361592325.db2.gz NVNGXSQPBDOTOK-LBPRGKRZSA-N 0 0 212.358 3.700 10 0 BHAERN Oc1c(Cl)cc(Cl)cc1OC(F)(F)F ZINC000306642115 361757391 /nfs/dbraw/zinc/75/73/91/361757391.db2.gz RSUHLPKZDQFPSW-UHFFFAOYSA-N 0 0 246.999 3.598 10 0 BHAERN Oc1cc(Cl)c(OC(F)(F)F)cc1Cl ZINC000306642639 353031232 /nfs/dbraw/zinc/03/12/32/353031232.db2.gz UGTCNHVCDUCKBN-UHFFFAOYSA-N 0 0 246.999 3.598 10 0 BHAERN Fc1ccc(Cl)c(OC(F)(F)F)c1F ZINC000306647967 361838433 /nfs/dbraw/zinc/83/84/33/361838433.db2.gz PUONPXSSEFOEGM-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN CC[C@@H](C)c1cc(N)c(Br)s1 ZINC000306648032 361837522 /nfs/dbraw/zinc/83/75/22/361837522.db2.gz BENZIIAQYMADOD-RXMQYKEDSA-N 0 0 234.162 3.606 10 0 BHAERN CC[C@H](C)c1cc(N)c(Br)s1 ZINC000306648034 361838265 /nfs/dbraw/zinc/83/82/65/361838265.db2.gz BENZIIAQYMADOD-YFKPBYRVSA-N 0 0 234.162 3.606 10 0 BHAERN CC1(C)CCC(C[C@H]2CCCC2=O)CC1 ZINC000306648651 361839552 /nfs/dbraw/zinc/83/95/52/361839552.db2.gz DWXOQPHHGLFCGA-GFCCVEGCSA-N 0 0 208.345 3.962 10 0 BHAERN CC1(C)CCC(C[C@@H]2CCCC2=O)CC1 ZINC000306648653 361839078 /nfs/dbraw/zinc/83/90/78/361839078.db2.gz DWXOQPHHGLFCGA-LBPRGKRZSA-N 0 0 208.345 3.962 10 0 BHAERN Cc1c(Cl)ccc(F)c1C(F)(F)F ZINC000306654295 353032000 /nfs/dbraw/zinc/03/20/00/353032000.db2.gz JSGZVTRDPCIGLD-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Cc1ccc([C@](C)(O)[C@@H](C)C(C)C)s1 ZINC000306657418 361866859 /nfs/dbraw/zinc/86/68/59/361866859.db2.gz HYXRBKVYAHUJSN-CMPLNLGQSA-N 0 0 212.358 3.556 10 0 BHAERN Cc1ccc([C@@](C)(O)[C@@H](C)C(C)C)s1 ZINC000306657422 361867615 /nfs/dbraw/zinc/86/76/15/361867615.db2.gz HYXRBKVYAHUJSN-JQWIXIFHSA-N 0 0 212.358 3.556 10 0 BHAERN Cc1ccc([C@@](C)(O)[C@H](C)C(C)C)s1 ZINC000306657425 361867029 /nfs/dbraw/zinc/86/70/29/361867029.db2.gz HYXRBKVYAHUJSN-PWSUYJOCSA-N 0 0 212.358 3.556 10 0 BHAERN Cc1ccc([C@](C)(O)[C@H](C)C(C)C)s1 ZINC000306657429 361867155 /nfs/dbraw/zinc/86/71/55/361867155.db2.gz HYXRBKVYAHUJSN-ZYHUDNBSSA-N 0 0 212.358 3.556 10 0 BHAERN Brc1nc2c(s1)C1CCC2CC1 ZINC000306663274 362022220 /nfs/dbraw/zinc/02/22/20/362022220.db2.gz QNDTVODCJNYSFK-UHFFFAOYSA-N 0 0 244.157 3.660 10 0 BHAERN Cc1c(Cl)ccc(N)c1OCc1ccccc1 ZINC000306668024 362027042 /nfs/dbraw/zinc/02/70/42/362027042.db2.gz FNOXCVAJUMPNTC-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN CCOc1c(F)ccc(Cl)c1Cl ZINC000306668830 362028508 /nfs/dbraw/zinc/02/85/08/362028508.db2.gz AENJLMFQFKQTCX-UHFFFAOYSA-N 0 0 209.047 3.531 10 0 BHAERN CCC1(C[C@@H]2C[C@H](C)CCC2=O)CCC1 ZINC000306669885 362032069 /nfs/dbraw/zinc/03/20/69/362032069.db2.gz LHYDTJGAJWROQD-NEPJUHHUSA-N 0 0 208.345 3.962 10 0 BHAERN CCC1(C[C@H]2C[C@@H](C)CCC2=O)CCC1 ZINC000306669890 362032239 /nfs/dbraw/zinc/03/22/39/362032239.db2.gz LHYDTJGAJWROQD-NWDGAFQWSA-N 0 0 208.345 3.962 10 0 BHAERN CCC1(C[C@@H]2C[C@@H](C)CCC2=O)CCC1 ZINC000306669897 362032690 /nfs/dbraw/zinc/03/26/90/362032690.db2.gz LHYDTJGAJWROQD-RYUDHWBXSA-N 0 0 208.345 3.962 10 0 BHAERN CCC1(C[C@H]2C[C@H](C)CCC2=O)CCC1 ZINC000306669903 362032676 /nfs/dbraw/zinc/03/26/76/362032676.db2.gz LHYDTJGAJWROQD-VXGBXAGGSA-N 0 0 208.345 3.962 10 0 BHAERN OC1(Cc2sccc2Cl)CCCCC1 ZINC000306673277 350816067 /nfs/dbraw/zinc/81/60/67/350816067.db2.gz NFZYULLWLWPUJY-UHFFFAOYSA-N 0 0 230.760 3.639 10 0 BHAERN CC1(Nc2ncc(Cl)s2)CCCC1 ZINC000306674275 350822959 /nfs/dbraw/zinc/82/29/59/350822959.db2.gz QBAKRWIBLVJFTE-UHFFFAOYSA-N 0 0 216.737 3.541 10 0 BHAERN O=C(Cc1sccc1Cl)C1CCCC1 ZINC000306674736 350823921 /nfs/dbraw/zinc/82/39/21/350823921.db2.gz QYIUPYKLDNFJMZ-UHFFFAOYSA-N 0 0 228.744 3.703 10 0 BHAERN CC1(CC(=O)c2ccc(F)cc2)CCC1 ZINC000306674853 350825572 /nfs/dbraw/zinc/82/55/72/350825572.db2.gz RKEVRIVTURJSRS-UHFFFAOYSA-N 0 0 206.260 3.589 10 0 BHAERN CCC(=O)c1cc(Cl)cc(F)c1Cl ZINC000306677811 350832842 /nfs/dbraw/zinc/83/28/42/350832842.db2.gz ZXGBKXQCUCLSRX-UHFFFAOYSA-N 0 0 221.058 3.725 10 0 BHAERN CC(C)(C)C(=O)c1csc(Cl)c1 ZINC000306677898 350833266 /nfs/dbraw/zinc/83/32/66/350833266.db2.gz AHGLOJZOEMEFSL-UHFFFAOYSA-N 0 0 202.706 3.630 10 0 BHAERN Cc1cc(C(=O)C(C)(F)F)c(C)cc1Cl ZINC000306682554 350838666 /nfs/dbraw/zinc/83/86/66/350838666.db2.gz RPPUPNZHLWPGIA-UHFFFAOYSA-N 0 0 232.657 3.795 10 0 BHAERN C[C@H](C(=O)c1ccc(Cl)s1)C(C)(F)F ZINC000306682833 372054238 /nfs/dbraw/zinc/05/42/38/372054238.db2.gz SPBNJHOSSRBMFB-RXMQYKEDSA-N 0 0 238.686 3.876 10 0 BHAERN C[C@@H](C(=O)c1ccc(Cl)s1)C(C)(F)F ZINC000306682834 372054717 /nfs/dbraw/zinc/05/47/17/372054717.db2.gz SPBNJHOSSRBMFB-YFKPBYRVSA-N 0 0 238.686 3.876 10 0 BHAERN CSc1cc(F)c(C(F)F)cc1F ZINC000306700215 372057421 /nfs/dbraw/zinc/05/74/21/372057421.db2.gz JILDCYRTQVQYSI-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN CSc1ccc(Cl)c(OC(F)F)c1 ZINC000306700223 372057439 /nfs/dbraw/zinc/05/74/39/372057439.db2.gz JJTXNUGGQNWQLD-UHFFFAOYSA-N 0 0 224.659 3.663 10 0 BHAERN CCOc1cc(Cl)c(Cl)cc1C ZINC000306700636 350849702 /nfs/dbraw/zinc/84/97/02/350849702.db2.gz JPFVSLVSLLEXQA-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN Cc1cc(Cl)cc(OC(F)(F)F)c1F ZINC000306700676 350850338 /nfs/dbraw/zinc/85/03/38/350850338.db2.gz JUGJOCSZEILSHW-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN Cc1cscc1NCc1ncc(Cl)s1 ZINC000306703110 135377037 /nfs/dbraw/zinc/37/70/37/135377037.db2.gz AZBNETZDRYKMSL-UHFFFAOYSA-N 0 0 244.772 3.779 10 0 BHAERN C/C(=C/Cl)COc1ccc(C)c(C)c1 ZINC000306705087 350853956 /nfs/dbraw/zinc/85/39/56/350853956.db2.gz KDDJSMAVAORSRU-CLFYSBASSA-N 0 0 210.704 3.825 10 0 BHAERN Oc1ccc(Cl)c(Cl)c1OC(F)(F)F ZINC000306705512 386740186 /nfs/dbraw/zinc/74/01/86/386740186.db2.gz OZLJLTUITGGXGN-UHFFFAOYSA-N 0 0 246.999 3.598 10 0 BHAERN FC(F)Oc1c2scnc2ccc1Cl ZINC000306713095 398183447 /nfs/dbraw/zinc/18/34/47/398183447.db2.gz ZYWGCFIUSRROMT-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN CSC(C)(C)C(=O)c1cc(F)ccc1Cl ZINC000306715428 350876938 /nfs/dbraw/zinc/87/69/38/350876938.db2.gz YWHFSXGJKHSJRC-UHFFFAOYSA-N 0 0 246.734 3.803 10 0 BHAERN Fc1cc(Cl)cc(OC(F)(F)F)c1F ZINC000306716381 350878789 /nfs/dbraw/zinc/87/87/89/350878789.db2.gz FYHOKPQZYILGOL-UHFFFAOYSA-N 0 0 232.535 3.517 10 0 BHAERN Nc1cc(Cl)cc(Cl)c1C(F)(F)F ZINC000306719644 353036607 /nfs/dbraw/zinc/03/66/07/353036607.db2.gz LMRQLRCSNVSLTD-UHFFFAOYSA-N 0 0 230.016 3.594 10 0 BHAERN CCCc1nc2c(s1)CCCCCC2 ZINC000306720441 372060358 /nfs/dbraw/zinc/06/03/58/372060358.db2.gz NIHYJWRCTOLOCU-UHFFFAOYSA-N 0 0 209.358 3.755 10 0 BHAERN Clc1ccsc1-c1nccc(Cl)n1 ZINC000306720672 350888018 /nfs/dbraw/zinc/88/80/18/350888018.db2.gz HJGWUKVRNJOGBN-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN CC1(CSc2cccc(O)c2)CCC1 ZINC000306721099 350887846 /nfs/dbraw/zinc/88/78/46/350887846.db2.gz DFUFLFWPICKXFD-UHFFFAOYSA-N 0 0 208.326 3.675 10 0 BHAERN Cc1cc(F)c(Cl)cc1C(F)(F)F ZINC000306721452 350888632 /nfs/dbraw/zinc/88/86/32/350888632.db2.gz OOMRTMNCZQOUNH-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Cc1ccc(OC(F)(F)F)c(F)c1Cl ZINC000306722275 350889390 /nfs/dbraw/zinc/88/93/90/350889390.db2.gz PUHJKBRQYHGROI-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN Cc1c(F)cccc1C(=O)C1CCCC1 ZINC000306723062 350891864 /nfs/dbraw/zinc/89/18/64/350891864.db2.gz QWTLXXLZYFBCBZ-UHFFFAOYSA-N 0 0 206.260 3.507 10 0 BHAERN Clc1cc(Oc2ccccc2)nc(Cl)n1 ZINC000306723155 350892110 /nfs/dbraw/zinc/89/21/10/350892110.db2.gz GNFMCTYPYOXKRU-UHFFFAOYSA-N 0 0 241.077 3.576 10 0 BHAERN Nc1c(Cl)cc(F)cc1C1=CCCC1 ZINC000306724333 350892979 /nfs/dbraw/zinc/89/29/79/350892979.db2.gz IMZYWXPZBDTPFA-UHFFFAOYSA-N 0 0 211.667 3.629 10 0 BHAERN CC(C)(F)C(=O)Cc1cccc(Cl)c1Cl ZINC000306725670 350895902 /nfs/dbraw/zinc/89/59/02/350895902.db2.gz XWZJFFVZGHSNLZ-UHFFFAOYSA-N 0 0 249.112 3.853 10 0 BHAERN Cc1cc(F)c(C(F)(F)F)c(Cl)c1 ZINC000306726355 350896205 /nfs/dbraw/zinc/89/62/05/350896205.db2.gz ZERJXGNZXAJQRC-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN c1cc2ccnc(NCc3ccccc3)c2s1 ZINC000306726564 350896381 /nfs/dbraw/zinc/89/63/81/350896381.db2.gz MEHPOQBOQDDDIH-UHFFFAOYSA-N 0 0 240.331 3.908 10 0 BHAERN Cc1cscc1[C@H](O)CC1(C)CCC1 ZINC000306727564 350898372 /nfs/dbraw/zinc/89/83/72/350898372.db2.gz MSUPLTMKEFPMCW-LLVKDONJSA-N 0 0 210.342 3.670 10 0 BHAERN Cc1cscc1[C@@H](O)CC1(C)CCC1 ZINC000306727565 350898660 /nfs/dbraw/zinc/89/86/60/350898660.db2.gz MSUPLTMKEFPMCW-NSHDSACASA-N 0 0 210.342 3.670 10 0 BHAERN C[C@@H]1CC[C@H](C(=O)CC2(C)CCCC2)C1 ZINC000306728992 350897910 /nfs/dbraw/zinc/89/79/10/350897910.db2.gz OCZQNGNGIGJGGC-NEPJUHHUSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@H]1CC[C@@H](C(=O)CC2(C)CCCC2)C1 ZINC000306728994 350897721 /nfs/dbraw/zinc/89/77/21/350897721.db2.gz OCZQNGNGIGJGGC-NWDGAFQWSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@H]1CC[C@H](C(=O)CC2(C)CCCC2)C1 ZINC000306728996 350897987 /nfs/dbraw/zinc/89/79/87/350897987.db2.gz OCZQNGNGIGJGGC-RYUDHWBXSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@@H]1CC[C@@H](C(=O)CC2(C)CCCC2)C1 ZINC000306728998 350897860 /nfs/dbraw/zinc/89/78/60/350897860.db2.gz OCZQNGNGIGJGGC-VXGBXAGGSA-N 0 0 208.345 3.962 10 0 BHAERN CC(C)C[C@@H](C)Nc1cc(Cl)nc(Cl)n1 ZINC000306729732 350898599 /nfs/dbraw/zinc/89/85/99/350898599.db2.gz OWDXANCBVPWLKR-SSDOTTSWSA-N 0 0 248.157 3.630 10 0 BHAERN CC(C)C[C@H](C)Nc1cc(Cl)nc(Cl)n1 ZINC000306729733 350898332 /nfs/dbraw/zinc/89/83/32/350898332.db2.gz OWDXANCBVPWLKR-ZETCQYMHSA-N 0 0 248.157 3.630 10 0 BHAERN Cc1scc(-c2nnc(Cl)s2)c1C ZINC000306729912 350899571 /nfs/dbraw/zinc/89/95/71/350899571.db2.gz KVYIAUQGFOFBFP-UHFFFAOYSA-N 0 0 230.745 3.537 10 0 BHAERN Clc1sccc1N[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000306729999 350899434 /nfs/dbraw/zinc/89/94/34/350899434.db2.gz KXOBPHPISNYUIL-GJMOJQLCSA-N 0 0 213.733 3.612 10 0 BHAERN Clc1sccc1N[C@@H]1CC[C@H]2C[C@H]21 ZINC000306730001 350899444 /nfs/dbraw/zinc/89/94/44/350899444.db2.gz KXOBPHPISNYUIL-XLPZGREQSA-N 0 0 213.733 3.612 10 0 BHAERN Cc1cc(Cl)cc(F)c1OC(F)(F)F ZINC000306730365 350900420 /nfs/dbraw/zinc/90/04/20/350900420.db2.gz DZLBPQSALVHPDY-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN Cc1c(Cl)ccc(N)c1NCc1ccccc1 ZINC000306731501 350900662 /nfs/dbraw/zinc/90/06/62/350900662.db2.gz GLFNYXCRNBDVDR-UHFFFAOYSA-N 0 0 246.741 3.843 10 0 BHAERN CC1(C)Cc2cccc(Br)c2C1 ZINC000306731605 344422554 /nfs/dbraw/zinc/42/25/54/344422554.db2.gz QVMDSCJJUXFOHN-UHFFFAOYSA-N 0 0 225.129 3.574 10 0 BHAERN Cc1scc(-c2nc(Cl)ns2)c1C ZINC000306736743 350907890 /nfs/dbraw/zinc/90/78/90/350907890.db2.gz QPILCQAZHIGUDV-UHFFFAOYSA-N 0 0 230.745 3.537 10 0 BHAERN CC(C)(C)c1ccc(C(=O)C(C)(C)F)s1 ZINC000306737919 372062747 /nfs/dbraw/zinc/06/27/47/372062747.db2.gz ZTGICAKRKWJTJX-UHFFFAOYSA-N 0 0 228.332 3.976 10 0 BHAERN COCOc1cc(Cl)c(Cl)cc1Cl ZINC000306747070 372064272 /nfs/dbraw/zinc/06/42/72/372064272.db2.gz FDYLIJVLTKJNKG-UHFFFAOYSA-N 0 0 241.501 3.630 10 0 BHAERN O=C(c1ccsc1)c1ccsc1Cl ZINC000306752379 350963505 /nfs/dbraw/zinc/96/35/05/350963505.db2.gz LCRIXEHHJAVRKR-UHFFFAOYSA-N 0 0 228.725 3.694 10 0 BHAERN C[C@@H]1CCC(=O)[C@H](CC2(C)CCCC2)C1 ZINC000306755143 350968068 /nfs/dbraw/zinc/96/80/68/350968068.db2.gz NGQRNPGHGTUJQX-NEPJUHHUSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@H]1CCC(=O)[C@@H](CC2(C)CCCC2)C1 ZINC000306755144 350968051 /nfs/dbraw/zinc/96/80/51/350968051.db2.gz NGQRNPGHGTUJQX-NWDGAFQWSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@H]1CCC(=O)[C@H](CC2(C)CCCC2)C1 ZINC000306755145 350967766 /nfs/dbraw/zinc/96/77/66/350967766.db2.gz NGQRNPGHGTUJQX-RYUDHWBXSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@@H]1CCC(=O)[C@@H](CC2(C)CCCC2)C1 ZINC000306755146 350967439 /nfs/dbraw/zinc/96/74/39/350967439.db2.gz NGQRNPGHGTUJQX-VXGBXAGGSA-N 0 0 208.345 3.962 10 0 BHAERN Cc1c(Cl)cc(F)cc1OC(F)(F)F ZINC000306756043 350968758 /nfs/dbraw/zinc/96/87/58/350968758.db2.gz QVJZSTJHPINJGC-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN Cc1cc(C(=O)C2CC2)cc(C)c1Cl ZINC000306756136 350968574 /nfs/dbraw/zinc/96/85/74/350968574.db2.gz RAKDTTRGKDIHGW-UHFFFAOYSA-N 0 0 208.688 3.550 10 0 BHAERN FC(F)Oc1nc2cc(Cl)ccc2s1 ZINC000306759132 350970905 /nfs/dbraw/zinc/97/09/05/350970905.db2.gz VAHRRPGDVRKRBH-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN Cc1cc(F)c(NC(C)C)cc1Cl ZINC000306761719 353037427 /nfs/dbraw/zinc/03/74/27/353037427.db2.gz SCAQTJLTQSBCQD-UHFFFAOYSA-N 0 0 201.672 3.608 10 0 BHAERN Cc1csc2c1ncc(Cl)c2Cl ZINC000306766160 398192737 /nfs/dbraw/zinc/19/27/37/398192737.db2.gz NYWNWMWHVPSDGZ-UHFFFAOYSA-N 0 0 218.108 3.912 10 0 BHAERN Cc1cc(C)c(SC(F)(F)F)cc1O ZINC000306768195 353037155 /nfs/dbraw/zinc/03/71/55/353037155.db2.gz DICVDXCQCKLSAA-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN Cc1csc(C(=O)CC2(C)CCC2)c1 ZINC000306769880 350999297 /nfs/dbraw/zinc/99/92/97/350999297.db2.gz BJOQPRBNJJUVOY-UHFFFAOYSA-N 0 0 208.326 3.820 10 0 BHAERN Cc1csc(C(=O)c2ccsc2C)c1 ZINC000306769889 350999715 /nfs/dbraw/zinc/99/97/15/350999715.db2.gz BLUQZWJJMMIHCO-UHFFFAOYSA-N 0 0 222.334 3.657 10 0 BHAERN Cc1csc(Cn2c(C)ccc2C)c1 ZINC000306771536 351007923 /nfs/dbraw/zinc/00/79/23/351007923.db2.gz CLTWOBOWPMQEOR-UHFFFAOYSA-N 0 0 205.326 3.523 10 0 BHAERN Cc1cc(F)c(SC(F)(F)F)c(F)c1 ZINC000306774786 351015955 /nfs/dbraw/zinc/01/59/55/351015955.db2.gz KQNKEPPBAKQKOF-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN C[C@@H](O)C[C@@H](C)c1ccc(Cl)cc1Cl ZINC000306780105 398195177 /nfs/dbraw/zinc/19/51/77/398195177.db2.gz BRVMBKHLSHSAIT-HTQZYQBOSA-N 0 0 233.138 3.868 10 0 BHAERN C[C@@H](O)C[C@H](C)c1ccc(Cl)cc1Cl ZINC000306780109 398195119 /nfs/dbraw/zinc/19/51/19/398195119.db2.gz BRVMBKHLSHSAIT-JGVFFNPUSA-N 0 0 233.138 3.868 10 0 BHAERN C[C@H](C[C@H](C)O)c1ccc(Cl)cc1Cl ZINC000306780112 398195221 /nfs/dbraw/zinc/19/52/21/398195221.db2.gz BRVMBKHLSHSAIT-SFYZADRCSA-N 0 0 233.138 3.868 10 0 BHAERN C[C@H](O)C[C@H](C)c1ccc(Cl)cc1Cl ZINC000306780117 398194981 /nfs/dbraw/zinc/19/49/81/398194981.db2.gz BRVMBKHLSHSAIT-YUMQZZPRSA-N 0 0 233.138 3.868 10 0 BHAERN CCCNc1cc(Cl)cc(Br)c1 ZINC000306780699 385748765 /nfs/dbraw/zinc/74/87/65/385748765.db2.gz DHPMDMSZDZPRAU-UHFFFAOYSA-N 0 0 248.551 3.924 10 0 BHAERN CCCCc1csc(Br)c1 ZINC000306789988 353038374 /nfs/dbraw/zinc/03/83/74/353038374.db2.gz URYLCIPPKRQTEJ-UHFFFAOYSA-N 0 0 219.147 3.853 10 0 BHAERN CSCC1CCC(n2cccc2)CC1 ZINC000306792329 353038458 /nfs/dbraw/zinc/03/84/58/353038458.db2.gz DPKPLNBXPMZPPX-UHFFFAOYSA-N 0 0 209.358 3.582 10 0 BHAERN CC(=O)c1c(F)c(Cl)c(F)c(Cl)c1F ZINC000306793071 351041852 /nfs/dbraw/zinc/04/18/52/351041852.db2.gz APGHLMRHKCSHOV-UHFFFAOYSA-N 0 0 243.011 3.613 10 0 BHAERN CC(C)C[C@@H]1C[C@H]1Nc1nc(Cl)cs1 ZINC000306793098 351042014 /nfs/dbraw/zinc/04/20/14/351042014.db2.gz DZLQKWLEBDNAEB-HTQZYQBOSA-N 0 0 230.764 3.643 10 0 BHAERN CC(C)C[C@H]1C[C@H]1Nc1nc(Cl)cs1 ZINC000306793101 351041839 /nfs/dbraw/zinc/04/18/39/351041839.db2.gz DZLQKWLEBDNAEB-JGVFFNPUSA-N 0 0 230.764 3.643 10 0 BHAERN CC(C)C[C@@H]1C[C@@H]1Nc1nc(Cl)cs1 ZINC000306793106 351042165 /nfs/dbraw/zinc/04/21/65/351042165.db2.gz DZLQKWLEBDNAEB-SFYZADRCSA-N 0 0 230.764 3.643 10 0 BHAERN CC(C)C[C@H]1C[C@@H]1Nc1nc(Cl)cs1 ZINC000306793110 351042021 /nfs/dbraw/zinc/04/20/21/351042021.db2.gz DZLQKWLEBDNAEB-YUMQZZPRSA-N 0 0 230.764 3.643 10 0 BHAERN CCc1cc(C)sc1C(=O)c1cccs1 ZINC000306793629 351042691 /nfs/dbraw/zinc/04/26/91/351042691.db2.gz FEAJXVYARUIZOB-UHFFFAOYSA-N 0 0 236.361 3.911 10 0 BHAERN C[C@@H]1CCC[C@H](C[C@@H]2CCCCC2=O)C1 ZINC000306795753 351043374 /nfs/dbraw/zinc/04/33/74/351043374.db2.gz GRKHYRLIHMGKLL-AGIUHOORSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@@H]1CCC[C@H](C[C@H]2CCCCC2=O)C1 ZINC000306795754 351043555 /nfs/dbraw/zinc/04/35/55/351043555.db2.gz GRKHYRLIHMGKLL-FRRDWIJNSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@@H]1CCC[C@@H](C[C@H]2CCCCC2=O)C1 ZINC000306795755 351043534 /nfs/dbraw/zinc/04/35/34/351043534.db2.gz GRKHYRLIHMGKLL-JHJVBQTASA-N 0 0 208.345 3.962 10 0 BHAERN C[C@@H]1CCC[C@@H](C[C@@H]2CCCCC2=O)C1 ZINC000306795756 351043857 /nfs/dbraw/zinc/04/38/57/351043857.db2.gz GRKHYRLIHMGKLL-UPJWGTAASA-N 0 0 208.345 3.962 10 0 BHAERN Cc1cocc1C(=O)C1CCCCCC1 ZINC000306795969 351048751 /nfs/dbraw/zinc/04/87/51/351048751.db2.gz HEQZVVORCFIWFV-UHFFFAOYSA-N 0 0 206.285 3.741 10 0 BHAERN Clc1ccc(-c2nsc(Cl)n2)s1 ZINC000306796118 351046998 /nfs/dbraw/zinc/04/69/98/351046998.db2.gz JEHZODIPUAOIRG-UHFFFAOYSA-N 0 0 237.136 3.573 10 0 BHAERN CC(C)SCc1coc(Br)c1 ZINC000306796321 351047512 /nfs/dbraw/zinc/04/75/12/351047512.db2.gz HOQXLJRYWAXDAM-UHFFFAOYSA-N 0 0 235.146 3.684 10 0 BHAERN Clc1cc(-c2nc(Cl)ns2)cs1 ZINC000306798579 398202267 /nfs/dbraw/zinc/20/22/67/398202267.db2.gz LZWYUFXCWHWUAY-UHFFFAOYSA-N 0 0 237.136 3.573 10 0 BHAERN Oc1cc(Cl)c(C(F)F)c(Cl)c1 ZINC000306799015 351054480 /nfs/dbraw/zinc/05/44/80/351054480.db2.gz DXUVRRHDKCFARD-UHFFFAOYSA-N 0 0 213.010 3.637 10 0 BHAERN Cc1sc(Cl)c(N)c1C1CCCC1 ZINC000306799954 351054434 /nfs/dbraw/zinc/05/44/34/351054434.db2.gz NJWYEKUHXUBZLW-UHFFFAOYSA-N 0 0 215.749 3.950 10 0 BHAERN Cc1ccc(F)c(SC(F)(F)F)c1F ZINC000306802917 351055364 /nfs/dbraw/zinc/05/53/64/351055364.db2.gz UTUNSPVNVFBKAZ-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN CCc1cc(C)sc1C(=O)c1ccsc1 ZINC000306807604 351060524 /nfs/dbraw/zinc/06/05/24/351060524.db2.gz MUYXWEUSCCIHSC-UHFFFAOYSA-N 0 0 236.361 3.911 10 0 BHAERN CC(=O)c1ccc(F)cc1C1=CCCC1 ZINC000306807912 351060740 /nfs/dbraw/zinc/06/07/40/351060740.db2.gz NLLRERUTYUPQJV-UHFFFAOYSA-N 0 0 204.244 3.596 10 0 BHAERN Clc1csc(N2CCCC23CCCC3)n1 ZINC000306808302 351061464 /nfs/dbraw/zinc/06/14/64/351061464.db2.gz OOTFCOFJKKSDQY-UHFFFAOYSA-N 0 0 242.775 3.710 10 0 BHAERN Cc1cocc1C(=O)[C@H]1CCCC1(C)C ZINC000306808304 351061502 /nfs/dbraw/zinc/06/15/02/351061502.db2.gz OOTGHYWMDJNIIO-LLVKDONJSA-N 0 0 206.285 3.597 10 0 BHAERN Cc1cocc1C(=O)[C@@H]1CCCC1(C)C ZINC000306808305 351061293 /nfs/dbraw/zinc/06/12/93/351061293.db2.gz OOTGHYWMDJNIIO-NSHDSACASA-N 0 0 206.285 3.597 10 0 BHAERN CCC(C)(CC)Nc1cc(Cl)nc(Cl)n1 ZINC000306809467 351062337 /nfs/dbraw/zinc/06/23/37/351062337.db2.gz SCCITZQQMXUWOD-UHFFFAOYSA-N 0 0 248.157 3.774 10 0 BHAERN Cc1ccoc1C(=O)CC1(C)CCCC1 ZINC000306811188 351077484 /nfs/dbraw/zinc/07/74/84/351077484.db2.gz WFFKRXRHNMJVHX-UHFFFAOYSA-N 0 0 206.285 3.741 10 0 BHAERN CC1(CC(=O)[C@H]2CCCC2(C)C)CCC1 ZINC000306811765 351080420 /nfs/dbraw/zinc/08/04/20/351080420.db2.gz XPSXNLRUDLZADB-LLVKDONJSA-N 0 0 208.345 3.962 10 0 BHAERN CC1(CC(=O)[C@@H]2CCCC2(C)C)CCC1 ZINC000306811766 351080352 /nfs/dbraw/zinc/08/03/52/351080352.db2.gz XPSXNLRUDLZADB-NSHDSACASA-N 0 0 208.345 3.962 10 0 BHAERN Cc1c(Cl)ccc([C@H]2CCCC2=O)c1F ZINC000306811790 351080437 /nfs/dbraw/zinc/08/04/37/351080437.db2.gz XRWYMNYQAJCZNW-MRVPVSSYSA-N 0 0 226.678 3.624 10 0 BHAERN Cc1c(Cl)ccc([C@@H]2CCCC2=O)c1F ZINC000306811791 351080064 /nfs/dbraw/zinc/08/00/64/351080064.db2.gz XRWYMNYQAJCZNW-QMMMGPOBSA-N 0 0 226.678 3.624 10 0 BHAERN Clc1ccsc1-c1cnc(Cl)cn1 ZINC000306813912 351083573 /nfs/dbraw/zinc/08/35/73/351083573.db2.gz BKJDVAVRSLSNNL-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN CC(=O)c1sc(-c2ccsc2C)nc1C ZINC000306815116 351083005 /nfs/dbraw/zinc/08/30/05/351083005.db2.gz CXLFXDBDGPMRNX-UHFFFAOYSA-N 0 0 237.349 3.691 10 0 BHAERN Oc1cc(Cl)c(Cl)c(C(F)(F)F)c1 ZINC000306818760 351086157 /nfs/dbraw/zinc/08/61/57/351086157.db2.gz KGQAQXNYVDRIEF-UHFFFAOYSA-N 0 0 231.000 3.718 10 0 BHAERN CCOc1ccc(Cl)c(Cl)c1F ZINC000306819636 351087714 /nfs/dbraw/zinc/08/77/14/351087714.db2.gz LLQFXNVQDYMIBK-UHFFFAOYSA-N 0 0 209.047 3.531 10 0 BHAERN CSc1cc(C(F)F)cc(F)c1F ZINC000306820212 351090266 /nfs/dbraw/zinc/09/02/66/351090266.db2.gz MMSRGVFJOHBUOE-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN Cc1cc(Cl)nc([C@@H](C)C(C)(C)C)n1 ZINC000306821198 351127321 /nfs/dbraw/zinc/12/73/21/351127321.db2.gz JWIKYMLMAAGHTN-MRVPVSSYSA-N 0 0 212.724 3.588 10 0 BHAERN Cc1cc(Cl)nc([C@H](C)C(C)(C)C)n1 ZINC000306821200 351127215 /nfs/dbraw/zinc/12/72/15/351127215.db2.gz JWIKYMLMAAGHTN-QMMMGPOBSA-N 0 0 212.724 3.588 10 0 BHAERN O[C@H](c1sccc1Cl)[C@@H]1CCCSC1 ZINC000306821208 351126982 /nfs/dbraw/zinc/12/69/82/351126982.db2.gz JXZJNFDBASSRMY-APPZFPTMSA-N 0 0 248.800 3.578 10 0 BHAERN O[C@H](c1sccc1Cl)[C@H]1CCCSC1 ZINC000306821209 351127561 /nfs/dbraw/zinc/12/75/61/351127561.db2.gz JXZJNFDBASSRMY-CBAPKCEASA-N 0 0 248.800 3.578 10 0 BHAERN O[C@@H](c1sccc1Cl)[C@H]1CCCSC1 ZINC000306821210 351127615 /nfs/dbraw/zinc/12/76/15/351127615.db2.gz JXZJNFDBASSRMY-IONNQARKSA-N 0 0 248.800 3.578 10 0 BHAERN O[C@@H](c1sccc1Cl)[C@@H]1CCCSC1 ZINC000306821211 351127366 /nfs/dbraw/zinc/12/73/66/351127366.db2.gz JXZJNFDBASSRMY-VXNVDRBHSA-N 0 0 248.800 3.578 10 0 BHAERN C[C@@]1(CSc2cc(Cl)cc(Cl)c2)CO1 ZINC000306822284 351129022 /nfs/dbraw/zinc/12/90/22/351129022.db2.gz MYKSQFIMJLJUDB-JTQLQIEISA-N 0 0 249.162 3.874 10 0 BHAERN C[C@]1(CSc2cc(Cl)cc(Cl)c2)CO1 ZINC000306822285 351129103 /nfs/dbraw/zinc/12/91/03/351129103.db2.gz MYKSQFIMJLJUDB-SNVBAGLBSA-N 0 0 249.162 3.874 10 0 BHAERN Cc1c(F)cc(Cl)c2c1[C@@H](C)CCN2 ZINC000306822610 351129101 /nfs/dbraw/zinc/12/91/01/351129101.db2.gz NKWUYASYEKWQKU-LURJTMIESA-N 0 0 213.683 3.707 10 0 BHAERN Cc1c(F)cc(Cl)c2c1[C@H](C)CCN2 ZINC000306822611 351129106 /nfs/dbraw/zinc/12/91/06/351129106.db2.gz NKWUYASYEKWQKU-ZCFIWIBFSA-N 0 0 213.683 3.707 10 0 BHAERN Cc1cc(F)c(Cl)c(OC(F)(F)F)c1 ZINC000306823259 351130771 /nfs/dbraw/zinc/13/07/71/351130771.db2.gz SMVONBYCKQPJBZ-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN O[C@@H]1CCC[C@H]1c1ccc(Cl)cc1Cl ZINC000306823649 351129966 /nfs/dbraw/zinc/12/99/66/351129966.db2.gz RDNLIYCIGLQECZ-GXSJLCMTSA-N 0 0 231.122 3.622 10 0 BHAERN O[C@H]1CCC[C@@H]1c1ccc(Cl)cc1Cl ZINC000306823650 351129519 /nfs/dbraw/zinc/12/95/19/351129519.db2.gz RDNLIYCIGLQECZ-KOLCDFICSA-N 0 0 231.122 3.622 10 0 BHAERN O[C@@H]1CCC[C@@H]1c1ccc(Cl)cc1Cl ZINC000306823651 351130001 /nfs/dbraw/zinc/13/00/01/351130001.db2.gz RDNLIYCIGLQECZ-MWLCHTKSSA-N 0 0 231.122 3.622 10 0 BHAERN O[C@H]1CCC[C@H]1c1ccc(Cl)cc1Cl ZINC000306823652 353041497 /nfs/dbraw/zinc/04/14/97/353041497.db2.gz RDNLIYCIGLQECZ-ONGXEEELSA-N 0 0 231.122 3.622 10 0 BHAERN CCOc1cc(Cl)cc(Cl)c1C ZINC000306831349 351146052 /nfs/dbraw/zinc/14/60/52/351146052.db2.gz KJJFJSOGNUZLEG-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN Cc1cc(O)c(SC(F)(F)F)cc1C ZINC000306832407 351144636 /nfs/dbraw/zinc/14/46/36/351144636.db2.gz MBOMNEKEBZDHAI-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN CCc1sc(=S)[nH]c1[C@@H]1CC1(C)C ZINC000306837067 353042329 /nfs/dbraw/zinc/04/23/29/353042329.db2.gz UUGUJMSTOWZCNO-LURJTMIESA-N 0 0 213.371 3.508 10 0 BHAERN CCc1sc(=S)[nH]c1[C@H]1CC1(C)C ZINC000306837068 351147742 /nfs/dbraw/zinc/14/77/42/351147742.db2.gz UUGUJMSTOWZCNO-ZCFIWIBFSA-N 0 0 213.371 3.508 10 0 BHAERN CCOc1ccc(Cl)c(Cl)c1C ZINC000306838186 351148451 /nfs/dbraw/zinc/14/84/51/351148451.db2.gz WSYFHLNUPIJVRQ-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN C/C=C/CNc1cc(F)cc(Br)c1 ZINC000306838917 351149733 /nfs/dbraw/zinc/14/97/33/351149733.db2.gz XYFNDZRBIACHSW-NSCUHMNNSA-N 0 0 244.107 3.576 10 0 BHAERN C[C@H]1C[C@H](Nc2ccsc2Cl)CS1 ZINC000306842692 351156654 /nfs/dbraw/zinc/15/66/54/351156654.db2.gz FWYRFLCACICILU-BQBZGAKWSA-N 0 0 233.789 3.707 10 0 BHAERN C[C@H]1C[C@@H](Nc2ccsc2Cl)CS1 ZINC000306842701 351156571 /nfs/dbraw/zinc/15/65/71/351156571.db2.gz FWYRFLCACICILU-NKWVEPMBSA-N 0 0 233.789 3.707 10 0 BHAERN C[C@@H]1C[C@@H](Nc2ccsc2Cl)CS1 ZINC000306842711 351156850 /nfs/dbraw/zinc/15/68/50/351156850.db2.gz FWYRFLCACICILU-RNFRBKRXSA-N 0 0 233.789 3.707 10 0 BHAERN C[C@@H]1C[C@H](Nc2ccsc2Cl)CS1 ZINC000306842721 351156935 /nfs/dbraw/zinc/15/69/35/351156935.db2.gz FWYRFLCACICILU-RQJHMYQMSA-N 0 0 233.789 3.707 10 0 BHAERN Clc1ccc(N[C@@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC000306845860 351157263 /nfs/dbraw/zinc/15/72/63/351157263.db2.gz JFOUXWIMINGEGT-JFUSQASVSA-N 0 0 207.704 3.550 10 0 BHAERN Clc1ccc(N[C@H]2CC[C@@H]3C[C@@H]32)cc1 ZINC000306845861 351157283 /nfs/dbraw/zinc/15/72/83/351157283.db2.gz JFOUXWIMINGEGT-ZHAHWJHGSA-N 0 0 207.704 3.550 10 0 BHAERN Cc1cc(SC(F)(F)F)c(F)cc1F ZINC000306847242 386034454 /nfs/dbraw/zinc/03/44/54/386034454.db2.gz JPIBTPVGRQHCJV-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN C=Cc1ccc(C(=O)C(Cl)(Cl)Cl)cc1 ZINC000306849745 351159144 /nfs/dbraw/zinc/15/91/44/351159144.db2.gz OHNDSHKOUOZBGV-UHFFFAOYSA-N 0 0 249.524 3.883 10 0 BHAERN CSc1ccc(F)c(Cl)c1Cl ZINC000306850742 351174249 /nfs/dbraw/zinc/17/42/49/351174249.db2.gz PGKZFBCCPXBBNW-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN Cc1cc(F)c(SC(F)(F)F)cc1F ZINC000306867279 397924137 /nfs/dbraw/zinc/92/41/37/397924137.db2.gz PAPZMYMMTGFBCQ-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN C[C@H](Nc1ccsc1Cl)C(F)(F)F ZINC000306871253 372073424 /nfs/dbraw/zinc/07/34/24/372073424.db2.gz WVCVDCYWFJMGHE-BYPYZUCNSA-N 0 0 229.654 3.764 10 0 BHAERN C[C@@H](Nc1ccsc1Cl)C(F)(F)F ZINC000306871254 372073670 /nfs/dbraw/zinc/07/36/70/372073670.db2.gz WVCVDCYWFJMGHE-SCSAIBSYSA-N 0 0 229.654 3.764 10 0 BHAERN CCc1c(F)c(Cl)c(F)c(Cl)c1F ZINC000306876541 351270473 /nfs/dbraw/zinc/27/04/73/351270473.db2.gz CVMMEHIPQDBVCT-UHFFFAOYSA-N 0 0 229.028 3.973 10 0 BHAERN CCC[C@@H](O)c1ccc2sccc2c1 ZINC000306879294 351272781 /nfs/dbraw/zinc/27/27/81/351272781.db2.gz JLKVDPJOXPBBCX-LLVKDONJSA-N 0 0 206.310 3.735 10 0 BHAERN CCC[C@H](O)c1ccc2sccc2c1 ZINC000306879295 351272747 /nfs/dbraw/zinc/27/27/47/351272747.db2.gz JLKVDPJOXPBBCX-NSHDSACASA-N 0 0 206.310 3.735 10 0 BHAERN O=C(c1cccs1)[C@H]1CC2CCC1CC2 ZINC000306879941 351271372 /nfs/dbraw/zinc/27/13/72/351271372.db2.gz KGEQZAJPAZJMOS-ILDUYXDCSA-N 0 0 220.337 3.757 10 0 BHAERN O=C(c1cccs1)[C@@H]1CC2CCC1CC2 ZINC000306879942 351271155 /nfs/dbraw/zinc/27/11/55/351271155.db2.gz KGEQZAJPAZJMOS-VQXHTEKXSA-N 0 0 220.337 3.757 10 0 BHAERN CSC[C@@H](C)c1cccc(Cl)c1 ZINC000306880563 351273876 /nfs/dbraw/zinc/27/38/76/351273876.db2.gz KUJKCNDZFARUFT-MRVPVSSYSA-N 0 0 200.734 3.807 10 0 BHAERN CSC[C@H](C)c1cccc(Cl)c1 ZINC000306880564 351274075 /nfs/dbraw/zinc/27/40/75/351274075.db2.gz KUJKCNDZFARUFT-QMMMGPOBSA-N 0 0 200.734 3.807 10 0 BHAERN FC(F)CNc1cccc2ccsc21 ZINC000306881026 351278200 /nfs/dbraw/zinc/27/82/00/351278200.db2.gz LLMTVDWEUDJZTB-UHFFFAOYSA-N 0 0 213.252 3.578 10 0 BHAERN Clc1csc(N[C@@H]2CC23CCCCC3)n1 ZINC000306883519 351287218 /nfs/dbraw/zinc/28/72/18/351287218.db2.gz PACDJRDIXUYSKA-MRVPVSSYSA-N 0 0 242.775 3.931 10 0 BHAERN Clc1csc(N[C@H]2CC23CCCCC3)n1 ZINC000306883520 351287350 /nfs/dbraw/zinc/28/73/50/351287350.db2.gz PACDJRDIXUYSKA-QMMMGPOBSA-N 0 0 242.775 3.931 10 0 BHAERN Cc1sc(Br)nc1[C@@H]1CC1(C)C ZINC000306890011 372076228 /nfs/dbraw/zinc/07/62/28/372076228.db2.gz USJDYXQGUACTFM-LURJTMIESA-N 0 0 246.173 3.728 10 0 BHAERN Cc1sc(Br)nc1[C@H]1CC1(C)C ZINC000306890012 372076077 /nfs/dbraw/zinc/07/60/77/372076077.db2.gz USJDYXQGUACTFM-ZCFIWIBFSA-N 0 0 246.173 3.728 10 0 BHAERN CSc1cc(Cl)cc(F)c1Cl ZINC000306892508 386518247 /nfs/dbraw/zinc/51/82/47/386518247.db2.gz HEDQMBQMTMLINQ-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN CC1(C)C(=O)C[C@@H]1c1c(F)cccc1Cl ZINC000306893375 397945464 /nfs/dbraw/zinc/94/54/64/397945464.db2.gz JKMPJTYCMQZLIV-SSDOTTSWSA-N 0 0 226.678 3.562 10 0 BHAERN CC1(C)C(=O)C[C@H]1c1c(F)cccc1Cl ZINC000306893376 397945424 /nfs/dbraw/zinc/94/54/24/397945424.db2.gz JKMPJTYCMQZLIV-ZETCQYMHSA-N 0 0 226.678 3.562 10 0 BHAERN Cc1cc(C(F)(F)F)c(F)cc1Cl ZINC000306899412 351310592 /nfs/dbraw/zinc/31/05/92/351310592.db2.gz JNEHSUVGZLWSHC-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN FC(F)Oc1cc(Cl)cc2ncsc21 ZINC000306900864 351315532 /nfs/dbraw/zinc/31/55/32/351315532.db2.gz MWDRMTVHKVBKGU-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN CSc1ccc(Cl)c(F)c1Cl ZINC000306901241 351315428 /nfs/dbraw/zinc/31/54/28/351315428.db2.gz NMLDXDHLJUIDFV-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN FC(F)(F)c1cccc2nc(Cl)oc21 ZINC000306902173 344475649 /nfs/dbraw/zinc/47/56/49/344475649.db2.gz PSFIIJPPRKWDTI-UHFFFAOYSA-N 0 0 221.565 3.500 10 0 BHAERN CSc1c(F)cc(C(F)F)cc1F ZINC000306905197 353045266 /nfs/dbraw/zinc/04/52/66/353045266.db2.gz WJGMBNFGCATETG-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN Cc1c(Cl)cc(F)cc1C(F)(F)F ZINC000306907004 351320703 /nfs/dbraw/zinc/32/07/03/351320703.db2.gz CMDRPQSHGIIEBU-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN Clc1nc(COCc2ccccc2)cs1 ZINC000306910608 351322880 /nfs/dbraw/zinc/32/28/80/351322880.db2.gz JBONUCSWZMCYGL-UHFFFAOYSA-N 0 0 239.727 3.513 10 0 BHAERN FC(F)Oc1nc2c(cccc2Cl)s1 ZINC000306912854 351323725 /nfs/dbraw/zinc/32/37/25/351323725.db2.gz NSRQKBAUCGPHBM-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN Cc1cccc(OCc2csc(Cl)n2)c1 ZINC000306913006 351324083 /nfs/dbraw/zinc/32/40/83/351324083.db2.gz SOTQLVHDPJKJOQ-UHFFFAOYSA-N 0 0 239.727 3.684 10 0 BHAERN Cc1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000306913635 372077735 /nfs/dbraw/zinc/07/77/35/372077735.db2.gz PSYLEKNKMUAPRO-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN Nc1ccc(Cl)c(C(F)(F)F)c1Cl ZINC000306920879 351341553 /nfs/dbraw/zinc/34/15/53/351341553.db2.gz OCOFCJCIFXVDJI-UHFFFAOYSA-N 0 0 230.016 3.594 10 0 BHAERN Cc1cc(F)c(OC(F)(F)F)c(Cl)c1 ZINC000306920984 351341729 /nfs/dbraw/zinc/34/17/29/351341729.db2.gz OQLHXCDLJXTUFJ-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN Nc1c(Cl)ccc(Cl)c1C(F)(F)F ZINC000306921832 386707144 /nfs/dbraw/zinc/70/71/44/386707144.db2.gz SBXLKOAQSOZMIN-UHFFFAOYSA-N 0 0 230.016 3.594 10 0 BHAERN CC(=O)c1c(F)c(Cl)c(F)c(F)c1Cl ZINC000306923225 386710024 /nfs/dbraw/zinc/71/00/24/386710024.db2.gz ZBSBMXSTZVBWRS-UHFFFAOYSA-N 0 0 243.011 3.613 10 0 BHAERN CC(C)=CCNc1ccsc1Cl ZINC000306924749 351343175 /nfs/dbraw/zinc/34/31/75/351343175.db2.gz KMYBFVZUFJKDTB-UHFFFAOYSA-N 0 0 201.722 3.780 10 0 BHAERN CC(C)[C@@H](C)Nc1ccsc1Cl ZINC000306925670 386714342 /nfs/dbraw/zinc/71/43/42/386714342.db2.gz NEKQAVNHCBEZFT-SSDOTTSWSA-N 0 0 203.738 3.858 10 0 BHAERN CC(C)[C@H](C)Nc1ccsc1Cl ZINC000306925671 386715178 /nfs/dbraw/zinc/71/51/78/386715178.db2.gz NEKQAVNHCBEZFT-ZETCQYMHSA-N 0 0 203.738 3.858 10 0 BHAERN Cc1ccc(Cl)c(C(=O)C(F)(F)Cl)c1 ZINC000306928057 351344336 /nfs/dbraw/zinc/34/43/36/351344336.db2.gz WOZGSEOZZDVMKL-UHFFFAOYSA-N 0 0 239.048 3.663 10 0 BHAERN Fc1cc2nc(Cl)cc(Cl)c2cc1F ZINC000306929516 229397647 /nfs/dbraw/zinc/39/76/47/229397647.db2.gz BISFGPZRAMDVAK-UHFFFAOYSA-N 0 0 234.032 3.820 10 0 BHAERN Cc1ccc(SC(F)(F)F)c(C)c1O ZINC000306930409 386750228 /nfs/dbraw/zinc/75/02/28/386750228.db2.gz BWRHBWPQRAWRQP-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN CCOc1cc(C)cc(Cl)c1Cl ZINC000306931595 351357218 /nfs/dbraw/zinc/35/72/18/351357218.db2.gz CIVXMSGZFCTBAI-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN CCOc1c(Cl)ccc(C)c1Cl ZINC000306934189 351358920 /nfs/dbraw/zinc/35/89/20/351358920.db2.gz GTBAWHAFSIIFQW-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN CCOc1cc(C)c(Cl)c(Cl)c1 ZINC000306937088 351361003 /nfs/dbraw/zinc/36/10/03/351361003.db2.gz KKRKYZJZXVGVTJ-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN Cc1cc(C(=O)C(C)(C)F)c(Cl)cc1F ZINC000306939748 353046500 /nfs/dbraw/zinc/04/65/00/353046500.db2.gz KOCKJXYIFPFWRP-UHFFFAOYSA-N 0 0 232.657 3.718 10 0 BHAERN FC(F)Oc1cc2scnc2cc1Cl ZINC000306940395 372080875 /nfs/dbraw/zinc/08/08/75/372080875.db2.gz PBDZSDVYRFCYHX-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN Clc1ccc(-c2cnc(Cl)cn2)s1 ZINC000306944698 351372426 /nfs/dbraw/zinc/37/24/26/351372426.db2.gz YRRPRWVUHBVHJE-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN CCc1sc(NCc2ccccc2)nc1C ZINC000306947482 372080394 /nfs/dbraw/zinc/08/03/94/372080394.db2.gz PSWGOYWAYANKCS-UHFFFAOYSA-N 0 0 232.352 3.626 10 0 BHAERN CC(Cl)(Cl)c1ccc2ccccc2n1 ZINC000306958078 344639894 /nfs/dbraw/zinc/63/98/94/344639894.db2.gz UZEAWZBAGBHUTC-UHFFFAOYSA-N 0 0 226.106 3.885 10 0 BHAERN CCOc1c(F)c(Cl)c(F)c(F)c1Cl ZINC000306966164 351385747 /nfs/dbraw/zinc/38/57/47/351385747.db2.gz FLIHOCVROCGUDT-UHFFFAOYSA-N 0 0 245.027 3.809 10 0 BHAERN Cc1sccc1-c1nc(C)c(F)c(Cl)n1 ZINC000306968550 351387225 /nfs/dbraw/zinc/38/72/25/351387225.db2.gz HVZATWQDUGCLJX-UHFFFAOYSA-N 0 0 242.706 3.614 10 0 BHAERN CC(C)c1cc(Cl)nc(CC2CCC2)n1 ZINC000306970070 351386748 /nfs/dbraw/zinc/38/67/48/351386748.db2.gz QMQNINUJTRSGBY-UHFFFAOYSA-N 0 0 224.735 3.596 10 0 BHAERN Cc1cc(Cl)c(OC(F)(F)F)cc1F ZINC000306983041 353048922 /nfs/dbraw/zinc/04/89/22/353048922.db2.gz SKFZNNULLVSFFR-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN CC[C@@H]1C[C@H]1C(=O)c1ccc(Cl)cc1F ZINC000306983756 351408016 /nfs/dbraw/zinc/40/80/16/351408016.db2.gz UGIWAUUIFMKGGC-GMSGAONNSA-N 0 0 226.678 3.708 10 0 BHAERN CC[C@H]1C[C@H]1C(=O)c1ccc(Cl)cc1F ZINC000306983871 351407509 /nfs/dbraw/zinc/40/75/09/351407509.db2.gz UGIWAUUIFMKGGC-OIBJUYFYSA-N 0 0 226.678 3.708 10 0 BHAERN CC[C@@H]1C[C@@H]1C(=O)c1ccc(Cl)cc1F ZINC000306983872 351407632 /nfs/dbraw/zinc/40/76/32/351407632.db2.gz UGIWAUUIFMKGGC-XCBNKYQSSA-N 0 0 226.678 3.708 10 0 BHAERN CC[C@H]1C[C@@H]1C(=O)c1ccc(Cl)cc1F ZINC000306983873 351407307 /nfs/dbraw/zinc/40/73/07/351407307.db2.gz UGIWAUUIFMKGGC-XVKPBYJWSA-N 0 0 226.678 3.708 10 0 BHAERN Cc1cc(C(O)(C(C)C)C(C)C)cs1 ZINC000306989237 351405431 /nfs/dbraw/zinc/40/54/31/351405431.db2.gz RWGXQCDRXPCCQB-UHFFFAOYSA-N 0 0 212.358 3.556 10 0 BHAERN Cc1nc(NCC(C)C)sc1C(C)C ZINC000306990111 351406539 /nfs/dbraw/zinc/40/65/39/351406539.db2.gz SUOQMKZGUQYDOP-UHFFFAOYSA-N 0 0 212.362 3.643 10 0 BHAERN CCCc1cc(Cl)c(Cl)cc1N ZINC000306993535 353049037 /nfs/dbraw/zinc/04/90/37/353049037.db2.gz ZRMMETSURYAHFB-UHFFFAOYSA-N 0 0 204.100 3.528 10 0 BHAERN CC(C)c1ccccc1C(=O)C(F)(F)Cl ZINC000306994933 351410130 /nfs/dbraw/zinc/41/01/30/351410130.db2.gz OSRAKZQKDUBMKU-UHFFFAOYSA-N 0 0 232.657 3.824 10 0 BHAERN CSc1cc(Cl)c(Cl)cc1F ZINC000306998263 351412432 /nfs/dbraw/zinc/41/24/32/351412432.db2.gz BKLCNHGNMVFZLC-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN Cc1cc(Cl)c(F)cc1OC(F)(F)F ZINC000307008391 351416407 /nfs/dbraw/zinc/41/64/07/351416407.db2.gz MIOHNCFZGZVRMQ-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN Clc1sccc1Nc1nccnc1Cl ZINC000307009882 351417298 /nfs/dbraw/zinc/41/72/98/351417298.db2.gz IIVVDAGIPYXJHE-UHFFFAOYSA-N 0 0 246.122 3.589 10 0 BHAERN CSc1cccc(OC(F)F)c1Cl ZINC000307011991 351418958 /nfs/dbraw/zinc/41/89/58/351418958.db2.gz PJPUUWYEYXGSBP-UHFFFAOYSA-N 0 0 224.659 3.663 10 0 BHAERN Cc1c(F)ccc(SC(F)(F)F)c1F ZINC000307012173 351419390 /nfs/dbraw/zinc/41/93/90/351419390.db2.gz LZMNTAAPXUKTJO-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN Clc1sccc1N[C@H]1CC[C@@H]2C[C@@H]21 ZINC000307012550 351419994 /nfs/dbraw/zinc/41/99/94/351419994.db2.gz KXOBPHPISNYUIL-CSMHCCOUSA-N 0 0 213.733 3.612 10 0 BHAERN Nc1cccc(Nc2ccsc2Cl)c1 ZINC000307012652 351420302 /nfs/dbraw/zinc/42/03/02/351420302.db2.gz LCLKUGGUEIIMAO-UHFFFAOYSA-N 0 0 224.716 3.727 10 0 BHAERN CC(C)(C)C(C)(C)CNc1nccs1 ZINC000307013770 351418212 /nfs/dbraw/zinc/41/82/12/351418212.db2.gz RWMWYHFORKBVJW-UHFFFAOYSA-N 0 0 212.362 3.627 10 0 BHAERN Clc1sccc1N[C@@H]1C=CCCC1 ZINC000307013818 351419379 /nfs/dbraw/zinc/41/93/79/351419379.db2.gz MCIAZGCMAQCVBL-MRVPVSSYSA-N 0 0 213.733 3.922 10 0 BHAERN Clc1sccc1N[C@H]1C=CCCC1 ZINC000307013819 351419467 /nfs/dbraw/zinc/41/94/67/351419467.db2.gz MCIAZGCMAQCVBL-QMMMGPOBSA-N 0 0 213.733 3.922 10 0 BHAERN CC[C@@H](C)C(=O)c1cc(F)cc(Cl)c1 ZINC000307014587 351423195 /nfs/dbraw/zinc/42/31/95/351423195.db2.gz SQAOTDCLRRAJQC-SSDOTTSWSA-N 0 0 214.667 3.708 10 0 BHAERN CC[C@H](C)C(=O)c1cc(F)cc(Cl)c1 ZINC000307014588 351422845 /nfs/dbraw/zinc/42/28/45/351422845.db2.gz SQAOTDCLRRAJQC-ZETCQYMHSA-N 0 0 214.667 3.708 10 0 BHAERN FC(F)Oc1ccc(Cl)c2scnc21 ZINC000307015317 351422778 /nfs/dbraw/zinc/42/27/78/351422778.db2.gz TXCITUYRWPIGHN-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN Clc1sccc1-c1cnc(Cl)cn1 ZINC000307015465 351421412 /nfs/dbraw/zinc/42/14/12/351421412.db2.gz QEYRPRUNBGQDTB-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN CSc1ccc(Cl)c(Cl)c1F ZINC000307017326 351422715 /nfs/dbraw/zinc/42/27/15/351422715.db2.gz ABJHNHKXIVCZFZ-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN Clc1sccc1NCC1CCC1 ZINC000307019211 351424039 /nfs/dbraw/zinc/42/40/39/351424039.db2.gz RSPOOQAAAUVHBR-UHFFFAOYSA-N 0 0 201.722 3.614 10 0 BHAERN FC(F)Oc1ccc(Cl)c2ncsc21 ZINC000307022022 353049981 /nfs/dbraw/zinc/04/99/81/353049981.db2.gz BYLLXNCEAAFXEJ-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN Cc1ccsc1C(=O)C(Cl)(Cl)Cl ZINC000307025679 351434901 /nfs/dbraw/zinc/43/49/01/351434901.db2.gz HUJBADYJZLIDNA-UHFFFAOYSA-N 0 0 243.542 3.609 10 0 BHAERN Cc1ccc(Cl)c(Cl)c1OC(F)F ZINC000307025953 351434407 /nfs/dbraw/zinc/43/44/07/351434407.db2.gz IGNGKDFZTRPOQL-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN CCc1sc(Cl)nc1C(C)(C)C ZINC000307026187 351434334 /nfs/dbraw/zinc/43/43/34/351434334.db2.gz JCPRTOBLUPRSKO-UHFFFAOYSA-N 0 0 203.738 3.656 10 0 BHAERN C/C(=C/Cl)CNc1cscc1C ZINC000307027001 351435371 /nfs/dbraw/zinc/43/53/71/351435371.db2.gz ZDCTXBVRXBFPPW-CLTKARDFSA-N 0 0 201.722 3.611 10 0 BHAERN CCc1c(F)c(F)c(Cl)c(Cl)c1F ZINC000307027553 351435608 /nfs/dbraw/zinc/43/56/08/351435608.db2.gz LTSKMPFBCICUCU-UHFFFAOYSA-N 0 0 229.028 3.973 10 0 BHAERN Oc1cc(Cl)c(Cl)cc1C(F)F ZINC000307029090 351430649 /nfs/dbraw/zinc/43/06/49/351430649.db2.gz NSJLRSUSWLYMDT-UHFFFAOYSA-N 0 0 213.010 3.637 10 0 BHAERN CCOc1cc(Cl)cc(F)c1Cl ZINC000307032748 351432578 /nfs/dbraw/zinc/43/25/78/351432578.db2.gz RYMBAECMPPIXIA-UHFFFAOYSA-N 0 0 209.047 3.531 10 0 BHAERN FC(F)Oc1nc2ccc(Cl)cc2s1 ZINC000307032994 353050907 /nfs/dbraw/zinc/05/09/07/353050907.db2.gz QTQRQHYVKDLEQF-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN Cc1csc([C@H](O)c2csc(C)c2)c1 ZINC000307033584 351433277 /nfs/dbraw/zinc/43/32/77/351433277.db2.gz LYPHBNRMDLTNNC-LLVKDONJSA-N 0 0 224.350 3.508 10 0 BHAERN Cc1csc([C@@H](O)c2csc(C)c2)c1 ZINC000307033585 351433383 /nfs/dbraw/zinc/43/33/83/351433383.db2.gz LYPHBNRMDLTNNC-NSHDSACASA-N 0 0 224.350 3.508 10 0 BHAERN Cc1cccc(Cl)c1C(=O)C1CCC1 ZINC000307036615 351438060 /nfs/dbraw/zinc/43/80/60/351438060.db2.gz OIUAQZQKRHJOSX-UHFFFAOYSA-N 0 0 208.688 3.631 10 0 BHAERN Cc1ccc(SC(F)(F)F)c(O)c1C ZINC000307036761 351438905 /nfs/dbraw/zinc/43/89/05/351438905.db2.gz ZAZCLVZEFXTECQ-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN CC(C)(C)C(=O)c1c(Cl)ccc(F)c1F ZINC000307039531 351437031 /nfs/dbraw/zinc/43/70/31/351437031.db2.gz KHBMFSSDWYTAPC-UHFFFAOYSA-N 0 0 232.657 3.847 10 0 BHAERN CC1(C(=O)c2csc3ccccc23)CC1 ZINC000307040213 351437961 /nfs/dbraw/zinc/43/79/61/351437961.db2.gz LSALFISYJMWQFH-UHFFFAOYSA-N 0 0 216.305 3.884 10 0 BHAERN CC(C)[C@@H](C)C(=O)c1cccc(Cl)c1F ZINC000307040538 351439022 /nfs/dbraw/zinc/43/90/22/351439022.db2.gz JNIJCSHKELUSFV-MRVPVSSYSA-N 0 0 228.694 3.954 10 0 BHAERN CC(C)[C@H](C)C(=O)c1cccc(Cl)c1F ZINC000307040539 351439171 /nfs/dbraw/zinc/43/91/71/351439171.db2.gz JNIJCSHKELUSFV-QMMMGPOBSA-N 0 0 228.694 3.954 10 0 BHAERN CC(=O)c1c(Cl)cccc1OC(C)(C)C ZINC000307042705 351445135 /nfs/dbraw/zinc/44/51/35/351445135.db2.gz BVHVOSOHCJDQIQ-UHFFFAOYSA-N 0 0 226.703 3.720 10 0 BHAERN Cc1cc(F)cc(Cl)c1OC(F)(F)F ZINC000307043166 351445031 /nfs/dbraw/zinc/44/50/31/351445031.db2.gz UATWFWJLJRZOKY-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN S=c1ccnc(-c2ccc(Cl)s2)[nH]1 ZINC000307043815 351445100 /nfs/dbraw/zinc/44/51/00/351445100.db2.gz SUMRVYPGBCNFLU-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN Cc1csc2c1nc(C)c(C)c2Cl ZINC000307045445 351446080 /nfs/dbraw/zinc/44/60/80/351446080.db2.gz VPAUKIXJBIQVCL-UHFFFAOYSA-N 0 0 211.717 3.875 10 0 BHAERN CSc1cc(Cl)c(F)cc1Cl ZINC000307052484 353052072 /nfs/dbraw/zinc/05/20/72/353052072.db2.gz OQIZCELHABDOOE-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN CSc1cc(F)c(C(F)F)c(F)c1 ZINC000307053539 351456956 /nfs/dbraw/zinc/45/69/56/351456956.db2.gz PVBWOPGLIRYUOW-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN Oc1cccc(-c2ccsc2Cl)c1 ZINC000307054106 351454186 /nfs/dbraw/zinc/45/41/86/351454186.db2.gz WOQKPUXSPPFNEE-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN CCC(=O)[C@H](C)CCCOCc1ccccc1 ZINC000307065888 351462401 /nfs/dbraw/zinc/46/24/01/351462401.db2.gz SSDNLEQCPNCGNX-CYBMUJFWSA-N 0 0 234.339 3.599 10 0 BHAERN CCC(=O)[C@@H](C)CCCOCc1ccccc1 ZINC000307065889 351462474 /nfs/dbraw/zinc/46/24/74/351462474.db2.gz SSDNLEQCPNCGNX-ZDUSSCGKSA-N 0 0 234.339 3.599 10 0 BHAERN Cc1c(Cl)ccc2c1SC[C@H](C)CN2 ZINC000307065946 351462535 /nfs/dbraw/zinc/46/25/35/351462535.db2.gz JHQCAVWRAAWMTB-SSDOTTSWSA-N 0 0 227.760 3.802 10 0 BHAERN Cc1c(Cl)ccc2c1SC[C@@H](C)CN2 ZINC000307065947 351462514 /nfs/dbraw/zinc/46/25/14/351462514.db2.gz JHQCAVWRAAWMTB-ZETCQYMHSA-N 0 0 227.760 3.802 10 0 BHAERN CCCNc1cc(C)c(Br)cc1F ZINC000307068032 351463448 /nfs/dbraw/zinc/46/34/48/351463448.db2.gz ZUJLBHVZKTXHJU-UHFFFAOYSA-N 0 0 246.123 3.719 10 0 BHAERN Cc1ccc(C(=O)[C@H]2CCCC2(F)F)s1 ZINC000307068613 351463342 /nfs/dbraw/zinc/46/33/42/351463342.db2.gz WZZHFQDYTKWLEQ-MRVPVSSYSA-N 0 0 230.279 3.675 10 0 BHAERN Cc1ccc(C(=O)[C@@H]2CCCC2(F)F)s1 ZINC000307068614 351463384 /nfs/dbraw/zinc/46/33/84/351463384.db2.gz WZZHFQDYTKWLEQ-QMMMGPOBSA-N 0 0 230.279 3.675 10 0 BHAERN Clc1nc2c(c(Cl)n1)CCC21CCCC1 ZINC000307068683 351463421 /nfs/dbraw/zinc/46/34/21/351463421.db2.gz XJANMBZNRQAQDU-UHFFFAOYSA-N 0 0 243.137 3.541 10 0 BHAERN Cc1ccc(C(=O)C(Cl)(Cl)Cl)s1 ZINC000307069241 353052680 /nfs/dbraw/zinc/05/26/80/353052680.db2.gz CHMPDMXVTNJKSC-UHFFFAOYSA-N 0 0 243.542 3.609 10 0 BHAERN Cc1cc(Cl)c(C(=O)C(C)(F)F)cc1C ZINC000307070027 351463355 /nfs/dbraw/zinc/46/33/55/351463355.db2.gz VBBCZUMPMCQBBG-UHFFFAOYSA-N 0 0 232.657 3.795 10 0 BHAERN FC(F)Oc1cc2ncsc2c(Cl)c1 ZINC000307071608 351465940 /nfs/dbraw/zinc/46/59/40/351465940.db2.gz GUJMXPIBCPBZPE-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN CSc1ccc(NC/C=C/Cl)cc1F ZINC000307073877 385886631 /nfs/dbraw/zinc/88/66/31/385886631.db2.gz MSLCXMKQQDZYAC-GORDUTHDSA-N 0 0 231.723 3.712 10 0 BHAERN CSc1cc(F)c(Cl)cc1Cl ZINC000307074181 351464784 /nfs/dbraw/zinc/46/47/84/351464784.db2.gz ASKXPOPVXASUNV-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN CCc1sc(Cl)c(N)c1C(C)(C)C ZINC000307076023 351464806 /nfs/dbraw/zinc/46/48/06/351464806.db2.gz KVKRSLXQUUNTDI-UHFFFAOYSA-N 0 0 217.765 3.844 10 0 BHAERN Cc1c(F)cc(OC(F)(F)F)cc1Cl ZINC000307076329 351466009 /nfs/dbraw/zinc/46/60/09/351466009.db2.gz LFLXXUORFMIRMB-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN CSc1cc(Cl)c(C(F)(F)F)cc1N ZINC000307083406 385247597 /nfs/dbraw/zinc/24/75/97/385247597.db2.gz QOSUHKLAUWJMHY-UHFFFAOYSA-N 0 0 241.665 3.663 10 0 BHAERN Cc1cc(SC(F)(F)F)cc(F)c1F ZINC000307084836 353053463 /nfs/dbraw/zinc/05/34/63/353053463.db2.gz IXRWYSAZHGXLSR-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN Cc1sc(Cl)c(N)c1C(C)(C)C ZINC000307089980 351472461 /nfs/dbraw/zinc/47/24/61/351472461.db2.gz VTHXGYRBLLOBMA-UHFFFAOYSA-N 0 0 203.738 3.590 10 0 BHAERN FC(F)Oc1ccc2scnc2c1Cl ZINC000307091991 351473306 /nfs/dbraw/zinc/47/33/06/351473306.db2.gz YNDQUGCUYCKOHL-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN CC1(C)C[C@@H]1C(=O)c1ccsc1Cl ZINC000307093032 351473330 /nfs/dbraw/zinc/47/33/30/351473330.db2.gz BZBMDPGVMFMKGZ-SSDOTTSWSA-N 0 0 214.717 3.630 10 0 BHAERN CC1(C)C[C@H]1C(=O)c1ccsc1Cl ZINC000307093033 351474250 /nfs/dbraw/zinc/47/42/50/351474250.db2.gz BZBMDPGVMFMKGZ-ZETCQYMHSA-N 0 0 214.717 3.630 10 0 BHAERN CC[C@@H]1CCC[C@@H](C(=O)C(C)(C)F)C1 ZINC000307093234 385904538 /nfs/dbraw/zinc/90/45/38/385904538.db2.gz ZYEVEBKZTLQTTG-NXEZZACHSA-N 0 0 200.297 3.520 10 0 BHAERN CC[C@H]1CCC[C@H](C(=O)C(C)(C)F)C1 ZINC000307093237 385904993 /nfs/dbraw/zinc/90/49/93/385904993.db2.gz ZYEVEBKZTLQTTG-UWVGGRQHSA-N 0 0 200.297 3.520 10 0 BHAERN CC[C@H]1CCC[C@@H](C(=O)C(C)(C)F)C1 ZINC000307093239 385904640 /nfs/dbraw/zinc/90/46/40/385904640.db2.gz ZYEVEBKZTLQTTG-VHSXEESVSA-N 0 0 200.297 3.520 10 0 BHAERN CC[C@@H]1CCC[C@H](C(=O)C(C)(C)F)C1 ZINC000307093241 385904954 /nfs/dbraw/zinc/90/49/54/385904954.db2.gz ZYEVEBKZTLQTTG-ZJUUUORDSA-N 0 0 200.297 3.520 10 0 BHAERN CSc1cc(Cl)ccc1OC(F)F ZINC000307095025 385905622 /nfs/dbraw/zinc/90/56/22/385905622.db2.gz FTAVCEYVUYQHMF-UHFFFAOYSA-N 0 0 224.659 3.663 10 0 BHAERN CSc1ccc(F)c(C(F)F)c1F ZINC000307095498 385904754 /nfs/dbraw/zinc/90/47/54/385904754.db2.gz GGHXJCXLDSXPDG-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN CC(F)(F)[C@H](O)c1cc(Cl)ccc1Cl ZINC000307097563 351477693 /nfs/dbraw/zinc/47/76/93/351477693.db2.gz FMBMIUIKOAUYGD-MRVPVSSYSA-N 0 0 241.064 3.682 10 0 BHAERN CC(F)(F)[C@@H](O)c1cc(Cl)ccc1Cl ZINC000307097564 351477743 /nfs/dbraw/zinc/47/77/43/351477743.db2.gz FMBMIUIKOAUYGD-QMMMGPOBSA-N 0 0 241.064 3.682 10 0 BHAERN Cc1cscc1Nc1nc(Cl)cs1 ZINC000307097669 351477660 /nfs/dbraw/zinc/47/76/60/351477660.db2.gz DLXLUTIJNPRTMU-UHFFFAOYSA-N 0 0 230.745 3.910 10 0 BHAERN CC(C)(C)CCNc1cc(Cl)nc(Cl)n1 ZINC000307103357 372084565 /nfs/dbraw/zinc/08/45/65/372084565.db2.gz HIJFIGCXVFMAQH-UHFFFAOYSA-N 0 0 248.157 3.632 10 0 BHAERN Cc1ccc(F)c(Cl)c1OC(F)(F)F ZINC000307103929 372086314 /nfs/dbraw/zinc/08/63/14/372086314.db2.gz FNSBNMVGVXFTAL-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN CCC1(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000307105191 386008597 /nfs/dbraw/zinc/00/85/97/386008597.db2.gz CRZMJOAOYRJPJD-UHFFFAOYSA-N 0 0 202.297 3.676 10 0 BHAERN CSc1cc(C(F)F)c(F)cc1F ZINC000307105416 386008278 /nfs/dbraw/zinc/00/82/78/386008278.db2.gz INUBNMDCXAMCCN-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN CCOc1cc(Cl)c(F)c(Cl)c1 ZINC000307107936 351483484 /nfs/dbraw/zinc/48/34/84/351483484.db2.gz LMXYBVOWQSWGFL-UHFFFAOYSA-N 0 0 209.047 3.531 10 0 BHAERN C[C@H]1CCNc2c(F)ccc(Br)c21 ZINC000307109099 351480410 /nfs/dbraw/zinc/48/04/10/351480410.db2.gz MNMDAFDKFFNAFD-LURJTMIESA-N 0 0 244.107 3.507 10 0 BHAERN C[C@@H]1CCNc2c(F)ccc(Br)c21 ZINC000307109101 351480021 /nfs/dbraw/zinc/48/00/21/351480021.db2.gz MNMDAFDKFFNAFD-ZCFIWIBFSA-N 0 0 244.107 3.507 10 0 BHAERN Cc1c(Cl)ccc(Cl)c1OC(F)F ZINC000307112005 351484428 /nfs/dbraw/zinc/48/44/28/351484428.db2.gz PAGXNTZKJIRFKR-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN Oc1cc(Cl)c(C(F)(F)F)c(Cl)c1 ZINC000307112027 351484620 /nfs/dbraw/zinc/48/46/20/351484620.db2.gz PCFPKNQJXQQKIN-UHFFFAOYSA-N 0 0 231.000 3.718 10 0 BHAERN CSc1ccc(OC(F)F)cc1Cl ZINC000307112779 351485880 /nfs/dbraw/zinc/48/58/80/351485880.db2.gz QRBRLBVYIUNIQG-UHFFFAOYSA-N 0 0 224.659 3.663 10 0 BHAERN Cc1ccc(Cl)c(F)c1OC(F)(F)F ZINC000307116840 351487944 /nfs/dbraw/zinc/48/79/44/351487944.db2.gz ZQBHHYUQSCBZPO-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN CCOc1cc(F)c(Cl)c(Cl)c1 ZINC000307119576 353055781 /nfs/dbraw/zinc/05/57/81/353055781.db2.gz ZTPNFUBWOHAZNF-UHFFFAOYSA-N 0 0 209.047 3.531 10 0 BHAERN CCc1c(F)c(F)c(Cl)c(F)c1Cl ZINC000307120597 397981754 /nfs/dbraw/zinc/98/17/54/397981754.db2.gz ISWNFWVUWHLCSJ-UHFFFAOYSA-N 0 0 229.028 3.973 10 0 BHAERN CCC1(Nc2ncc(Cl)s2)CCC1 ZINC000307122612 397982410 /nfs/dbraw/zinc/98/24/10/397982410.db2.gz WFQIYDDKVOWFOW-UHFFFAOYSA-N 0 0 216.737 3.541 10 0 BHAERN CC(F)(F)[C@H](O)c1cccc(Cl)c1Cl ZINC000307123036 353055978 /nfs/dbraw/zinc/05/59/78/353055978.db2.gz NLUNRSNDVXDXHF-MRVPVSSYSA-N 0 0 241.064 3.682 10 0 BHAERN CC(F)(F)[C@@H](O)c1cccc(Cl)c1Cl ZINC000307123037 351490873 /nfs/dbraw/zinc/49/08/73/351490873.db2.gz NLUNRSNDVXDXHF-QMMMGPOBSA-N 0 0 241.064 3.682 10 0 BHAERN CCOc1ccc(Cl)c(C)c1Cl ZINC000307127758 385929370 /nfs/dbraw/zinc/92/93/70/385929370.db2.gz CMTACOLYPJQCRM-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN Cc1c(F)cc(SC(F)(F)F)cc1F ZINC000307128990 351492673 /nfs/dbraw/zinc/49/26/73/351492673.db2.gz FGWSRPLZJBEGBL-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN O[C@H](c1ccsc1)c1ccsc1Cl ZINC000307132579 385938473 /nfs/dbraw/zinc/93/84/73/385938473.db2.gz HAKHFGIDNCBUJA-MRVPVSSYSA-N 0 0 230.741 3.545 10 0 BHAERN O[C@@H](c1ccsc1)c1ccsc1Cl ZINC000307132580 385938638 /nfs/dbraw/zinc/93/86/38/385938638.db2.gz HAKHFGIDNCBUJA-QMMMGPOBSA-N 0 0 230.741 3.545 10 0 BHAERN C[C@](O)(c1sccc1Cl)C1CCCC1 ZINC000307146875 353058085 /nfs/dbraw/zinc/05/80/85/353058085.db2.gz HJRJBNYYBYCICQ-LLVKDONJSA-N 0 0 230.760 3.799 10 0 BHAERN C[C@@](O)(c1sccc1Cl)C1CCCC1 ZINC000307146884 351499147 /nfs/dbraw/zinc/49/91/47/351499147.db2.gz HJRJBNYYBYCICQ-NSHDSACASA-N 0 0 230.760 3.799 10 0 BHAERN CC[C@@]1(c2ccc(Cl)c(Cl)c2)CO1 ZINC000307157385 351507390 /nfs/dbraw/zinc/50/73/90/351507390.db2.gz QGIMGVVKWFWPHB-JTQLQIEISA-N 0 0 217.095 3.629 10 0 BHAERN CC[C@]1(c2ccc(Cl)c(Cl)c2)CO1 ZINC000307157386 351507306 /nfs/dbraw/zinc/50/73/06/351507306.db2.gz QGIMGVVKWFWPHB-SNVBAGLBSA-N 0 0 217.095 3.629 10 0 BHAERN Cc1csc(C(=O)c2ccccc2Cl)c1 ZINC000307160110 351510790 /nfs/dbraw/zinc/51/07/90/351510790.db2.gz JPSNMSOXNXFFQX-UHFFFAOYSA-N 0 0 236.723 3.941 10 0 BHAERN Cc1cc(C[C@H]2C[C@H](C)CCC2=O)cs1 ZINC000307160726 385990491 /nfs/dbraw/zinc/99/04/91/385990491.db2.gz JZFABMFTNKIIDJ-BXKDBHETSA-N 0 0 222.353 3.604 10 0 BHAERN Cc1cc(C[C@@H]2C[C@@H](C)CCC2=O)cs1 ZINC000307160727 385990239 /nfs/dbraw/zinc/99/02/39/385990239.db2.gz JZFABMFTNKIIDJ-CABZTGNLSA-N 0 0 222.353 3.604 10 0 BHAERN Cc1cc(C[C@H]2C[C@@H](C)CCC2=O)cs1 ZINC000307160728 385990290 /nfs/dbraw/zinc/99/02/90/385990290.db2.gz JZFABMFTNKIIDJ-JOYOIKCWSA-N 0 0 222.353 3.604 10 0 BHAERN Cc1cc(C[C@@H]2C[C@H](C)CCC2=O)cs1 ZINC000307160729 351519239 /nfs/dbraw/zinc/51/92/39/351519239.db2.gz JZFABMFTNKIIDJ-SKDRFNHKSA-N 0 0 222.353 3.604 10 0 BHAERN Cc1oc(Br)cc1C(=O)C(C)(C)C ZINC000307165210 372089938 /nfs/dbraw/zinc/08/99/38/372089938.db2.gz LJFJNXFSVJRLIZ-UHFFFAOYSA-N 0 0 245.116 3.579 10 0 BHAERN Cc1c(Cl)ccc(OC(F)(F)F)c1F ZINC000307165572 351532385 /nfs/dbraw/zinc/53/23/85/351532385.db2.gz MDKZMLNFFCEUQJ-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN CC(F)(F)C(=O)c1cc(Cl)sc1Cl ZINC000307165609 351531954 /nfs/dbraw/zinc/53/19/54/351531954.db2.gz NGPSXNWBMQQJES-UHFFFAOYSA-N 0 0 245.077 3.893 10 0 BHAERN Cc1ccsc1C(=O)[C@H]1CCCC1(F)F ZINC000307166167 353058879 /nfs/dbraw/zinc/05/88/79/353058879.db2.gz OGTWRCNVJQRKJB-MRVPVSSYSA-N 0 0 230.279 3.675 10 0 BHAERN Cc1ccsc1C(=O)[C@@H]1CCCC1(F)F ZINC000307166168 351530889 /nfs/dbraw/zinc/53/08/89/351530889.db2.gz OGTWRCNVJQRKJB-QMMMGPOBSA-N 0 0 230.279 3.675 10 0 BHAERN Cc1ccc(F)c(OC(F)(F)F)c1Cl ZINC000307166213 351530903 /nfs/dbraw/zinc/53/09/03/351530903.db2.gz OJCLVAQKZQDIQC-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN Cc1ccc(Cl)c(OC(F)(F)F)c1F ZINC000307166427 351535111 /nfs/dbraw/zinc/53/51/11/351535111.db2.gz PBRUMKVPEUGAQU-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN CSC(C)(C)C(=O)c1cccc(Cl)c1 ZINC000307167016 351537958 /nfs/dbraw/zinc/53/79/58/351537958.db2.gz QKDGYDPQAYQEBP-UHFFFAOYSA-N 0 0 228.744 3.664 10 0 BHAERN Cc1c(Cl)nc(Cl)nc1C1CCCC1 ZINC000307168114 351539154 /nfs/dbraw/zinc/53/91/54/351539154.db2.gz UGSWVATUEGCOBW-UHFFFAOYSA-N 0 0 231.126 3.749 10 0 BHAERN CSc1ccc(OC(F)F)c(Cl)c1 ZINC000307168314 351541843 /nfs/dbraw/zinc/54/18/43/351541843.db2.gz UWJHVGWYWAQACP-UHFFFAOYSA-N 0 0 224.659 3.663 10 0 BHAERN CSc1cc(OC(F)F)ccc1Cl ZINC000307169227 386025312 /nfs/dbraw/zinc/02/53/12/386025312.db2.gz XLLBUQILONRNOU-UHFFFAOYSA-N 0 0 224.659 3.663 10 0 BHAERN Oc1cc(Cl)c(Cl)c(OC(F)(F)F)c1 ZINC000307172640 351564769 /nfs/dbraw/zinc/56/47/69/351564769.db2.gz QCGIXQTYFODKGH-UHFFFAOYSA-N 0 0 246.999 3.598 10 0 BHAERN CCOc1cc(F)cc(Cl)c1Cl ZINC000307176523 386086264 /nfs/dbraw/zinc/08/62/64/386086264.db2.gz YBEZQWYVSNPEFP-UHFFFAOYSA-N 0 0 209.047 3.531 10 0 BHAERN FC(F)(F)c1cccc2oc(Cl)nc21 ZINC000307179068 345134700 /nfs/dbraw/zinc/13/47/00/345134700.db2.gz LGKJBAKLBMBRTN-UHFFFAOYSA-N 0 0 221.565 3.500 10 0 BHAERN CSc1cc(F)cc(F)c1C(F)F ZINC000307181458 351572654 /nfs/dbraw/zinc/57/26/54/351572654.db2.gz RKENXPRMGZBNOU-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN FC(F)Oc1cc2scnc2c(Cl)c1 ZINC000307182987 386139057 /nfs/dbraw/zinc/13/90/57/386139057.db2.gz WUJMEDZWYTVMBI-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN CC(=O)c1c(F)c(F)c(Cl)c(Cl)c1F ZINC000307183438 351581628 /nfs/dbraw/zinc/58/16/28/351581628.db2.gz YBVMBDOAUULZBW-UHFFFAOYSA-N 0 0 243.011 3.613 10 0 BHAERN CC(C)(F)C(=O)c1cc(Cl)sc1Cl ZINC000307184157 398014821 /nfs/dbraw/zinc/01/48/21/398014821.db2.gz AUAXXWFDDSGIJL-UHFFFAOYSA-N 0 0 241.114 3.986 10 0 BHAERN Cc1c(Cl)ccc(F)c1OC(F)(F)F ZINC000307185262 351581284 /nfs/dbraw/zinc/58/12/84/351581284.db2.gz HNGKNEMRCRLDOV-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN Cc1c(F)cc(Cl)cc1OC(F)(F)F ZINC000307186875 351588037 /nfs/dbraw/zinc/58/80/37/351588037.db2.gz NOBIFYMPVQEAOV-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN C[C@H](C[C@@H]1CCC(=O)C1)C1CCCCC1 ZINC000307197399 351596440 /nfs/dbraw/zinc/59/64/40/351596440.db2.gz RLMUIJXFQJCFFB-NEPJUHHUSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@@H](C[C@H]1CCC(=O)C1)C1CCCCC1 ZINC000307197400 351596429 /nfs/dbraw/zinc/59/64/29/351596429.db2.gz RLMUIJXFQJCFFB-NWDGAFQWSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@@H](C[C@@H]1CCC(=O)C1)C1CCCCC1 ZINC000307197401 351596178 /nfs/dbraw/zinc/59/61/78/351596178.db2.gz RLMUIJXFQJCFFB-RYUDHWBXSA-N 0 0 208.345 3.962 10 0 BHAERN C[C@H](C[C@H]1CCC(=O)C1)C1CCCCC1 ZINC000307197402 351596159 /nfs/dbraw/zinc/59/61/59/351596159.db2.gz RLMUIJXFQJCFFB-VXGBXAGGSA-N 0 0 208.345 3.962 10 0 BHAERN Cc1c(Cl)ccc(C(=O)CC2CC2)c1F ZINC000307198055 351598919 /nfs/dbraw/zinc/59/89/19/351598919.db2.gz UBTSTLHJODVSSH-UHFFFAOYSA-N 0 0 226.678 3.770 10 0 BHAERN CCOc1c(Cl)ccc(Cl)c1C ZINC000307201262 351604808 /nfs/dbraw/zinc/60/48/08/351604808.db2.gz CVJYWHXWZYIDCW-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN Cc1nc(Br)sc1CC(C)(C)C ZINC000307201858 351603859 /nfs/dbraw/zinc/60/38/59/351603859.db2.gz DGXXXPDQDVJDBM-UHFFFAOYSA-N 0 0 248.189 3.803 10 0 BHAERN Cc1cc(F)c(C(F)(F)F)cc1Cl ZINC000307204543 351605836 /nfs/dbraw/zinc/60/58/36/351605836.db2.gz GOYXBFHYGJFODR-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN CC(=O)c1c(Cl)ccc(C)c1Cl ZINC000307206540 351608566 /nfs/dbraw/zinc/60/85/66/351608566.db2.gz HRDUYXRTXQSBPZ-UHFFFAOYSA-N 0 0 203.068 3.504 10 0 BHAERN CCC(=O)c1ccc2ccccc2c1F ZINC000307209121 351609033 /nfs/dbraw/zinc/60/90/33/351609033.db2.gz AHWJNFMTEKEHOX-UHFFFAOYSA-N 0 0 202.228 3.572 10 0 BHAERN CC1(C)CS[C@H](c2sccc2Cl)N1 ZINC000307210754 351611273 /nfs/dbraw/zinc/61/12/73/351611273.db2.gz MZABRDKYQVBJHM-MRVPVSSYSA-N 0 0 233.789 3.515 10 0 BHAERN CC1(C)CS[C@@H](c2sccc2Cl)N1 ZINC000307210755 351611303 /nfs/dbraw/zinc/61/13/03/351611303.db2.gz MZABRDKYQVBJHM-QMMMGPOBSA-N 0 0 233.789 3.515 10 0 BHAERN Cc1ccsc1[C@](C)(O)CC(C)(C)C ZINC000307214746 351614590 /nfs/dbraw/zinc/61/45/90/351614590.db2.gz ATZXHCJVXBUXBN-GFCCVEGCSA-N 0 0 212.358 3.700 10 0 BHAERN Cc1ccsc1[C@@](C)(O)CC(C)(C)C ZINC000307214748 351614585 /nfs/dbraw/zinc/61/45/85/351614585.db2.gz ATZXHCJVXBUXBN-LBPRGKRZSA-N 0 0 212.358 3.700 10 0 BHAERN C[C@H](CC(C)(C)C)NC(=O)OCc1ccccc1 ZINC000307216906 351617185 /nfs/dbraw/zinc/61/71/85/351617185.db2.gz BWQRSTVRKHNDHC-GFCCVEGCSA-N 0 0 249.354 3.738 10 0 BHAERN C[C@@H](CC(C)(C)C)NC(=O)OCc1ccccc1 ZINC000307216908 351617206 /nfs/dbraw/zinc/61/72/06/351617206.db2.gz BWQRSTVRKHNDHC-LBPRGKRZSA-N 0 0 249.354 3.738 10 0 BHAERN c1ccc(CNc2ccc3c(c2)CCCO3)cc1 ZINC000307217495 351618112 /nfs/dbraw/zinc/61/81/12/351618112.db2.gz CHHKGCLQTXSUFK-UHFFFAOYSA-N 0 0 239.318 3.624 10 0 BHAERN CSC(C)(C)C(=O)c1ccc(Cl)cc1 ZINC000307217751 372097469 /nfs/dbraw/zinc/09/74/69/372097469.db2.gz GCQFZYKSDRZSQS-UHFFFAOYSA-N 0 0 228.744 3.664 10 0 BHAERN CC[C@@H]1CCC(=O)[C@H](CC2(C)CCC2)C1 ZINC000307225369 351665868 /nfs/dbraw/zinc/66/58/68/351665868.db2.gz CUCUWOCDAIYCQD-NEPJUHHUSA-N 0 0 208.345 3.962 10 0 BHAERN CC[C@H]1CCC(=O)[C@@H](CC2(C)CCC2)C1 ZINC000307225370 351666056 /nfs/dbraw/zinc/66/60/56/351666056.db2.gz CUCUWOCDAIYCQD-NWDGAFQWSA-N 0 0 208.345 3.962 10 0 BHAERN CC[C@H]1CCC(=O)[C@H](CC2(C)CCC2)C1 ZINC000307225371 351666027 /nfs/dbraw/zinc/66/60/27/351666027.db2.gz CUCUWOCDAIYCQD-RYUDHWBXSA-N 0 0 208.345 3.962 10 0 BHAERN CC[C@@H]1CCC(=O)[C@@H](CC2(C)CCC2)C1 ZINC000307225372 351665875 /nfs/dbraw/zinc/66/58/75/351665875.db2.gz CUCUWOCDAIYCQD-VXGBXAGGSA-N 0 0 208.345 3.962 10 0 BHAERN Cc1ccc2c(c1Br)NCC[C@H]2C ZINC000307227406 351670772 /nfs/dbraw/zinc/67/07/72/351670772.db2.gz WPLUKGIVICXSDH-SSDOTTSWSA-N 0 0 240.144 3.677 10 0 BHAERN Cc1ccc2c(c1Br)NCC[C@@H]2C ZINC000307227407 351670778 /nfs/dbraw/zinc/67/07/78/351670778.db2.gz WPLUKGIVICXSDH-ZETCQYMHSA-N 0 0 240.144 3.677 10 0 BHAERN Oc1ccccc1-c1ccsc1Cl ZINC000307233166 351699049 /nfs/dbraw/zinc/69/90/49/351699049.db2.gz DFKMMPXWCFGNOI-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN Cc1cc([C@H](O)CC2(C)CC2)c(C)s1 ZINC000307234694 351703932 /nfs/dbraw/zinc/70/39/32/351703932.db2.gz SBVOKKLDPWRESZ-LLVKDONJSA-N 0 0 210.342 3.589 10 0 BHAERN Cc1cc([C@@H](O)CC2(C)CC2)c(C)s1 ZINC000307234695 351703909 /nfs/dbraw/zinc/70/39/09/351703909.db2.gz SBVOKKLDPWRESZ-NSHDSACASA-N 0 0 210.342 3.589 10 0 BHAERN Cc1nc(-c2ccc(Cl)cc2C=O)cs1 ZINC000307235849 351720477 /nfs/dbraw/zinc/72/04/77/351720477.db2.gz FVSXXJKADPISHY-UHFFFAOYSA-N 0 0 237.711 3.584 10 0 BHAERN Cc1cc(Cl)ccc1N[C@@H]1CC[C@@H]1C ZINC000307239037 351729274 /nfs/dbraw/zinc/72/92/74/351729274.db2.gz PDAYSGPOBDOARV-GZMMTYOYSA-N 0 0 209.720 3.859 10 0 BHAERN Cc1cc(Cl)ccc1N[C@H]1CC[C@H]1C ZINC000307239039 351729179 /nfs/dbraw/zinc/72/91/79/351729179.db2.gz PDAYSGPOBDOARV-KCJUWKMLSA-N 0 0 209.720 3.859 10 0 BHAERN Cc1cc(Cl)ccc1N[C@H]1CC[C@@H]1C ZINC000307239040 351729232 /nfs/dbraw/zinc/72/92/32/351729232.db2.gz PDAYSGPOBDOARV-KWQFWETISA-N 0 0 209.720 3.859 10 0 BHAERN Cc1cc(Cl)ccc1N[C@@H]1CC[C@H]1C ZINC000307239042 351729230 /nfs/dbraw/zinc/72/92/30/351729230.db2.gz PDAYSGPOBDOARV-LDYMZIIASA-N 0 0 209.720 3.859 10 0 BHAERN CCc1cc(Cl)nc([C@@H]2CCC[C@H]2C)n1 ZINC000307239561 351730781 /nfs/dbraw/zinc/73/07/81/351730781.db2.gz HUEYGAHANXJHCP-PSASIEDQSA-N 0 0 224.735 3.596 10 0 BHAERN CCc1cc(Cl)nc([C@H]2CCC[C@H]2C)n1 ZINC000307239562 351731236 /nfs/dbraw/zinc/73/12/36/351731236.db2.gz HUEYGAHANXJHCP-SCZZXKLOSA-N 0 0 224.735 3.596 10 0 BHAERN CCc1cc(Cl)nc([C@@H]2CCC[C@@H]2C)n1 ZINC000307239564 351731544 /nfs/dbraw/zinc/73/15/44/351731544.db2.gz HUEYGAHANXJHCP-WCBMZHEXSA-N 0 0 224.735 3.596 10 0 BHAERN CCc1cc(Cl)nc([C@H]2CCC[C@@H]2C)n1 ZINC000307239565 351731561 /nfs/dbraw/zinc/73/15/61/351731561.db2.gz HUEYGAHANXJHCP-WPRPVWTQSA-N 0 0 224.735 3.596 10 0 BHAERN Cc1c(N)c(Br)sc1CC(C)C ZINC000307240697 351729196 /nfs/dbraw/zinc/72/91/96/351729196.db2.gz HGFVCOMYSVIWGB-UHFFFAOYSA-N 0 0 248.189 3.600 10 0 BHAERN Cc1cc(-c2cc(O)ccc2C)cs1 ZINC000307241077 351746515 /nfs/dbraw/zinc/74/65/15/351746515.db2.gz ILQGGRONJBWOLP-UHFFFAOYSA-N 0 0 204.294 3.738 10 0 BHAERN C[C@@H]1CSC[C@H]1Nc1ccsc1Cl ZINC000307241486 351747114 /nfs/dbraw/zinc/74/71/14/351747114.db2.gz RHCOAYXRUIEXBT-HTRCEHHLSA-N 0 0 233.789 3.565 10 0 BHAERN C[C@H]1CSC[C@H]1Nc1ccsc1Cl ZINC000307241487 351746933 /nfs/dbraw/zinc/74/69/33/351746933.db2.gz RHCOAYXRUIEXBT-POYBYMJQSA-N 0 0 233.789 3.565 10 0 BHAERN C[C@@H]1CSC[C@@H]1Nc1ccsc1Cl ZINC000307241489 351746948 /nfs/dbraw/zinc/74/69/48/351746948.db2.gz RHCOAYXRUIEXBT-SVRRBLITSA-N 0 0 233.789 3.565 10 0 BHAERN C[C@H]1CSC[C@@H]1Nc1ccsc1Cl ZINC000307241490 351747178 /nfs/dbraw/zinc/74/71/78/351747178.db2.gz RHCOAYXRUIEXBT-XPUUQOCRSA-N 0 0 233.789 3.565 10 0 BHAERN Cc1cc(F)c(F)c(SC(F)(F)F)c1 ZINC000307242126 351746785 /nfs/dbraw/zinc/74/67/85/351746785.db2.gz IHVWQSPUEAEULY-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN Cc1c(F)c(F)ccc1SC(F)(F)F ZINC000307242917 351748155 /nfs/dbraw/zinc/74/81/55/351748155.db2.gz IUUAIKJAJUHPGE-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN O=C(c1ccccc1Cl)C1CC(F)(F)C1 ZINC000307243798 351750798 /nfs/dbraw/zinc/75/07/98/351750798.db2.gz KLEWSJCYMDPWSM-UHFFFAOYSA-N 0 0 230.641 3.568 10 0 BHAERN CC1(CC(=O)[C@H]2[C@@H]3CCC[C@@H]32)CCCC1 ZINC000307244357 351749646 /nfs/dbraw/zinc/74/96/46/351749646.db2.gz LBWJVFOOGFWEQU-PJXYFTJBSA-N 0 0 206.329 3.572 10 0 BHAERN Cc1cccc(C(=O)C(Cl)(Cl)Cl)c1 ZINC000307245338 351753239 /nfs/dbraw/zinc/75/32/39/351753239.db2.gz MEQXYYMXEFFBMC-UHFFFAOYSA-N 0 0 237.513 3.548 10 0 BHAERN C[C@H]1C(=O)CC[C@H]1CCC1=CCCCC1 ZINC000307252683 398038578 /nfs/dbraw/zinc/03/85/78/398038578.db2.gz SVGYUKCFFJSEOW-DGCLKSJQSA-N 0 0 206.329 3.882 10 0 BHAERN C[C@@H]1C(=O)CC[C@H]1CCC1=CCCCC1 ZINC000307252684 398038987 /nfs/dbraw/zinc/03/89/87/398038987.db2.gz SVGYUKCFFJSEOW-WCQYABFASA-N 0 0 206.329 3.882 10 0 BHAERN C[C@H]1C(=O)CC[C@@H]1CCC1=CCCCC1 ZINC000307252685 398038759 /nfs/dbraw/zinc/03/87/59/398038759.db2.gz SVGYUKCFFJSEOW-YPMHNXCESA-N 0 0 206.329 3.882 10 0 BHAERN CCC1(C(=O)c2csc(C)n2)CCCC1 ZINC000307253296 351780310 /nfs/dbraw/zinc/78/03/10/351780310.db2.gz UZSVUDCPPNRVFR-UHFFFAOYSA-N 0 0 223.341 3.605 10 0 BHAERN O=C(C1CC(F)(F)C1)C1CCCCCC1 ZINC000307255773 351790221 /nfs/dbraw/zinc/79/02/21/351790221.db2.gz ZVJGLTYMKDVLDW-UHFFFAOYSA-N 0 0 216.271 3.571 10 0 BHAERN Cc1cc(Br)cc(F)c1NC(C)C ZINC000307259542 351797514 /nfs/dbraw/zinc/79/75/14/351797514.db2.gz CLIIJOHEURVEAO-UHFFFAOYSA-N 0 0 246.123 3.717 10 0 BHAERN C[C@H]1CCNc2c(F)cc(Br)cc21 ZINC000307260217 372103128 /nfs/dbraw/zinc/10/31/28/372103128.db2.gz MGOGIVFYVCXKNS-LURJTMIESA-N 0 0 244.107 3.507 10 0 BHAERN C[C@@H]1CCNc2c(F)cc(Br)cc21 ZINC000307260220 372103352 /nfs/dbraw/zinc/10/33/52/372103352.db2.gz MGOGIVFYVCXKNS-ZCFIWIBFSA-N 0 0 244.107 3.507 10 0 BHAERN CSc1ccc(Cl)cc1OC(F)F ZINC000307266951 398049053 /nfs/dbraw/zinc/04/90/53/398049053.db2.gz HSLKXKKJYDTYOM-UHFFFAOYSA-N 0 0 224.659 3.663 10 0 BHAERN CC(=O)c1c(F)c(F)c(F)c(Cl)c1Cl ZINC000307267339 351813612 /nfs/dbraw/zinc/81/36/12/351813612.db2.gz INJMSIQNAIMARP-UHFFFAOYSA-N 0 0 243.011 3.613 10 0 BHAERN Cc1ccc(F)c(F)c1SC(F)(F)F ZINC000307269165 353064742 /nfs/dbraw/zinc/06/47/42/353064742.db2.gz MLDOQCHUHYWOKL-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN Cc1cc(F)c(Cl)cc1OC(F)(F)F ZINC000307271935 351823335 /nfs/dbraw/zinc/82/33/35/351823335.db2.gz DAEJUINTIUGXPA-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN CSc1c(F)ccc(F)c1C(F)F ZINC000307274320 351830529 /nfs/dbraw/zinc/83/05/29/351830529.db2.gz MPRCATAFEFEOPU-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN C[C@H]1Cc2nc(C3CC3)sc2[C@H](C)C1 ZINC000307276366 351831939 /nfs/dbraw/zinc/83/19/39/351831939.db2.gz VTYLLNDUAMLQMY-HTQZYQBOSA-N 0 0 207.342 3.706 10 0 BHAERN C[C@@H]1C[C@H](C)Cc2nc(C3CC3)sc21 ZINC000307276368 351831734 /nfs/dbraw/zinc/83/17/34/351831734.db2.gz VTYLLNDUAMLQMY-JGVFFNPUSA-N 0 0 207.342 3.706 10 0 BHAERN C[C@H]1Cc2nc(C3CC3)sc2[C@@H](C)C1 ZINC000307276370 351831848 /nfs/dbraw/zinc/83/18/48/351831848.db2.gz VTYLLNDUAMLQMY-SFYZADRCSA-N 0 0 207.342 3.706 10 0 BHAERN C[C@@H]1Cc2nc(C3CC3)sc2[C@@H](C)C1 ZINC000307276372 351831791 /nfs/dbraw/zinc/83/17/91/351831791.db2.gz VTYLLNDUAMLQMY-YUMQZZPRSA-N 0 0 207.342 3.706 10 0 BHAERN C[C@H]1C(=O)CC[C@@H]1C[C@H]1CCC[C@@H](C)C1 ZINC000307279828 351834967 /nfs/dbraw/zinc/83/49/67/351834967.db2.gz XRVVREXVWMVQNI-FVCCEPFGSA-N 0 0 208.345 3.818 10 0 BHAERN C[C@@H]1C(=O)CC[C@@H]1C[C@H]1CCC[C@@H](C)C1 ZINC000307279829 351835000 /nfs/dbraw/zinc/83/50/00/351835000.db2.gz XRVVREXVWMVQNI-MROQNXINSA-N 0 0 208.345 3.818 10 0 BHAERN C[C@H]1C(=O)CC[C@H]1C[C@H]1CCC[C@@H](C)C1 ZINC000307279830 351835274 /nfs/dbraw/zinc/83/52/74/351835274.db2.gz XRVVREXVWMVQNI-NDBYEHHHSA-N 0 0 208.345 3.818 10 0 BHAERN C[C@@H]1C(=O)CC[C@H]1C[C@H]1CCC[C@@H](C)C1 ZINC000307279831 351835175 /nfs/dbraw/zinc/83/51/75/351835175.db2.gz XRVVREXVWMVQNI-VOAKCMCISA-N 0 0 208.345 3.818 10 0 BHAERN CCc1sc(Br)c(N)c1C1CC1 ZINC000307283931 351848394 /nfs/dbraw/zinc/84/83/94/351848394.db2.gz KHTYDNRNCAYJNK-UHFFFAOYSA-N 0 0 246.173 3.533 10 0 BHAERN CC[C@H](C)Sc1cc(C)c(C)cc1N ZINC000307286589 351852413 /nfs/dbraw/zinc/85/24/13/351852413.db2.gz RKJIASHBXOLOTL-JTQLQIEISA-N 0 0 209.358 3.776 10 0 BHAERN CC[C@@H](C)Sc1cc(C)c(C)cc1N ZINC000307286590 351852612 /nfs/dbraw/zinc/85/26/12/351852612.db2.gz RKJIASHBXOLOTL-SNVBAGLBSA-N 0 0 209.358 3.776 10 0 BHAERN Clc1nc(Sc2ccccc2)cs1 ZINC000307290109 351858497 /nfs/dbraw/zinc/85/84/97/351858497.db2.gz ZZZCHHCKYRNCTK-UHFFFAOYSA-N 0 0 227.741 3.948 10 0 BHAERN CCC[C@H](O)c1ccc(Cl)c(C)c1F ZINC000307291662 351896288 /nfs/dbraw/zinc/89/62/88/351896288.db2.gz JYCAJDCQRKHKHM-JTQLQIEISA-N 0 0 216.683 3.621 10 0 BHAERN CCC[C@@H](O)c1ccc(Cl)c(C)c1F ZINC000307291663 351896548 /nfs/dbraw/zinc/89/65/48/351896548.db2.gz JYCAJDCQRKHKHM-SNVBAGLBSA-N 0 0 216.683 3.621 10 0 BHAERN Cc1cn(Cc2ccc(Cl)s2)cc1C ZINC000307292283 372109142 /nfs/dbraw/zinc/10/91/42/372109142.db2.gz KLMDCTWTRMDJGI-UHFFFAOYSA-N 0 0 225.744 3.868 10 0 BHAERN Oc1ccc(OC(F)(F)F)c(Cl)c1Cl ZINC000307295844 351907501 /nfs/dbraw/zinc/90/75/01/351907501.db2.gz PNXSVNXVMKKLAG-UHFFFAOYSA-N 0 0 246.999 3.598 10 0 BHAERN O=C(c1sccc1F)c1ccc(Cl)cc1 ZINC000307297182 351908157 /nfs/dbraw/zinc/90/81/57/351908157.db2.gz SATXCHSDGWMBCU-UHFFFAOYSA-N 0 0 240.686 3.772 10 0 BHAERN O[C@H](Cc1sccc1Cl)c1cccs1 ZINC000307298375 351912799 /nfs/dbraw/zinc/91/27/99/351912799.db2.gz AABCMUAROFXEOA-MRVPVSSYSA-N 0 0 244.768 3.739 10 0 BHAERN O[C@@H](Cc1sccc1Cl)c1cccs1 ZINC000307298378 351912255 /nfs/dbraw/zinc/91/22/55/351912255.db2.gz AABCMUAROFXEOA-QMMMGPOBSA-N 0 0 244.768 3.739 10 0 BHAERN CSc1nc2c(cc(Cl)cc2Cl)[nH]1 ZINC000307299600 351918655 /nfs/dbraw/zinc/91/86/55/351918655.db2.gz VEYVJFHWHLVBKB-UHFFFAOYSA-N 0 0 233.123 3.592 10 0 BHAERN Clc1ccc(NC2CSC2)cc1Cl ZINC000307302306 353067547 /nfs/dbraw/zinc/06/75/47/353067547.db2.gz YTJSSHQCPICWGC-UHFFFAOYSA-N 0 0 234.151 3.521 10 0 BHAERN FC(F)Oc1nc2cccc(Cl)c2s1 ZINC000307305602 351932602 /nfs/dbraw/zinc/93/26/02/351932602.db2.gz CLZAZMQGHTUPHG-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN Cc1c(F)c(Cl)ccc1OC(F)(F)F ZINC000307307321 351931727 /nfs/dbraw/zinc/93/17/27/351931727.db2.gz DMXNUGANVNBRCG-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN CC(C)Sc1cccc(Br)c1N ZINC000307312818 353068304 /nfs/dbraw/zinc/06/83/04/353068304.db2.gz GVBWMFVNYKFLJT-UHFFFAOYSA-N 0 0 246.173 3.532 10 0 BHAERN S=c1ccc(-c2ccsc2Cl)n[nH]1 ZINC000307314597 351989161 /nfs/dbraw/zinc/98/91/61/351989161.db2.gz LIXFFAAVBSGXNJ-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN Nc1cc(C2CCCC2)sc1Cl ZINC000307315132 353068356 /nfs/dbraw/zinc/06/83/56/353068356.db2.gz LYEQMAXDBBUUOT-UHFFFAOYSA-N 0 0 201.722 3.641 10 0 BHAERN CSc1c(F)c(F)ccc1C(F)F ZINC000307315594 372110325 /nfs/dbraw/zinc/11/03/25/372110325.db2.gz YOLCZOYAPMONOH-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN Cc1cscc1NC/C(Cl)=C/Cl ZINC000307317810 351992250 /nfs/dbraw/zinc/99/22/50/351992250.db2.gz PIRNDZDZLZEHOP-UQCOIBPSSA-N 0 0 222.140 3.787 10 0 BHAERN Fc1ccnc(-c2ccsc2Cl)c1 ZINC000307320259 351999370 /nfs/dbraw/zinc/99/93/70/351999370.db2.gz UXKXPKRJRXFJDH-UHFFFAOYSA-N 0 0 213.664 3.603 10 0 BHAERN CC[C@@H](Nc1ncc(Cl)s1)C(C)C ZINC000307320262 490343907 /nfs/dbraw/zinc/34/39/07/490343907.db2.gz OQLLXLYEMNCHQG-SSDOTTSWSA-N 0 0 218.753 3.643 10 0 BHAERN CC[C@H](Nc1ncc(Cl)s1)C(C)C ZINC000307320264 490659378 /nfs/dbraw/zinc/65/93/78/490659378.db2.gz OQLLXLYEMNCHQG-ZETCQYMHSA-N 0 0 218.753 3.643 10 0 BHAERN CCCCc1cc(Cl)c(Cl)cc1N ZINC000307320969 352015412 /nfs/dbraw/zinc/01/54/12/352015412.db2.gz WAWFABLMUZSUGT-UHFFFAOYSA-N 0 0 218.127 3.918 10 0 BHAERN CC1CCC(CC(=O)c2cncs2)CC1 ZINC000307323096 352018209 /nfs/dbraw/zinc/01/82/09/352018209.db2.gz HCTLHIRRELOUGW-UHFFFAOYSA-N 0 0 223.341 3.542 10 0 BHAERN CC(C)Sc1cccc(Cl)c1[C@@H](C)O ZINC000307323120 352018422 /nfs/dbraw/zinc/01/84/22/352018422.db2.gz AHESNQBTZTZRFP-MRVPVSSYSA-N 0 0 230.760 3.894 10 0 BHAERN CC1(C)C[C@@H]1C(=O)Cc1sccc1Cl ZINC000307323556 352019244 /nfs/dbraw/zinc/01/92/44/352019244.db2.gz ASKUBZJXZNVSOE-SSDOTTSWSA-N 0 0 228.744 3.559 10 0 BHAERN CC1(C)C[C@H]1C(=O)Cc1sccc1Cl ZINC000307323558 352018893 /nfs/dbraw/zinc/01/88/93/352018893.db2.gz ASKUBZJXZNVSOE-ZETCQYMHSA-N 0 0 228.744 3.559 10 0 BHAERN Cc1cc(SC(F)(F)F)cc(O)c1C ZINC000307325934 352021438 /nfs/dbraw/zinc/02/14/38/352021438.db2.gz GXQZHDAHSSINEU-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN CCc1sc(=S)[nH]c1C1CCCC1 ZINC000307326871 352024985 /nfs/dbraw/zinc/02/49/85/352024985.db2.gz IKCSUJQCOQYRCQ-UHFFFAOYSA-N 0 0 213.371 3.652 10 0 BHAERN CC(F)(F)[C@H](N)c1cc(Cl)ccc1Cl ZINC000307330738 352047508 /nfs/dbraw/zinc/04/75/08/352047508.db2.gz YGLOKQDNGVKDKQ-MRVPVSSYSA-N 0 0 240.080 3.648 10 0 BHAERN CC(F)(F)[C@@H](N)c1cc(Cl)ccc1Cl ZINC000307330739 352046783 /nfs/dbraw/zinc/04/67/83/352046783.db2.gz YGLOKQDNGVKDKQ-QMMMGPOBSA-N 0 0 240.080 3.648 10 0 BHAERN CSc1cc(Cl)cc(OC(F)F)c1 ZINC000307340595 352078870 /nfs/dbraw/zinc/07/88/70/352078870.db2.gz TYWWOYQYKUSMPE-UHFFFAOYSA-N 0 0 224.659 3.663 10 0 BHAERN Cc1sc(Br)c(N)c1C(C)(C)C ZINC000307343298 352090255 /nfs/dbraw/zinc/09/02/55/352090255.db2.gz IQOGUUGSOIZBKQ-UHFFFAOYSA-N 0 0 248.189 3.699 10 0 BHAERN CCCC(=O)c1cc(F)c(Cl)c(F)c1 ZINC000307346873 352101461 /nfs/dbraw/zinc/10/14/61/352101461.db2.gz PNVCMSHPBQWBIF-UHFFFAOYSA-N 0 0 218.630 3.601 10 0 BHAERN CC1(C)CCC(CC(=O)C(F)(F)Cl)CC1 ZINC000307347974 372113997 /nfs/dbraw/zinc/11/39/97/372113997.db2.gz BAHBOOHOEFVOIO-UHFFFAOYSA-N 0 0 238.705 3.994 10 0 BHAERN Cc1c(Cl)cc(OC(F)F)cc1Cl ZINC000307348269 352112275 /nfs/dbraw/zinc/11/22/75/352112275.db2.gz CALQSYDTWLTWMK-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN Clc1sccc1-c1cncnc1Cl ZINC000307348984 352119440 /nfs/dbraw/zinc/11/94/40/352119440.db2.gz OJGYKKSOMVUYQA-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN Cc1c(F)ccc(OC(F)(F)F)c1Cl ZINC000307351977 352258558 /nfs/dbraw/zinc/25/85/58/352258558.db2.gz LKCTZGPSAGJKFQ-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN Cc1ccc(C(=O)C(F)(F)Cl)c(Cl)c1 ZINC000307352086 353070072 /nfs/dbraw/zinc/07/00/72/353070072.db2.gz QPXLIHIDNVYPKJ-UHFFFAOYSA-N 0 0 239.048 3.663 10 0 BHAERN CCc1cc(Cl)c2scc(C)c2n1 ZINC000307352315 353070084 /nfs/dbraw/zinc/07/00/84/353070084.db2.gz VGKMJKCULBSEHN-UHFFFAOYSA-N 0 0 211.717 3.821 10 0 BHAERN O=Cc1ccccc1-c1ccsc1Cl ZINC000307353007 643447215 /nfs/dbraw/zinc/44/72/15/643447215.db2.gz VSHYZBGQFBSNJE-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN Nc1ccc(-c2ccsc2Cl)cc1 ZINC000307355155 352324387 /nfs/dbraw/zinc/32/43/87/352324387.db2.gz TXWVCYXFYBTVQJ-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN CCc1cc2scc(C)c2nc1Cl ZINC000307360069 352354487 /nfs/dbraw/zinc/35/44/87/352354487.db2.gz FHWBCGKOJOZELI-UHFFFAOYSA-N 0 0 211.717 3.821 10 0 BHAERN C[C@@H]1CCC(=O)[C@@H](Cc2csc(Cl)c2)C1 ZINC000307363531 352447723 /nfs/dbraw/zinc/44/77/23/352447723.db2.gz HRKCMJDXMWIXLM-PSASIEDQSA-N 0 0 242.771 3.949 10 0 BHAERN C[C@@H]1CCC(=O)[C@H](Cc2csc(Cl)c2)C1 ZINC000307363532 352447770 /nfs/dbraw/zinc/44/77/70/352447770.db2.gz HRKCMJDXMWIXLM-SCZZXKLOSA-N 0 0 242.771 3.949 10 0 BHAERN C[C@H]1CCC(=O)[C@@H](Cc2csc(Cl)c2)C1 ZINC000307363533 352447732 /nfs/dbraw/zinc/44/77/32/352447732.db2.gz HRKCMJDXMWIXLM-WCBMZHEXSA-N 0 0 242.771 3.949 10 0 BHAERN C[C@H]1CCC(=O)[C@H](Cc2csc(Cl)c2)C1 ZINC000307363534 352447838 /nfs/dbraw/zinc/44/78/38/352447838.db2.gz HRKCMJDXMWIXLM-WPRPVWTQSA-N 0 0 242.771 3.949 10 0 BHAERN C[C@@H]1CCS[C@H](c2sccc2Cl)N1 ZINC000307364424 372115315 /nfs/dbraw/zinc/11/53/15/372115315.db2.gz KYMZIBMHYAASCT-HZGVNTEJSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@H]1CCS[C@H](c2sccc2Cl)N1 ZINC000307364425 372115504 /nfs/dbraw/zinc/11/55/04/372115504.db2.gz KYMZIBMHYAASCT-IMTBSYHQSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@@H]1CCS[C@@H](c2sccc2Cl)N1 ZINC000307364426 372115305 /nfs/dbraw/zinc/11/53/05/372115305.db2.gz KYMZIBMHYAASCT-MUWHJKNJSA-N 0 0 233.789 3.515 10 0 BHAERN C[C@H]1CCS[C@@H](c2sccc2Cl)N1 ZINC000307364427 372115489 /nfs/dbraw/zinc/11/54/89/372115489.db2.gz KYMZIBMHYAASCT-RCOVLWMOSA-N 0 0 233.789 3.515 10 0 BHAERN Oc1c(Cl)c(Cl)ccc1OC(F)(F)F ZINC000307368426 386194745 /nfs/dbraw/zinc/19/47/45/386194745.db2.gz NWDXLFWGFJNWIR-UHFFFAOYSA-N 0 0 246.999 3.598 10 0 BHAERN Cc1cc2c(cc1C)S[C@@H](C)CCN2 ZINC000307371291 352471116 /nfs/dbraw/zinc/47/11/16/352471116.db2.gz PTSKOUTYVOHLCV-JTQLQIEISA-N 0 0 207.342 3.600 10 0 BHAERN Cc1cc2c(cc1C)S[C@H](C)CCN2 ZINC000307371293 352471312 /nfs/dbraw/zinc/47/13/12/352471312.db2.gz PTSKOUTYVOHLCV-SNVBAGLBSA-N 0 0 207.342 3.600 10 0 BHAERN CC(C)CCc1ccc(N)cc1Br ZINC000307372646 352469864 /nfs/dbraw/zinc/46/98/64/352469864.db2.gz RGBVBPGHDPMERU-UHFFFAOYSA-N 0 0 242.160 3.620 10 0 BHAERN COC(C)(C)C(=O)c1ccc(Cl)cc1Cl ZINC000307374130 352472764 /nfs/dbraw/zinc/47/27/64/352472764.db2.gz SYLCPZGUYDOXST-UHFFFAOYSA-N 0 0 247.121 3.601 10 0 BHAERN Cc1cc(C)c(O)c(SC(F)(F)F)c1 ZINC000307377993 353071636 /nfs/dbraw/zinc/07/16/36/353071636.db2.gz WMNUHBXCUSJIQT-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN CC(C)(C)c1csc(CC2CCC2)n1 ZINC000307380065 352477113 /nfs/dbraw/zinc/47/71/13/352477113.db2.gz XWSQOZPBIVERRC-UHFFFAOYSA-N 0 0 209.358 3.783 10 0 BHAERN Cc1nc([C@H]2CC3CCC2CC3)cs1 ZINC000307380219 352476950 /nfs/dbraw/zinc/47/69/50/352476950.db2.gz FIYUSOIBMWPHCT-ILDUYXDCSA-N 0 0 207.342 3.745 10 0 BHAERN Cc1nc([C@@H]2CC3CCC2CC3)cs1 ZINC000307380220 352476918 /nfs/dbraw/zinc/47/69/18/352476918.db2.gz FIYUSOIBMWPHCT-VQXHTEKXSA-N 0 0 207.342 3.745 10 0 BHAERN FC(F)Oc1c2ncsc2ccc1Cl ZINC000307394074 352569197 /nfs/dbraw/zinc/56/91/97/352569197.db2.gz CNVBFMASEKRCRE-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN Oc1ccc(-c2ccsc2Cl)cc1 ZINC000307395420 372119071 /nfs/dbraw/zinc/11/90/71/372119071.db2.gz HLGWECDLOPKZQG-UHFFFAOYSA-N 0 0 210.685 3.774 10 0 BHAERN O=C(C[C@H]1CCCC1(F)F)c1cccs1 ZINC000307397826 386608772 /nfs/dbraw/zinc/60/87/72/386608772.db2.gz RSRRUHLPNZKVCG-MRVPVSSYSA-N 0 0 230.279 3.756 10 0 BHAERN O=C(C[C@@H]1CCCC1(F)F)c1cccs1 ZINC000307397827 386608723 /nfs/dbraw/zinc/60/87/23/386608723.db2.gz RSRRUHLPNZKVCG-QMMMGPOBSA-N 0 0 230.279 3.756 10 0 BHAERN Cc1cc(C(=O)CC2(C)CCC2)cs1 ZINC000307398424 398159677 /nfs/dbraw/zinc/15/96/77/398159677.db2.gz SWULQNYLHKMGBJ-UHFFFAOYSA-N 0 0 208.326 3.820 10 0 BHAERN CC(C)c1nc2c(s1)C[C@H](C)C[C@@H]2C ZINC000307398740 352571381 /nfs/dbraw/zinc/57/13/81/352571381.db2.gz ZBZAEMSLSFVIOX-BDAKNGLRSA-N 0 0 209.358 3.952 10 0 BHAERN CC(C)c1nc2c(s1)C[C@@H](C)C[C@H]2C ZINC000307398741 352571295 /nfs/dbraw/zinc/57/12/95/352571295.db2.gz ZBZAEMSLSFVIOX-DTWKUNHWSA-N 0 0 209.358 3.952 10 0 BHAERN CC(C)c1nc2c(s1)C[C@@H](C)C[C@@H]2C ZINC000307398742 352571288 /nfs/dbraw/zinc/57/12/88/352571288.db2.gz ZBZAEMSLSFVIOX-IUCAKERBSA-N 0 0 209.358 3.952 10 0 BHAERN CC(C)c1nc2c(s1)C[C@H](C)C[C@H]2C ZINC000307398743 352571491 /nfs/dbraw/zinc/57/14/91/352571491.db2.gz ZBZAEMSLSFVIOX-RKDXNWHRSA-N 0 0 209.358 3.952 10 0 BHAERN CC(=O)C[C@@H](C)c1ccc(Cl)c(C)c1F ZINC000307399518 352572085 /nfs/dbraw/zinc/57/20/85/352572085.db2.gz XAVSHEWCQADZPC-SSDOTTSWSA-N 0 0 228.694 3.870 10 0 BHAERN CC(=O)C[C@H](C)c1ccc(Cl)c(C)c1F ZINC000307399519 352572116 /nfs/dbraw/zinc/57/21/16/352572116.db2.gz XAVSHEWCQADZPC-ZETCQYMHSA-N 0 0 228.694 3.870 10 0 BHAERN CC(C)(C)c1cccc(Br)c1F ZINC000307400735 386608740 /nfs/dbraw/zinc/60/87/40/386608740.db2.gz BEWYVAHVUCCRLS-UHFFFAOYSA-N 0 0 231.108 3.886 10 0 BHAERN Oc1c(Cl)ccc(Cl)c1OC(F)(F)F ZINC000307402388 398163719 /nfs/dbraw/zinc/16/37/19/398163719.db2.gz AQLPINDDFZVHMM-UHFFFAOYSA-N 0 0 246.999 3.598 10 0 BHAERN Clc1nsnc1-c1ccsc1Cl ZINC000307405845 352581360 /nfs/dbraw/zinc/58/13/60/352581360.db2.gz MHSWDVLGKNVIAF-UHFFFAOYSA-N 0 0 237.136 3.573 10 0 BHAERN O=C(Cc1ccccc1)c1ccsc1Cl ZINC000307409193 352585331 /nfs/dbraw/zinc/58/53/31/352585331.db2.gz PLUGEZWPURQPPP-UHFFFAOYSA-N 0 0 236.723 3.827 10 0 BHAERN Clc1nc2c(s1)CCC21CCCC1 ZINC000307411127 372119650 /nfs/dbraw/zinc/11/96/50/372119650.db2.gz PTCJWKXVDUUPSG-UHFFFAOYSA-N 0 0 213.733 3.555 10 0 BHAERN Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000307411283 372119312 /nfs/dbraw/zinc/11/93/12/372119312.db2.gz FSUQJXBNTVLAHV-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN C[C@@H]1CCC[C@@H]1C(=O)Cc1sccc1Cl ZINC000307412500 352589309 /nfs/dbraw/zinc/58/93/09/352589309.db2.gz SOPQOPFXGJSABE-BDAKNGLRSA-N 0 0 242.771 3.949 10 0 BHAERN C[C@H]1CCC[C@H]1C(=O)Cc1sccc1Cl ZINC000307412513 352589232 /nfs/dbraw/zinc/58/92/32/352589232.db2.gz SOPQOPFXGJSABE-DTWKUNHWSA-N 0 0 242.771 3.949 10 0 BHAERN C[C@H]1CCC[C@@H]1C(=O)Cc1sccc1Cl ZINC000307412525 352589598 /nfs/dbraw/zinc/58/95/98/352589598.db2.gz SOPQOPFXGJSABE-IUCAKERBSA-N 0 0 242.771 3.949 10 0 BHAERN C[C@@H]1CCC[C@H]1C(=O)Cc1sccc1Cl ZINC000307412536 352589227 /nfs/dbraw/zinc/58/92/27/352589227.db2.gz SOPQOPFXGJSABE-RKDXNWHRSA-N 0 0 242.771 3.949 10 0 BHAERN CC1(COc2ccc(Cl)nc2)CCCC1 ZINC000307416361 372120334 /nfs/dbraw/zinc/12/03/34/372120334.db2.gz KDROQWVEKOWYEZ-UHFFFAOYSA-N 0 0 225.719 3.694 10 0 BHAERN C[C@@H]1C[C@H](Nc2ccsc2Cl)[C@@H]1C ZINC000307416496 386647926 /nfs/dbraw/zinc/64/79/26/386647926.db2.gz KIOTZAIHHKYXGR-BHNWBGBOSA-N 0 0 215.749 3.858 10 0 BHAERN C[C@@H]1C[C@@H](Nc2ccsc2Cl)[C@H]1C ZINC000307416498 386647913 /nfs/dbraw/zinc/64/79/13/386647913.db2.gz KIOTZAIHHKYXGR-BKPPORCPSA-N 0 0 215.749 3.858 10 0 BHAERN C[C@@H]1C[C@H](Nc2ccsc2Cl)[C@H]1C ZINC000307416499 386647171 /nfs/dbraw/zinc/64/71/71/386647171.db2.gz KIOTZAIHHKYXGR-FJXKBIBVSA-N 0 0 215.749 3.858 10 0 BHAERN C[C@@H]1C[C@@H](Nc2ccsc2Cl)[C@@H]1C ZINC000307416500 386648583 /nfs/dbraw/zinc/64/85/83/386648583.db2.gz KIOTZAIHHKYXGR-ZXFLCMHBSA-N 0 0 215.749 3.858 10 0 BHAERN CCNc1cc(Cl)cc(Br)c1 ZINC000307416746 352588787 /nfs/dbraw/zinc/58/87/87/352588787.db2.gz ZDXFNVRFDDRFGN-UHFFFAOYSA-N 0 0 234.524 3.534 10 0 BHAERN Cc1cc(SC(F)(F)F)c(C)cc1O ZINC000307420308 352590717 /nfs/dbraw/zinc/59/07/17/352590717.db2.gz LXAMTMGLDSBREQ-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN CCC(=O)c1cccc(C2=CCCC2)c1 ZINC000307420323 353076501 /nfs/dbraw/zinc/07/65/01/353076501.db2.gz NLHGZSGUHWUQDQ-UHFFFAOYSA-N 0 0 200.281 3.847 10 0 BHAERN Cc1cc(CC(=O)C2(C)CCCC2)cs1 ZINC000307422189 398164546 /nfs/dbraw/zinc/16/45/46/398164546.db2.gz SDCUBNQXJZFSKT-UHFFFAOYSA-N 0 0 222.353 3.748 10 0 BHAERN Cc1sc(Cl)nc1-c1ccsc1 ZINC000307424195 352592780 /nfs/dbraw/zinc/59/27/80/352592780.db2.gz PSGQOOVBFJBWIS-UHFFFAOYSA-N 0 0 215.730 3.833 10 0 BHAERN C[C@H]1CCNc2c(Br)cc(F)cc21 ZINC000307425129 353076123 /nfs/dbraw/zinc/07/61/23/353076123.db2.gz OJWRPWZYWHAOTA-LURJTMIESA-N 0 0 244.107 3.507 10 0 BHAERN C[C@@H]1CCNc2c(Br)cc(F)cc21 ZINC000307425130 352592360 /nfs/dbraw/zinc/59/23/60/352592360.db2.gz OJWRPWZYWHAOTA-ZCFIWIBFSA-N 0 0 244.107 3.507 10 0 BHAERN CCOc1cc(Cl)cc(Cl)c1F ZINC000307425353 352592669 /nfs/dbraw/zinc/59/26/69/352592669.db2.gz PKPDFOPRVFFEJF-UHFFFAOYSA-N 0 0 209.047 3.531 10 0 BHAERN Oc1cc(Cl)c(OC(F)(F)F)c(Cl)c1 ZINC000307425630 352592432 /nfs/dbraw/zinc/59/24/32/352592432.db2.gz FKGOQSCRSKNKFY-UHFFFAOYSA-N 0 0 246.999 3.598 10 0 BHAERN CSC(C)(C)[C@H](O)c1ccc(Cl)s1 ZINC000307429365 386650286 /nfs/dbraw/zinc/65/02/86/386650286.db2.gz UAYHCFOWHXCUCH-MRVPVSSYSA-N 0 0 236.789 3.577 10 0 BHAERN CSC(C)(C)[C@@H](O)c1ccc(Cl)s1 ZINC000307429366 386650300 /nfs/dbraw/zinc/65/03/00/386650300.db2.gz UAYHCFOWHXCUCH-QMMMGPOBSA-N 0 0 236.789 3.577 10 0 BHAERN CSc1cccc(Cl)c1OC(F)F ZINC000307435724 352596293 /nfs/dbraw/zinc/59/62/93/352596293.db2.gz QINQUOMKDAMEEE-UHFFFAOYSA-N 0 0 224.659 3.663 10 0 BHAERN Cc1cc(-c2csc(Cl)n2)cs1 ZINC000307435850 352595927 /nfs/dbraw/zinc/59/59/27/352595927.db2.gz KXBVEEFMLUHJOH-UHFFFAOYSA-N 0 0 215.730 3.833 10 0 BHAERN CCOc1c(F)c(F)c(F)c(Cl)c1Cl ZINC000307436244 352596278 /nfs/dbraw/zinc/59/62/78/352596278.db2.gz QTETUTVFMNMDEK-UHFFFAOYSA-N 0 0 245.027 3.809 10 0 BHAERN Cc1c(Cl)ccc2c1S[C@@H](C)CN2 ZINC000307436445 352595858 /nfs/dbraw/zinc/59/58/58/352595858.db2.gz PCTCSDYLMPYQEM-LURJTMIESA-N 0 0 213.733 3.555 10 0 BHAERN Cc1c(Cl)ccc2c1S[C@H](C)CN2 ZINC000307436447 352595841 /nfs/dbraw/zinc/59/58/41/352595841.db2.gz PCTCSDYLMPYQEM-ZCFIWIBFSA-N 0 0 213.733 3.555 10 0 BHAERN C/C(=C/Cl)CNc1ccsc1Cl ZINC000307440015 398167136 /nfs/dbraw/zinc/16/71/36/398167136.db2.gz WPKXYPWBHOKJNR-XQRVVYSFSA-N 0 0 222.140 3.956 10 0 BHAERN Cc1ccc(O)c(SC(F)(F)F)c1C ZINC000307440072 398167352 /nfs/dbraw/zinc/16/73/52/398167352.db2.gz WRTPLUKIUYCSPE-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN CCOc1c(C)ccc(Cl)c1Cl ZINC000307440101 398167723 /nfs/dbraw/zinc/16/77/23/398167723.db2.gz WWFCNGWDEYZAGR-UHFFFAOYSA-N 0 0 205.084 3.701 10 0 BHAERN CSc1cc(F)c(Cl)c(Cl)c1 ZINC000307442984 372120734 /nfs/dbraw/zinc/12/07/34/372120734.db2.gz TUBHTIQHRNNFNB-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN CSc1c(Cl)ccc(Cl)c1F ZINC000307443397 372122418 /nfs/dbraw/zinc/12/24/18/372122418.db2.gz UBAMBXNWNKKMCF-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN Fc1cccc(OCc2csc(Cl)n2)c1 ZINC000307444964 352601343 /nfs/dbraw/zinc/60/13/43/352601343.db2.gz DYICLAIMORKXNK-UHFFFAOYSA-N 0 0 243.690 3.515 10 0 BHAERN CSc1c(F)cc(Cl)cc1Cl ZINC000307446104 352602033 /nfs/dbraw/zinc/60/20/33/352602033.db2.gz GMPUFDWXACGBFO-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN Cc1c(Cl)ccc(N)c1SC(C)C ZINC000307446848 352602310 /nfs/dbraw/zinc/60/23/10/352602310.db2.gz IGJLRIVQXJNSMS-UHFFFAOYSA-N 0 0 215.749 3.731 10 0 BHAERN Cc1ccc(OC(F)(F)F)c(Cl)c1F ZINC000307448778 352602966 /nfs/dbraw/zinc/60/29/66/352602966.db2.gz ZGTFPTPBBJYVTD-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN CSc1c(F)ccc(Cl)c1Cl ZINC000307450184 398168664 /nfs/dbraw/zinc/16/86/64/398168664.db2.gz OULFRFXSOGLLOQ-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN Cc1cc(F)c(OC(F)(F)F)cc1Cl ZINC000307450638 352601359 /nfs/dbraw/zinc/60/13/59/352601359.db2.gz OVYXWMGGUCYUDT-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN CSc1cc(F)c(F)c(C(F)F)c1 ZINC000307452363 352606497 /nfs/dbraw/zinc/60/64/97/352606497.db2.gz VLUWFYVBKGTIKQ-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN CSc1cc(Cl)cc(Cl)c1F ZINC000307455182 353077536 /nfs/dbraw/zinc/07/75/36/353077536.db2.gz CHNDRQMAINGZPW-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN Cc1ccc(NC(C)C)c(F)c1Cl ZINC000307456399 372122509 /nfs/dbraw/zinc/12/25/09/372122509.db2.gz YAONVEJWTZYEIC-UHFFFAOYSA-N 0 0 201.672 3.608 10 0 BHAERN CCC1(C(=O)[C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000307457277 352608848 /nfs/dbraw/zinc/60/88/48/352608848.db2.gz FMUAOAQKEXCZSO-GRYCIOLGSA-N 0 0 208.345 3.818 10 0 BHAERN CCC1(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000307457278 352608839 /nfs/dbraw/zinc/60/88/39/352608839.db2.gz FMUAOAQKEXCZSO-IJLUTSLNSA-N 0 0 208.345 3.818 10 0 BHAERN CCC1(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000307457279 352608798 /nfs/dbraw/zinc/60/87/98/352608798.db2.gz FMUAOAQKEXCZSO-QJPTWQEYSA-N 0 0 208.345 3.818 10 0 BHAERN CCC1(C(=O)[C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000307457280 352608788 /nfs/dbraw/zinc/60/87/88/352608788.db2.gz FMUAOAQKEXCZSO-SDDRHHMPSA-N 0 0 208.345 3.818 10 0 BHAERN Cc1ccc(SC(F)(F)F)c(F)c1F ZINC000307460286 352609862 /nfs/dbraw/zinc/60/98/62/352609862.db2.gz HIYKXBMDFJLKDE-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN Cc1cc(NC/C=C/Cl)c(Cl)cc1F ZINC000307460661 352609864 /nfs/dbraw/zinc/60/98/64/352609864.db2.gz FCOYDZICVSWSGJ-NSCUHMNNSA-N 0 0 234.101 3.952 10 0 BHAERN Fc1cccc(Cl)c1-c1cscn1 ZINC000307462499 353078209 /nfs/dbraw/zinc/07/82/09/353078209.db2.gz JWGHWDPGIXKVER-UHFFFAOYSA-N 0 0 213.664 3.603 10 0 BHAERN FC(F)Oc1ccc2ncsc2c1Cl ZINC000307465103 352615173 /nfs/dbraw/zinc/61/51/73/352615173.db2.gz MGKIAHGJNCVOTN-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN CCc1c(F)c(Cl)c(F)c(F)c1Cl ZINC000307465475 352615109 /nfs/dbraw/zinc/61/51/09/352615109.db2.gz DCAKCSOJDVKSPK-UHFFFAOYSA-N 0 0 229.028 3.973 10 0 BHAERN Cc1cc(OC(F)F)c(Cl)cc1Cl ZINC000307466071 352616136 /nfs/dbraw/zinc/61/61/36/352616136.db2.gz NOVITOINJUGOHQ-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN Cc1cc(F)c(Cl)c(C(F)(F)F)c1 ZINC000307469175 353078291 /nfs/dbraw/zinc/07/82/91/353078291.db2.gz SQIORFZCPMRTAI-UHFFFAOYSA-N 0 0 212.573 3.806 10 0 BHAERN CC1CCC(CC(=O)c2cscn2)CC1 ZINC000307471298 352612593 /nfs/dbraw/zinc/61/25/93/352612593.db2.gz XEONSPGOKKKORT-UHFFFAOYSA-N 0 0 223.341 3.542 10 0 BHAERN Cc1cc(F)cc(SC(F)(F)F)c1F ZINC000307471385 352612989 /nfs/dbraw/zinc/61/29/89/352612989.db2.gz RFTXLVMJICQWIO-UHFFFAOYSA-N 0 0 228.185 3.885 10 0 BHAERN FC(F)Oc1cc2ncsc2cc1Cl ZINC000307472545 353078816 /nfs/dbraw/zinc/07/88/16/353078816.db2.gz ZQBMXKBUNSMQPB-UHFFFAOYSA-N 0 0 235.642 3.551 10 0 BHAERN CC1(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC000307475816 353078701 /nfs/dbraw/zinc/07/87/01/353078701.db2.gz YQKOTTRYAMDYDQ-UHFFFAOYSA-N 0 0 208.345 3.962 10 0 BHAERN Cc1cc(C(=O)C2(C)CC2)sc1Cl ZINC000307476085 398170658 /nfs/dbraw/zinc/17/06/58/398170658.db2.gz KWXNMMZVDVPWDD-UHFFFAOYSA-N 0 0 214.717 3.693 10 0 BHAERN CCC1CCC(c2nnc(Cl)s2)CC1 ZINC000307476422 398170415 /nfs/dbraw/zinc/17/04/15/398170415.db2.gz CDHDBTGSDMXAEI-UHFFFAOYSA-N 0 0 230.764 3.875 10 0 BHAERN O=C(c1csc(Cl)c1)C1CCCC1 ZINC000307478101 352618223 /nfs/dbraw/zinc/61/82/23/352618223.db2.gz IKIYJECUMZTISD-UHFFFAOYSA-N 0 0 214.717 3.774 10 0 BHAERN Cc1ccc(C)c(C(=O)CC2(C)CC2)c1 ZINC000307483695 352620019 /nfs/dbraw/zinc/62/00/19/352620019.db2.gz ASBNRWKXXGNGMK-UHFFFAOYSA-N 0 0 202.297 3.676 10 0 BHAERN Cc1c(Cl)c(F)ccc1OC(F)(F)F ZINC000307485779 352619866 /nfs/dbraw/zinc/61/98/66/352619866.db2.gz BAECTAIAXJIFAF-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN O=Cc1cccc(-c2ccsc2Cl)c1 ZINC000307486841 635989168 /nfs/dbraw/zinc/98/91/68/635989168.db2.gz VISSEHYWRSVJEO-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN Cc1ccc(Br)c2c1NCC[C@H]2C ZINC000307493265 386686478 /nfs/dbraw/zinc/68/64/78/386686478.db2.gz ZQYUROVDSBEXCW-SSDOTTSWSA-N 0 0 240.144 3.677 10 0 BHAERN Cc1ccc(Br)c2c1NCC[C@@H]2C ZINC000307493269 386686215 /nfs/dbraw/zinc/68/62/15/386686215.db2.gz ZQYUROVDSBEXCW-ZETCQYMHSA-N 0 0 240.144 3.677 10 0 BHAERN C[C@@H]1CC(c2sccc2Cl)=C[C@@H](O)C1 ZINC000307495936 353079252 /nfs/dbraw/zinc/07/92/52/353079252.db2.gz IUKKTRAYHGOQQN-APPZFPTMSA-N 0 0 228.744 3.576 10 0 BHAERN C[C@H]1CC(c2sccc2Cl)=C[C@@H](O)C1 ZINC000307495942 352625371 /nfs/dbraw/zinc/62/53/71/352625371.db2.gz IUKKTRAYHGOQQN-CBAPKCEASA-N 0 0 228.744 3.576 10 0 BHAERN C[C@H]1CC(c2sccc2Cl)=C[C@H](O)C1 ZINC000307495948 352625336 /nfs/dbraw/zinc/62/53/36/352625336.db2.gz IUKKTRAYHGOQQN-IONNQARKSA-N 0 0 228.744 3.576 10 0 BHAERN C[C@@H]1CC(c2sccc2Cl)=C[C@H](O)C1 ZINC000307495954 353079525 /nfs/dbraw/zinc/07/95/25/353079525.db2.gz IUKKTRAYHGOQQN-VXNVDRBHSA-N 0 0 228.744 3.576 10 0 BHAERN CSc1cc(Cl)c(F)c(Cl)c1 ZINC000307497053 386689101 /nfs/dbraw/zinc/68/91/01/386689101.db2.gz CZAXQRRXTJPCOB-UHFFFAOYSA-N 0 0 211.088 3.854 10 0 BHAERN CC[C@@H]1CS[C@H](c2sccc2Cl)N1 ZINC000307497183 386690308 /nfs/dbraw/zinc/69/03/08/386690308.db2.gz GGBKOAUYOJGGIE-HZGVNTEJSA-N 0 0 233.789 3.515 10 0 BHAERN CC[C@H]1CS[C@H](c2sccc2Cl)N1 ZINC000307497184 386688237 /nfs/dbraw/zinc/68/82/37/386688237.db2.gz GGBKOAUYOJGGIE-IMTBSYHQSA-N 0 0 233.789 3.515 10 0 BHAERN CC[C@@H]1CS[C@@H](c2sccc2Cl)N1 ZINC000307497185 386690158 /nfs/dbraw/zinc/69/01/58/386690158.db2.gz GGBKOAUYOJGGIE-MUWHJKNJSA-N 0 0 233.789 3.515 10 0 BHAERN CC[C@H]1CS[C@@H](c2sccc2Cl)N1 ZINC000307497186 386689828 /nfs/dbraw/zinc/68/98/28/386689828.db2.gz GGBKOAUYOJGGIE-RCOVLWMOSA-N 0 0 233.789 3.515 10 0 BHAERN Cc1c(Cl)c(Cl)ccc1OC(F)F ZINC000307497830 352625779 /nfs/dbraw/zinc/62/57/79/352625779.db2.gz JYMRZAKDLRPPNG-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN CCOc1cc(F)c(Cl)cc1Cl ZINC000307498073 352625891 /nfs/dbraw/zinc/62/58/91/352625891.db2.gz PFCSTJUZEAZHMA-UHFFFAOYSA-N 0 0 209.047 3.531 10 0 BHAERN CC(C)C(=O)[C@H](C)c1c(F)cccc1Cl ZINC000307498652 352626026 /nfs/dbraw/zinc/62/60/26/352626026.db2.gz LFXBWQGSMPWQIJ-MRVPVSSYSA-N 0 0 228.694 3.808 10 0 BHAERN CC(C)C(=O)[C@@H](C)c1c(F)cccc1Cl ZINC000307498655 352626020 /nfs/dbraw/zinc/62/60/20/352626020.db2.gz LFXBWQGSMPWQIJ-QMMMGPOBSA-N 0 0 228.694 3.808 10 0 BHAERN CSc1c(F)ccc(C(F)F)c1F ZINC000307499417 352627063 /nfs/dbraw/zinc/62/70/63/352627063.db2.gz HEICIAOXOLHUNJ-UHFFFAOYSA-N 0 0 210.195 3.624 10 0 BHAERN CC(C)(C)C(=O)Cc1sccc1Cl ZINC000307508179 352631562 /nfs/dbraw/zinc/63/15/62/352631562.db2.gz BHYIMYFTNVWVDO-UHFFFAOYSA-N 0 0 216.733 3.559 10 0 BHAERN CC1(CC(=O)c2ccc(Cl)o2)CCC1 ZINC000307508300 352627554 /nfs/dbraw/zinc/62/75/54/352627554.db2.gz RUHGZGNFTUBZSW-UHFFFAOYSA-N 0 0 212.676 3.696 10 0 BHAERN CCC(C)(C)CNc1cc(Cl)nc(Cl)n1 ZINC000307508948 352627514 /nfs/dbraw/zinc/62/75/14/352627514.db2.gz RWMCFTBYAOITLB-UHFFFAOYSA-N 0 0 248.157 3.632 10 0 BHAERN CC(C)=CCOc1cc(F)ccc1Cl ZINC000307509032 352627879 /nfs/dbraw/zinc/62/78/79/352627879.db2.gz SFZYSVMMLZFGMD-UHFFFAOYSA-N 0 0 214.667 3.824 10 0 BHAERN CC(C)[C@H](C)c1nc(Cl)cc(Cl)n1 ZINC000307509177 352628305 /nfs/dbraw/zinc/62/83/05/352628305.db2.gz VFXILPYVWJAINT-LURJTMIESA-N 0 0 219.115 3.543 10 0 BHAERN CC(C)[C@@H](C)c1nc(Cl)cc(Cl)n1 ZINC000307509179 352628299 /nfs/dbraw/zinc/62/82/99/352628299.db2.gz VFXILPYVWJAINT-ZCFIWIBFSA-N 0 0 219.115 3.543 10 0 BHAERN Cc1cc(O)cc(C)c1SC(F)(F)F ZINC000307510699 352628492 /nfs/dbraw/zinc/62/84/92/352628492.db2.gz OQSTYHWVYOLRBR-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN CC(C)(C)C(C)(C)Nc1cccc(Cl)n1 ZINC000307520951 352635888 /nfs/dbraw/zinc/63/58/88/352635888.db2.gz SHGZPDALFONNDU-UHFFFAOYSA-N 0 0 226.751 3.972 10 0 BHAERN Cc1ccc(Cl)c(OC(F)F)c1Cl ZINC000307525746 352635136 /nfs/dbraw/zinc/63/51/36/352635136.db2.gz HZBVOUYAMODONV-UHFFFAOYSA-N 0 0 227.037 3.903 10 0 BHAERN CC(C)(C)c1nc2c(s1)CCC2(C)C ZINC000307531616 352638563 /nfs/dbraw/zinc/63/85/63/352638563.db2.gz VRNAXFFSDHAPTN-UHFFFAOYSA-N 0 0 209.358 3.664 10 0 BHAERN CCOc1c(Cl)ccc(F)c1Cl ZINC000307532334 353081232 /nfs/dbraw/zinc/08/12/32/353081232.db2.gz YFHIWBMMKRJCNJ-UHFFFAOYSA-N 0 0 209.047 3.531 10 0 BHAERN CC[C@@H](C)Nc1cc(F)cc(Br)c1 ZINC000307536544 352641082 /nfs/dbraw/zinc/64/10/82/352641082.db2.gz IVVNNLRNJZZVCL-SSDOTTSWSA-N 0 0 246.123 3.799 10 0 BHAERN CC[C@H](C)Nc1cc(F)cc(Br)c1 ZINC000307536548 352641917 /nfs/dbraw/zinc/64/19/17/352641917.db2.gz IVVNNLRNJZZVCL-ZETCQYMHSA-N 0 0 246.123 3.799 10 0 BHAERN CC1(CC(=O)c2cccc(F)c2)CCC1 ZINC000307538414 352643537 /nfs/dbraw/zinc/64/35/37/352643537.db2.gz WPLWCMLYQDDIJQ-UHFFFAOYSA-N 0 0 206.260 3.589 10 0 BHAERN Fc1cc(Cl)ccc1-c1cnc(Cl)cn1 ZINC000307541851 537923502 /nfs/dbraw/zinc/92/35/02/537923502.db2.gz SLJFKDSRYRVRBB-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Fc1ccc(-c2cscn2)c(Cl)c1 ZINC000307543302 352644428 /nfs/dbraw/zinc/64/44/28/352644428.db2.gz USSSVNLDGGZZCI-UHFFFAOYSA-N 0 0 213.664 3.603 10 0 BHAERN CC1(CNc2cccc(Cl)c2)CCC1 ZINC000307545098 352646738 /nfs/dbraw/zinc/64/67/38/352646738.db2.gz AKJFIYDZUYILGZ-UHFFFAOYSA-N 0 0 209.720 3.942 10 0 BHAERN CCNc1c(F)cc(Cl)cc1Cl ZINC000307552341 352648023 /nfs/dbraw/zinc/64/80/23/352648023.db2.gz QEYRUBKCNSMENG-UHFFFAOYSA-N 0 0 208.063 3.564 10 0 BHAERN Clc1cc(-c2ccnc(Cl)n2)cs1 ZINC000307553667 352648196 /nfs/dbraw/zinc/64/81/96/352648196.db2.gz LLSCBJLDGJFZMM-UHFFFAOYSA-N 0 0 231.107 3.512 10 0 BHAERN Clc1cc(Br)cc(NC2CC2)c1 ZINC000307555719 352647966 /nfs/dbraw/zinc/64/79/66/352647966.db2.gz YGYAJAACSAFGOZ-UHFFFAOYSA-N 0 0 246.535 3.677 10 0 BHAERN CCC(C)(C)c1csc([C@H]2C[C@H]2C)n1 ZINC000307555743 353084294 /nfs/dbraw/zinc/08/42/94/353084294.db2.gz TWLIYPAKOFJXEG-BDAKNGLRSA-N 0 0 209.358 3.954 10 0 BHAERN CCC(C)(C)c1csc([C@@H]2C[C@@H]2C)n1 ZINC000307555747 352648152 /nfs/dbraw/zinc/64/81/52/352648152.db2.gz TWLIYPAKOFJXEG-DTWKUNHWSA-N 0 0 209.358 3.954 10 0 BHAERN CCC(C)(C)c1csc([C@H]2C[C@@H]2C)n1 ZINC000307555750 352648229 /nfs/dbraw/zinc/64/82/29/352648229.db2.gz TWLIYPAKOFJXEG-IUCAKERBSA-N 0 0 209.358 3.954 10 0 BHAERN CCC(C)(C)c1csc([C@@H]2C[C@H]2C)n1 ZINC000307555754 352648181 /nfs/dbraw/zinc/64/81/81/352648181.db2.gz TWLIYPAKOFJXEG-RKDXNWHRSA-N 0 0 209.358 3.954 10 0 BHAERN CC(C)CNc1cc(F)cc(Br)c1 ZINC000307570122 398176031 /nfs/dbraw/zinc/17/60/31/398176031.db2.gz YVDAMYISVYOIBW-UHFFFAOYSA-N 0 0 246.123 3.656 10 0 BHAERN Cc1sc(Cl)c(N)c1[C@@H]1CC1(C)C ZINC000307579804 398176755 /nfs/dbraw/zinc/17/67/55/398176755.db2.gz VRXRQJFVWVSELS-LURJTMIESA-N 0 0 215.749 3.806 10 0 BHAERN Cc1sc(Cl)c(N)c1[C@H]1CC1(C)C ZINC000307579805 398176676 /nfs/dbraw/zinc/17/66/76/398176676.db2.gz VRXRQJFVWVSELS-ZCFIWIBFSA-N 0 0 215.749 3.806 10 0 BHAERN Cc1ccccc1C(=O)[C@@H](C)C(C)(C)C ZINC000307580532 352659403 /nfs/dbraw/zinc/65/94/03/352659403.db2.gz XUTLNUWRXNINQT-LLVKDONJSA-N 0 0 204.313 3.860 10 0 BHAERN Cc1ccccc1C(=O)[C@H](C)C(C)(C)C ZINC000307580533 352659391 /nfs/dbraw/zinc/65/93/91/352659391.db2.gz XUTLNUWRXNINQT-NSHDSACASA-N 0 0 204.313 3.860 10 0 BHAERN CC(C)(F)C(=O)c1c(Cl)ccc(F)c1F ZINC000307583248 386735342 /nfs/dbraw/zinc/73/53/42/386735342.db2.gz XZDFGVUIBLVRIF-UHFFFAOYSA-N 0 0 236.620 3.549 10 0 BHAERN c1cc(NCCCOCc2ccccc2)cs1 ZINC000307586492 352661382 /nfs/dbraw/zinc/66/13/82/352661382.db2.gz PWHSXGSZZCBVIH-UHFFFAOYSA-N 0 0 247.363 3.767 10 0 BHAERN Cc1cc(C=O)ccc1C1=CCCCC1 ZINC000307600358 352666179 /nfs/dbraw/zinc/66/61/79/352666179.db2.gz SMTFQBHNTUUVBH-UHFFFAOYSA-N 0 0 200.281 3.765 10 0 BHAERN CCN(CC(C)(C)C)C(=O)OCc1ccccc1 ZINC000307607693 352669151 /nfs/dbraw/zinc/66/91/51/352669151.db2.gz CHRLMPHUUCOYKL-UHFFFAOYSA-N 0 0 249.354 3.691 10 0 BHAERN Cc1ccc(C)c(C(=O)CC(C)(F)F)c1 ZINC000307614461 398205375 /nfs/dbraw/zinc/20/53/75/398205375.db2.gz OOUVAZPKHPTGDO-UHFFFAOYSA-N 0 0 212.239 3.531 10 0 BHAERN CC(C)(C)[C@](C)(O)Cc1sccc1Cl ZINC000307616274 352674174 /nfs/dbraw/zinc/67/41/74/352674174.db2.gz PVOCMMTTYJASLV-LLVKDONJSA-N 0 0 232.776 3.741 10 0 BHAERN CC(C)(C)[C@@](C)(O)Cc1sccc1Cl ZINC000307616275 352674268 /nfs/dbraw/zinc/67/42/68/352674268.db2.gz PVOCMMTTYJASLV-NSHDSACASA-N 0 0 232.776 3.741 10 0 BHAERN CCC1(C(=O)c2cc(C)ns2)CCCC1 ZINC000307617546 372132006 /nfs/dbraw/zinc/13/20/06/372132006.db2.gz WKEJGIMZOVJIKH-UHFFFAOYSA-N 0 0 223.341 3.605 10 0 BHAERN Clc1cc(-c2nnc(Cl)s2)cs1 ZINC000307619782 353087849 /nfs/dbraw/zinc/08/78/49/353087849.db2.gz ZGMQXRTYGNVBJZ-UHFFFAOYSA-N 0 0 237.136 3.573 10 0 BHAERN CCC(CC)Nc1cccc(N)c1Cl ZINC000307620996 352691051 /nfs/dbraw/zinc/69/10/51/352691051.db2.gz ONOPAQDEQUHCHY-UHFFFAOYSA-N 0 0 212.724 3.523 10 0 BHAERN CC(C)(C)C(C)(C)c1nc(Cl)ns1 ZINC000307625229 352702561 /nfs/dbraw/zinc/70/25/61/352702561.db2.gz JHEFJTGGIOFGCV-UHFFFAOYSA-N 0 0 218.753 3.515 10 0 BHAERN Cc1ccc(O)c(C)c1SC(F)(F)F ZINC000307630505 352712472 /nfs/dbraw/zinc/71/24/72/352712472.db2.gz WPSPYOOGXGQFPP-UHFFFAOYSA-N 0 0 222.231 3.621 10 0 BHAERN Cc1cc(Cl)c(F)c(OC(F)(F)F)c1 ZINC000307635483 343955882 /nfs/dbraw/zinc/95/58/82/343955882.db2.gz RSPCKLXIDKZOPE-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN CC(=O)c1sc([C@@H](C)C(C)(C)C)nc1C ZINC000307637098 386961748 /nfs/dbraw/zinc/96/17/48/386961748.db2.gz VVYSIDRASYJJCB-SSDOTTSWSA-N 0 0 225.357 3.804 10 0 BHAERN CC(=O)c1sc([C@H](C)C(C)(C)C)nc1C ZINC000307637099 386961186 /nfs/dbraw/zinc/96/11/86/386961186.db2.gz VVYSIDRASYJJCB-ZETCQYMHSA-N 0 0 225.357 3.804 10 0 BHAERN Brc1c2c(cc3ccccc31)CCN2 ZINC000307639635 352725929 /nfs/dbraw/zinc/72/59/29/352725929.db2.gz CHXNWUVNBQFQNY-UHFFFAOYSA-N 0 0 248.123 3.570 10 0 BHAERN Cc1cc(OC(F)(F)F)c(Cl)cc1F ZINC000307649775 353090464 /nfs/dbraw/zinc/09/04/64/353090464.db2.gz IUQSLNASAGSRKH-UHFFFAOYSA-N 0 0 228.572 3.686 10 0 BHAERN C/C=C/Sc1nccc2ccccc21 ZINC000307652280 345878146 /nfs/dbraw/zinc/87/81/46/345878146.db2.gz NNFGHAKXYAMYOT-XNWCZRBMSA-N 0 0 201.294 3.861 10 0 BHAERN CCOc1c(F)c(F)c(Cl)c(F)c1Cl ZINC000307671432 385974017 /nfs/dbraw/zinc/97/40/17/385974017.db2.gz SVYKPZKPZIPJAM-UHFFFAOYSA-N 0 0 245.027 3.809 10 0 BHAERN CC(C)c1nc2c(s1)CC(C)(C)CC2 ZINC000307675318 353092120 /nfs/dbraw/zinc/09/21/20/353092120.db2.gz FMVDIYLYAZKEFP-UHFFFAOYSA-N 0 0 209.358 3.781 10 0 BHAERN CC(C)(C)Sc1cc(Cl)nc(Cl)n1 ZINC000307677477 352755058 /nfs/dbraw/zinc/75/50/58/352755058.db2.gz LWBVATXHKIRXIZ-UHFFFAOYSA-N 0 0 237.155 3.674 10 0 BHAERN Cc1cc(CC(=O)c2ccc(Cl)o2)cs1 ZINC000307678351 372137577 /nfs/dbraw/zinc/13/75/77/372137577.db2.gz KNNMCNVJKXEEOC-UHFFFAOYSA-N 0 0 240.711 3.728 10 0 BHAERN CC(C)(F)C(=O)CC1CCC(C)(C)CC1 ZINC000307684765 352863932 /nfs/dbraw/zinc/86/39/32/352863932.db2.gz WNABGFHSXAQLCC-UHFFFAOYSA-N 0 0 214.324 3.910 10 0 BHAERN S=c1cnc(-c2ccc(Cl)s2)c[nH]1 ZINC000307686631 353093029 /nfs/dbraw/zinc/09/30/29/353093029.db2.gz BBLGCPXWGCDDRR-UHFFFAOYSA-N 0 0 228.729 3.521 10 0 BHAERN CSC(C)(C)C(=O)C1CCC(C)CC1 ZINC000307690217 352933582 /nfs/dbraw/zinc/93/35/82/352933582.db2.gz LZSCDQOPLDYZEL-UHFFFAOYSA-N 0 0 214.374 3.523 10 0 BHAERN CCC1([C@H](O)c2ccc(Cl)s2)CC1 ZINC000307697211 372139622 /nfs/dbraw/zinc/13/96/22/372139622.db2.gz GAJVBOBVJIRNHE-SECBINFHSA-N 0 0 216.733 3.625 10 0 BHAERN CCC1([C@@H](O)c2ccc(Cl)s2)CC1 ZINC000307697212 372138818 /nfs/dbraw/zinc/13/88/18/372138818.db2.gz GAJVBOBVJIRNHE-VIFPVBQESA-N 0 0 216.733 3.625 10 0 BHAERN Cc1cc([C@H](O)[C@H](C)C(C)(C)C)cs1 ZINC000307698038 352956381 /nfs/dbraw/zinc/95/63/81/352956381.db2.gz MKYIGVJTOFPCLU-GXSJLCMTSA-N 0 0 212.358 3.772 10 0 BHAERN Cc1cc([C@@H](O)[C@@H](C)C(C)(C)C)cs1 ZINC000307698039 352956462 /nfs/dbraw/zinc/95/64/62/352956462.db2.gz MKYIGVJTOFPCLU-KOLCDFICSA-N 0 0 212.358 3.772 10 0 BHAERN Cc1cc([C@H](O)[C@@H](C)C(C)(C)C)cs1 ZINC000307698040 352956511 /nfs/dbraw/zinc/95/65/11/352956511.db2.gz MKYIGVJTOFPCLU-MWLCHTKSSA-N 0 0 212.358 3.772 10 0 BHAERN Cc1cc([C@@H](O)[C@H](C)C(C)(C)C)cs1 ZINC000307698041 352956085 /nfs/dbraw/zinc/95/60/85/352956085.db2.gz MKYIGVJTOFPCLU-ONGXEEELSA-N 0 0 212.358 3.772 10 0 BHAERN Cc1cc(C(=O)C(C)(C)F)sc1Cl ZINC000307719611 353108477 /nfs/dbraw/zinc/10/84/77/353108477.db2.gz NLCZAWYBTNYREI-UHFFFAOYSA-N 0 0 220.696 3.641 10 0 BHAERN CCC1(Nc2cc(Cl)nc(Cl)n2)CCC1 ZINC000307721992 353110924 /nfs/dbraw/zinc/11/09/24/353110924.db2.gz RMIPESORTAWVEP-UHFFFAOYSA-N 0 0 246.141 3.528 10 0 BHAERN O=C1CCc2ccc(-c3ccsc3)cc21 ZINC000307724279 353112058 /nfs/dbraw/zinc/11/20/58/353112058.db2.gz XUCKOENJCSOKHU-UHFFFAOYSA-N 0 0 214.289 3.544 10 0 BHAERN C[C@H]([C@@H](O)c1ccc(Cl)s1)C(C)(F)F ZINC000307732080 372142992 /nfs/dbraw/zinc/14/29/92/372142992.db2.gz KXMYLIWGRJCYMJ-SVGQVSJJSA-N 0 0 240.702 3.726 10 0 BHAERN C[C@@H]([C@H](O)c1ccc(Cl)s1)C(C)(F)F ZINC000307732082 372142539 /nfs/dbraw/zinc/14/25/39/372142539.db2.gz KXMYLIWGRJCYMJ-XNCJUZBTSA-N 0 0 240.702 3.726 10 0 BHAERN C[C@H]([C@H](O)c1ccc(Cl)s1)C(C)(F)F ZINC000307732083 372142672 /nfs/dbraw/zinc/14/26/72/372142672.db2.gz KXMYLIWGRJCYMJ-XRGYYRRGSA-N 0 0 240.702 3.726 10 0 BHAERN C[C@@H]([C@@H](O)c1ccc(Cl)s1)C(C)(F)F ZINC000307732084 372142530 /nfs/dbraw/zinc/14/25/30/372142530.db2.gz KXMYLIWGRJCYMJ-YLWLKBPMSA-N 0 0 240.702 3.726 10 0 BHAERN CC1(C)C[C@H]1c1csc(Br)c1N ZINC000307736322 353121350 /nfs/dbraw/zinc/12/13/50/353121350.db2.gz ZXQCRWNPRFSSAN-LURJTMIESA-N 0 0 246.173 3.606 10 0 BHAERN CC1(C)C[C@@H]1c1csc(Br)c1N ZINC000307736323 353121982 /nfs/dbraw/zinc/12/19/82/353121982.db2.gz ZXQCRWNPRFSSAN-ZCFIWIBFSA-N 0 0 246.173 3.606 10 0 BHAERN CC(C)(C)C(C)(C)[C@@H](O)c1ccsc1 ZINC000307739922 353122028 /nfs/dbraw/zinc/12/20/28/353122028.db2.gz ZPXOUWJGYWASGX-JTQLQIEISA-N 0 0 212.358 3.854 10 0 BHAERN CC(C)(C)C(C)(C)[C@H](O)c1ccsc1 ZINC000307739924 353121718 /nfs/dbraw/zinc/12/17/18/353121718.db2.gz ZPXOUWJGYWASGX-SNVBAGLBSA-N 0 0 212.358 3.854 10 0 BHAERN O=C(c1cc(Cl)cc(F)c1Cl)C(F)F ZINC000307743442 353099444 /nfs/dbraw/zinc/09/94/44/353099444.db2.gz MEKICVXAEMDREU-UHFFFAOYSA-N 0 0 243.011 3.580 10 0 BHAERN Cc1ccc(OCC2CC2)cc1Br ZINC000307745860 345933763 /nfs/dbraw/zinc/93/37/63/345933763.db2.gz SYDIZIHZEVWOMO-UHFFFAOYSA-N 0 0 241.128 3.546 10 0 BHAERN Cc1cccc(Cl)c1C(=O)CC(C)C ZINC000307748352 353125648 /nfs/dbraw/zinc/12/56/48/353125648.db2.gz BKIIAZMDFOIMAK-UHFFFAOYSA-N 0 0 210.704 3.877 10 0 BHAERN CCC(C)(C)[C@@H]1CCc2ncsc2C1 ZINC000307749443 353126750 /nfs/dbraw/zinc/12/67/50/353126750.db2.gz GQZMUZKBDJBRKB-SECBINFHSA-N 0 0 209.358 3.684 10 0 BHAERN CCC(C)(C)[C@H]1CCc2ncsc2C1 ZINC000307749444 353126747 /nfs/dbraw/zinc/12/67/47/353126747.db2.gz GQZMUZKBDJBRKB-VIFPVBQESA-N 0 0 209.358 3.684 10 0 BHAERN C[C@H]1CCNc2cc(F)c(Br)cc21 ZINC000307751915 353128586 /nfs/dbraw/zinc/12/85/86/353128586.db2.gz PSMOMKKKNUXZOK-LURJTMIESA-N 0 0 244.107 3.507 10 0 BHAERN C[C@@H]1CCNc2cc(F)c(Br)cc21 ZINC000307751916 353128489 /nfs/dbraw/zinc/12/84/89/353128489.db2.gz PSMOMKKKNUXZOK-ZCFIWIBFSA-N 0 0 244.107 3.507 10 0 BHAERN CCC1(C(=O)c2cc(F)ccc2C)CC1 ZINC000307753485 353129186 /nfs/dbraw/zinc/12/91/86/353129186.db2.gz VYVYZJNEVJHKGD-UHFFFAOYSA-N 0 0 206.260 3.507 10 0 BHAERN C[C@H]1CC[C@H](Nc2csc(Cl)n2)CC1 ZINC000307757590 353130655 /nfs/dbraw/zinc/13/06/55/353130655.db2.gz LVXGFICOIHJJOY-ZKCHVHJHSA-N 0 0 230.764 3.787 10 0 BHAERN CSc1c(Cl)cccc1NC1CSC1 ZINC000307760533 353100423 /nfs/dbraw/zinc/10/04/23/353100423.db2.gz WCTHCNARJGBKAT-UHFFFAOYSA-N 0 0 245.800 3.589 10 0 BHAERN CC(C)(C)SCCc1cccs1 ZINC000307959197 346732037 /nfs/dbraw/zinc/73/20/37/346732037.db2.gz IVIFDFXNHYEPJS-UHFFFAOYSA-N 0 0 200.372 3.822 10 0 BHAERN CSc1cccc(NC/C=C\Cl)c1 ZINC000308098141 353824825 /nfs/dbraw/zinc/82/48/25/353824825.db2.gz BBKCVGBKDLKVSG-UTCJRWHESA-N 0 0 213.733 3.573 10 0 BHAERN C/C(=C\[C@@H](C)O)c1cc(Cl)sc1Cl ZINC000308103407 353881593 /nfs/dbraw/zinc/88/15/93/353881593.db2.gz JSLQAVGHRHRBNS-MXTDHUQFSA-N 0 0 237.151 3.839 10 0 BHAERN C/C(=C\[C@H](C)O)c1cc(Cl)sc1Cl ZINC000308103408 353881889 /nfs/dbraw/zinc/88/18/89/353881889.db2.gz JSLQAVGHRHRBNS-QVQDZQDPSA-N 0 0 237.151 3.839 10 0 BHAERN C/C(=C/Cl)C[C@@H]1C[C@@H](C)CCC1=O ZINC000308108388 350462581 /nfs/dbraw/zinc/46/25/81/350462581.db2.gz JTJHOTMOBLNSCL-ISSFJBMQSA-N 0 0 200.709 3.524 10 0 BHAERN C/C(=C/Cl)C[C@@H]1C[C@H](C)CCC1=O ZINC000308108389 346799059 /nfs/dbraw/zinc/79/90/59/346799059.db2.gz JTJHOTMOBLNSCL-NHZNNNNFSA-N 0 0 200.709 3.524 10 0 BHAERN CCCC/C=C\C(F)(F)C(F)(F)F ZINC000308140594 354203790 /nfs/dbraw/zinc/20/37/90/354203790.db2.gz KYGQVLWOZCCROB-WAYWQWQTSA-N 0 0 202.166 3.930 10 0 BHAERN C/C(=C\Cl)CSc1ccccc1N ZINC000308154089 354381504 /nfs/dbraw/zinc/38/15/04/354381504.db2.gz NRZGWBWMDPZVIG-SOFGYWHQSA-N 0 0 213.733 3.504 10 0 BHAERN CC/C(=C\[C@H](C)O)c1cccc(Cl)c1 ZINC000308339222 355357060 /nfs/dbraw/zinc/35/70/60/355357060.db2.gz AAXDRHIJKJFBCL-HZAKCSEPSA-N 0 0 210.704 3.514 10 0 BHAERN CC/C(=C\[C@@H](C)O)c1cccc(Cl)c1 ZINC000308339223 385875489 /nfs/dbraw/zinc/87/54/89/385875489.db2.gz AAXDRHIJKJFBCL-YIXGCBLDSA-N 0 0 210.704 3.514 10 0 BHAERN C/C(=C\[C@H](C)O)c1ccc(Cl)c(Cl)c1 ZINC000308343520 355364099 /nfs/dbraw/zinc/36/40/99/355364099.db2.gz MDPSWWVWBTXXHD-IVGLGHLBSA-N 0 0 231.122 3.778 10 0 BHAERN C/C(=C\[C@@H](C)O)c1ccc(Cl)c(Cl)c1 ZINC000308343521 350662888 /nfs/dbraw/zinc/66/28/88/350662888.db2.gz MDPSWWVWBTXXHD-WVXIBAHESA-N 0 0 231.122 3.778 10 0 BHAERN CCC[C@H](NO)c1cccc(Cl)c1Cl ZINC000308365783 355376225 /nfs/dbraw/zinc/37/62/25/355376225.db2.gz OCDRICGUSYRXAK-VIFPVBQESA-N 0 0 234.126 3.813 10 0 BHAERN CCCC[C@@H](NO)c1ccc(Cl)cc1 ZINC000308368164 355376184 /nfs/dbraw/zinc/37/61/84/355376184.db2.gz SJLAHRAGIRRXMW-LLVKDONJSA-N 0 0 213.708 3.550 10 0 BHAERN CCC[C@@H](NO)c1cc(Cl)cc(Cl)c1 ZINC000308368784 355375991 /nfs/dbraw/zinc/37/59/91/355375991.db2.gz UGKPKLBQEQZQFH-SNVBAGLBSA-N 0 0 234.126 3.813 10 0 BHAERN CCC[C@@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000308370269 355375384 /nfs/dbraw/zinc/37/53/84/355375384.db2.gz XMISWSBBJXNUIZ-SNVBAGLBSA-N 0 0 234.126 3.813 10 0 BHAERN CCC[C@@H](NO)c1c(Cl)cccc1Cl ZINC000308370458 355375022 /nfs/dbraw/zinc/37/50/22/355375022.db2.gz BWVSYVBFUQSGHQ-SECBINFHSA-N 0 0 234.126 3.813 10 0 BHAERN CCCC[C@H](NO)c1cccc(Cl)c1 ZINC000308372077 355385223 /nfs/dbraw/zinc/38/52/23/355385223.db2.gz FMMPECCZGMKINR-NSHDSACASA-N 0 0 213.708 3.550 10 0 BHAERN CCCC[C@@H](NO)c1ccccc1Cl ZINC000308374642 355385488 /nfs/dbraw/zinc/38/54/88/355385488.db2.gz JKHAHJSEFDBLAX-LLVKDONJSA-N 0 0 213.708 3.550 10 0 BHAERN CCCC[C@H](NO)c1ccccc1Cl ZINC000308374643 355385827 /nfs/dbraw/zinc/38/58/27/355385827.db2.gz JKHAHJSEFDBLAX-NSHDSACASA-N 0 0 213.708 3.550 10 0 BHAERN CCC[C@H](NO)c1c(Cl)cccc1Cl ZINC000308377723 355385408 /nfs/dbraw/zinc/38/54/08/355385408.db2.gz BWVSYVBFUQSGHQ-VIFPVBQESA-N 0 0 234.126 3.813 10 0 BHAERN CCC[C@H](NO)c1cc(Cl)cc(Cl)c1 ZINC000308380764 355384208 /nfs/dbraw/zinc/38/42/08/355384208.db2.gz UGKPKLBQEQZQFH-JTQLQIEISA-N 0 0 234.126 3.813 10 0 BHAERN CC(C)c1cccc(NC/C=C\Cl)c1 ZINC000308416035 355497407 /nfs/dbraw/zinc/49/74/07/355497407.db2.gz ILVFDWHIGMIDFX-DAXSKMNVSA-N 0 0 209.720 3.974 10 0 BHAERN CC(C)[C@@H]1CCC(=O)[C@@H](C/C=C\Cl)C1 ZINC000308427345 350710558 /nfs/dbraw/zinc/71/05/58/350710558.db2.gz ZSOHARFAEZQFRI-JEIZLPFHSA-N 0 0 214.736 3.770 10 0 BHAERN CC(C)[C@@H]1CCC(=O)[C@H](C/C=C\Cl)C1 ZINC000308427348 355558253 /nfs/dbraw/zinc/55/82/53/355558253.db2.gz ZSOHARFAEZQFRI-RRJXKJFGSA-N 0 0 214.736 3.770 10 0 BHAERN C/C(=C/c1cc(Cl)ccc1Cl)[C@@H](C)O ZINC000308431987 355577490 /nfs/dbraw/zinc/57/74/90/355577490.db2.gz AQWNFJPZTZRZAZ-GRKOMRHMSA-N 0 0 231.122 3.778 10 0 BHAERN C/C(=C/c1cc(Cl)ccc1Cl)[C@H](C)O ZINC000308431989 355577395 /nfs/dbraw/zinc/57/73/95/355577395.db2.gz AQWNFJPZTZRZAZ-TVSKSKRASA-N 0 0 231.122 3.778 10 0 BHAERN CCC[C@H](NO)c1ccc(Cl)cc1Cl ZINC000308573818 342855873 /nfs/dbraw/zinc/85/58/73/342855873.db2.gz GIJRWRQJGWQNMI-JTQLQIEISA-N 0 0 234.126 3.813 10 0 BHAERN CCC[C@@H](NO)c1ccc(Cl)cc1Cl ZINC000308573820 342855963 /nfs/dbraw/zinc/85/59/63/342855963.db2.gz GIJRWRQJGWQNMI-SNVBAGLBSA-N 0 0 234.126 3.813 10 0 BHAERN CCC[C@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000308608734 346891466 /nfs/dbraw/zinc/89/14/66/346891466.db2.gz XMISWSBBJXNUIZ-JTQLQIEISA-N 0 0 234.126 3.813 10 0 BHAERN CCC(CC)n1ccc2cc(N)ccc21 ZINC000308647673 537966918 /nfs/dbraw/zinc/96/69/18/537966918.db2.gz MJCINENQNNOEJU-UHFFFAOYSA-N 0 0 202.301 3.585 10 0 BHAERN C/C(=C\Cl)COc1ccc(C)c(C)c1 ZINC000308651105 342859691 /nfs/dbraw/zinc/85/96/91/342859691.db2.gz KDDJSMAVAORSRU-VQHVLOKHSA-N 0 0 210.704 3.825 10 0 BHAERN Cc1cccc([C@H](C)NC/C(Cl)=C\Cl)c1 ZINC000308664422 631350524 /nfs/dbraw/zinc/35/05/24/631350524.db2.gz FGSVABQLLIZJKH-QVIVLVACSA-N 0 0 244.165 3.965 10 0 BHAERN C/C=C(/c1sccc1N)c1ccccc1 ZINC000308734295 348269850 /nfs/dbraw/zinc/26/98/50/348269850.db2.gz FCDRWAIRASJYHP-BIIKFXOESA-N 0 0 215.321 3.782 10 0 BHAERN CCC[C@H](NO)c1ccc(C(C)C)cc1 ZINC000308745095 342866515 /nfs/dbraw/zinc/86/65/15/342866515.db2.gz AKKDLFTWHGLBTN-ZDUSSCGKSA-N 0 0 207.317 3.630 10 0 BHAERN CCC[C@@H](NO)c1ccc(C(C)C)cc1 ZINC000308745721 342866556 /nfs/dbraw/zinc/86/65/56/342866556.db2.gz AKKDLFTWHGLBTN-CYBMUJFWSA-N 0 0 207.317 3.630 10 0 BHAERN CCCC[C@H](NO)c1cc(F)ccc1Cl ZINC000308748617 342866541 /nfs/dbraw/zinc/86/65/41/342866541.db2.gz IPAPCHGGCRKZFW-NSHDSACASA-N 0 0 231.698 3.689 10 0 BHAERN CCCC[C@@H](NO)c1ccc(F)c(Cl)c1 ZINC000308758715 342867666 /nfs/dbraw/zinc/86/76/66/342867666.db2.gz FHFYILPJFWJSCR-LLVKDONJSA-N 0 0 231.698 3.689 10 0 BHAERN CCCC[C@H](NO)c1c(F)cccc1Cl ZINC000308760401 342867616 /nfs/dbraw/zinc/86/76/16/342867616.db2.gz KERHKYUJZOZDHQ-JTQLQIEISA-N 0 0 231.698 3.689 10 0 BHAERN CCCC[C@H](NO)c1ccc(C)cc1C ZINC000308763738 342870188 /nfs/dbraw/zinc/87/01/88/342870188.db2.gz VIDZHHDQJPXBAN-ZDUSSCGKSA-N 0 0 207.317 3.514 10 0 BHAERN CCCC[C@@H](NO)c1cc(C)ccc1C ZINC000308764994 346910506 /nfs/dbraw/zinc/91/05/06/346910506.db2.gz YPAUTMJXMCCQFG-CYBMUJFWSA-N 0 0 207.317 3.514 10 0 BHAERN CCCC[C@H](NO)c1cc(C)ccc1C ZINC000308764995 342870051 /nfs/dbraw/zinc/87/00/51/342870051.db2.gz YPAUTMJXMCCQFG-ZDUSSCGKSA-N 0 0 207.317 3.514 10 0 BHAERN CCC(CC)n1ccc2cccc(N)c21 ZINC000308772411 537968201 /nfs/dbraw/zinc/96/82/01/537968201.db2.gz VRZMPZJAUZQQKA-UHFFFAOYSA-N 0 0 202.301 3.585 10 0 BHAERN CCC[C@H](C)n1ccc2cccc(N)c21 ZINC000308773144 537967889 /nfs/dbraw/zinc/96/78/89/537967889.db2.gz ZIKKYLIMBUEUNB-JTQLQIEISA-N 0 0 202.301 3.585 10 0 BHAERN CCC[C@@H](C)n1ccc2cccc(N)c21 ZINC000308773145 537968192 /nfs/dbraw/zinc/96/81/92/537968192.db2.gz ZIKKYLIMBUEUNB-SNVBAGLBSA-N 0 0 202.301 3.585 10 0 BHAERN Cc1cccc(Cl)c1C(=O)CC(F)(F)F ZINC000308780241 342870679 /nfs/dbraw/zinc/87/06/79/342870679.db2.gz OVSYKKMVRXRTDV-UHFFFAOYSA-N 0 0 236.620 3.784 10 0 BHAERN CCC(C)(C)C(=O)c1ccc(C)cc1F ZINC000308783437 342871426 /nfs/dbraw/zinc/87/14/26/342871426.db2.gz DSSFJRJGAVTGFM-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN CCCCC(=O)c1cc(F)c(Cl)c(F)c1 ZINC000308787343 342871500 /nfs/dbraw/zinc/87/15/00/342871500.db2.gz AMKNXRQGDIVGQI-UHFFFAOYSA-N 0 0 232.657 3.991 10 0 BHAERN COc1ccc(Cl)c(C(=O)C(C)(C)C)c1 ZINC000308788550 342871433 /nfs/dbraw/zinc/87/14/33/342871433.db2.gz BFGKHWOPWGOAHX-UHFFFAOYSA-N 0 0 226.703 3.577 10 0 BHAERN CC(C)(C)C(=O)c1cc(F)c(Cl)c(F)c1 ZINC000308791870 342871905 /nfs/dbraw/zinc/87/19/05/342871905.db2.gz DHLQTNCICLEGMQ-UHFFFAOYSA-N 0 0 232.657 3.847 10 0 BHAERN O=C(CC(F)(F)F)c1ccc(F)cc1Cl ZINC000308795289 342871590 /nfs/dbraw/zinc/87/15/90/342871590.db2.gz GNIAYXORJQBCAG-UHFFFAOYSA-N 0 0 240.583 3.614 10 0 BHAERN CCC(=O)c1cccc(C(F)(F)F)c1C ZINC000308796557 342871581 /nfs/dbraw/zinc/87/15/81/342871581.db2.gz HPFFAWVZTRKZAX-UHFFFAOYSA-N 0 0 216.202 3.607 10 0 BHAERN O=C(c1csc2ccccc12)C(F)(F)Cl ZINC000308798068 342871977 /nfs/dbraw/zinc/87/19/77/342871977.db2.gz IUNUPSZVPFCHHV-UHFFFAOYSA-N 0 0 246.665 3.916 10 0 BHAERN COc1cc(C(=O)C2CC2)c(Cl)cc1Cl ZINC000308800688 342871964 /nfs/dbraw/zinc/87/19/64/342871964.db2.gz KUHLKMUTGARUBI-UHFFFAOYSA-N 0 0 245.105 3.595 10 0 BHAERN CC[C@@H](C)C(=O)c1cc(OC)ccc1Cl ZINC000308803040 346922082 /nfs/dbraw/zinc/92/20/82/346922082.db2.gz MYQAPCFVXJZLMS-MRVPVSSYSA-N 0 0 226.703 3.577 10 0 BHAERN CC[C@H](C)C(=O)c1cc(OC)ccc1Cl ZINC000308803041 346922132 /nfs/dbraw/zinc/92/21/32/346922132.db2.gz MYQAPCFVXJZLMS-QMMMGPOBSA-N 0 0 226.703 3.577 10 0 BHAERN Cc1ccc(C(=O)CC(C)(C)C)c(F)c1 ZINC000308811852 346921533 /nfs/dbraw/zinc/92/15/33/346921533.db2.gz RSLDZPVLZPZDQC-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN Cc1ccccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000308823340 487536721 /nfs/dbraw/zinc/53/67/21/487536721.db2.gz KGQZZMXZJNIZLE-OUCADQQQSA-N 0 0 201.313 3.596 10 0 BHAERN Cc1ccc(C(=O)CC(F)(F)F)c(Cl)c1 ZINC000308826441 342872885 /nfs/dbraw/zinc/87/28/85/342872885.db2.gz RMMFSBIOXCUPLG-UHFFFAOYSA-N 0 0 236.620 3.784 10 0 BHAERN Cc1cc(C)c(C(=O)C(F)(F)Cl)c(C)c1 ZINC000308826640 342872706 /nfs/dbraw/zinc/87/27/06/342872706.db2.gz RPMLYBREOJDPTP-UHFFFAOYSA-N 0 0 232.657 3.626 10 0 BHAERN CC(C)c1ccccc1NCC1(F)CC1 ZINC000308834039 323179940 /nfs/dbraw/zinc/17/99/40/323179940.db2.gz HJPKNEVVJGPAMZ-UHFFFAOYSA-N 0 0 207.292 3.724 10 0 BHAERN CCCC[C@@H](NO)c1cc(F)ccc1Cl ZINC000308856175 342874547 /nfs/dbraw/zinc/87/45/47/342874547.db2.gz IPAPCHGGCRKZFW-LLVKDONJSA-N 0 0 231.698 3.689 10 0 BHAERN CCCC[C@@H](NO)c1c(F)cccc1Cl ZINC000308863011 342874525 /nfs/dbraw/zinc/87/45/25/342874525.db2.gz KERHKYUJZOZDHQ-SNVBAGLBSA-N 0 0 231.698 3.689 10 0 BHAERN CC[C@@H](Nc1cc(C)ccn1)C(C)(C)C ZINC000308909419 529208750 /nfs/dbraw/zinc/20/87/50/529208750.db2.gz DIUCEVPWAGSOIW-LLVKDONJSA-N 0 0 206.333 3.627 10 0 BHAERN CC[C@H](Nc1cc(C)ccn1)C(C)(C)C ZINC000308909421 529675197 /nfs/dbraw/zinc/67/51/97/529675197.db2.gz DIUCEVPWAGSOIW-NSHDSACASA-N 0 0 206.333 3.627 10 0 BHAERN CCCC[C@@H](NO)c1ccc(C)cc1C ZINC000308988538 342878928 /nfs/dbraw/zinc/87/89/28/342878928.db2.gz VIDZHHDQJPXBAN-CYBMUJFWSA-N 0 0 207.317 3.514 10 0 BHAERN CCC1(CC)Cc2c(cccc2N)[C@@H]1C ZINC000309101083 349986470 /nfs/dbraw/zinc/98/64/70/349986470.db2.gz FSQARZBGJZHPHY-JTQLQIEISA-N 0 0 203.329 3.735 10 0 BHAERN CCC1(CC)Cc2c(cccc2N)[C@H]1C ZINC000309101084 346968285 /nfs/dbraw/zinc/96/82/85/346968285.db2.gz FSQARZBGJZHPHY-SNVBAGLBSA-N 0 0 203.329 3.735 10 0 BHAERN C[C@H]1C[C@H]1[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000309116438 229361706 /nfs/dbraw/zinc/36/17/06/229361706.db2.gz LQSDUSCQJZVIRI-IMTBSYHQSA-N 0 0 248.128 3.631 10 0 BHAERN C[C@H]1C[C@@H]1[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000309116440 229361769 /nfs/dbraw/zinc/36/17/69/229361769.db2.gz LQSDUSCQJZVIRI-RCOVLWMOSA-N 0 0 248.128 3.631 10 0 BHAERN CC(C)C[C@@H]1C[C@H](C)c2c1cccc2N ZINC000309131269 350077222 /nfs/dbraw/zinc/07/72/22/350077222.db2.gz RCCAEXYHUXMVPV-WDEREUQCSA-N 0 0 203.329 3.906 10 0 BHAERN CCc1ccccc1C(=O)C(C)(C)CC ZINC000309135988 342894114 /nfs/dbraw/zinc/89/41/14/342894114.db2.gz ZCOIKIMVQQXHEW-UHFFFAOYSA-N 0 0 204.313 3.868 10 0 BHAERN Fc1ccc2c(cccc2OC(F)(F)F)c1 ZINC000309146569 342895785 /nfs/dbraw/zinc/89/57/85/342895785.db2.gz GXELNEAIAZXQQZ-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN Fc1ccc2cccc(OC(F)(F)F)c2c1 ZINC000309146780 342895793 /nfs/dbraw/zinc/89/57/93/342895793.db2.gz HNPOBZVXNDXKPS-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN Fc1ccc2ccc(OC(F)(F)F)cc2c1 ZINC000309151404 342897496 /nfs/dbraw/zinc/89/74/96/342897496.db2.gz VWNNDGHIQAXRPF-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN CCOC(=O)c1c(Cl)ccc2ccccc21 ZINC000309156429 346972525 /nfs/dbraw/zinc/97/25/25/346972525.db2.gz FLTJEBLMEQKHFB-UHFFFAOYSA-N 0 0 234.682 3.670 10 0 BHAERN CCC1(CC)C[C@H](C)c2c1cccc2N ZINC000309158706 350108837 /nfs/dbraw/zinc/10/88/37/350108837.db2.gz YDIYDMZHMSLLNV-JTQLQIEISA-N 0 0 203.329 3.834 10 0 BHAERN CCC1(CC)C[C@@H](C)c2c1cccc2N ZINC000309158707 350108985 /nfs/dbraw/zinc/10/89/85/350108985.db2.gz YDIYDMZHMSLLNV-SNVBAGLBSA-N 0 0 203.329 3.834 10 0 BHAERN COc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000309168541 342900319 /nfs/dbraw/zinc/90/03/19/342900319.db2.gz IYMOXJHIEYDTFZ-UHFFFAOYSA-N 0 0 244.134 3.733 10 0 BHAERN CCOC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000309174180 322898464 /nfs/dbraw/zinc/89/84/64/322898464.db2.gz SYCXJIPGDBATKA-SDDRHHMPSA-N 0 0 228.332 3.620 10 0 BHAERN COc1cc(OC(F)(F)F)cc(C(F)F)c1 ZINC000309174203 342903333 /nfs/dbraw/zinc/90/33/33/342903333.db2.gz TVCXAKATOOHEHG-UHFFFAOYSA-N 0 0 242.143 3.531 10 0 BHAERN COc1cc2ccccc2c(C(F)(F)F)c1 ZINC000309174525 342903322 /nfs/dbraw/zinc/90/33/22/342903322.db2.gz UHZHKGADCWXENR-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN CCOC(=O)c1ccc2cc(Cl)ccc2c1 ZINC000309176472 342903356 /nfs/dbraw/zinc/90/33/56/342903356.db2.gz XVBMPQKMHCYOJJ-UHFFFAOYSA-N 0 0 234.682 3.670 10 0 BHAERN CSc1ccc2c(c1)-c1ccc(N)cc1C2 ZINC000309178533 350121045 /nfs/dbraw/zinc/12/10/45/350121045.db2.gz AMPIKXWTUJDOPL-UHFFFAOYSA-N 0 0 227.332 3.562 10 0 BHAERN CSc1c2c(ccc1N)-c1ccccc1C2 ZINC000309183052 350158371 /nfs/dbraw/zinc/15/83/71/350158371.db2.gz GBEGQJVLBVAZCF-UHFFFAOYSA-N 0 0 227.332 3.562 10 0 BHAERN CCC[C@@H](NO)c1cccc(C(F)(F)F)c1 ZINC000309190093 342904431 /nfs/dbraw/zinc/90/44/31/342904431.db2.gz NBDGXEMBMHHAGC-SNVBAGLBSA-N 0 0 233.233 3.525 10 0 BHAERN Fc1cc2ccccc2c(OC(F)(F)F)c1 ZINC000309190165 342904307 /nfs/dbraw/zinc/90/43/07/342904307.db2.gz INEYLNXACPTDSO-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN COc1ccc2ccc(C(F)(F)F)cc2c1 ZINC000309193847 342907610 /nfs/dbraw/zinc/90/76/10/342907610.db2.gz KJDLESSWWGWFNQ-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN CC[C@@H](Nc1ccc(C)nc1)C(C)(C)C ZINC000309194767 385203459 /nfs/dbraw/zinc/20/34/59/385203459.db2.gz QINYGOFUYCDPEI-GFCCVEGCSA-N 0 0 206.333 3.627 10 0 BHAERN CC[C@H](Nc1ccc(C)nc1)C(C)(C)C ZINC000309194768 385204821 /nfs/dbraw/zinc/20/48/21/385204821.db2.gz QINYGOFUYCDPEI-LBPRGKRZSA-N 0 0 206.333 3.627 10 0 BHAERN COc1ccc2cccc(C(F)(F)F)c2c1 ZINC000309195161 342907663 /nfs/dbraw/zinc/90/76/63/342907663.db2.gz LBDYADQQVIUEAY-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN CCC[C@H](NO)c1ccc(C(C)(C)C)cc1 ZINC000309198377 342907617 /nfs/dbraw/zinc/90/76/17/342907617.db2.gz VXFQBEUUKMNYSP-ZDUSSCGKSA-N 0 0 221.344 3.804 10 0 BHAERN Fc1cccc2cccc(OC(F)(F)F)c12 ZINC000309201208 346989741 /nfs/dbraw/zinc/98/97/41/346989741.db2.gz NRXAZYXTTBOTRZ-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN Fc1cc2ccccc2cc1OC(F)(F)F ZINC000309203974 342910864 /nfs/dbraw/zinc/91/08/64/342910864.db2.gz OWLAVDKNTBSARE-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN CCC(C)(C)C(=O)c1cc(OC)ccc1Cl ZINC000309220184 342914248 /nfs/dbraw/zinc/91/42/48/342914248.db2.gz OCUUBBSEMYHKRD-UHFFFAOYSA-N 0 0 240.730 3.968 10 0 BHAERN COc1cccc(OC(F)(F)F)c1C(F)F ZINC000309221316 342915361 /nfs/dbraw/zinc/91/53/61/342915361.db2.gz YDEVNRDCKJERPU-UHFFFAOYSA-N 0 0 242.143 3.531 10 0 BHAERN CCC[C@@H](NO)c1ccc2ccccc2c1 ZINC000309223631 342915454 /nfs/dbraw/zinc/91/54/54/342915454.db2.gz RRCYQTXVNCVFIT-CQSZACIVSA-N 0 0 215.296 3.660 10 0 BHAERN COc1ccc(C(F)(F)F)c2ccccc12 ZINC000309223738 346994941 /nfs/dbraw/zinc/99/49/41/346994941.db2.gz ZGOFYAJHNPGCAG-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN CCOC(=O)/C=C(\CC)c1ccc(Cl)cc1 ZINC000309231100 342920092 /nfs/dbraw/zinc/92/00/92/342920092.db2.gz XFIBJVHTZUJGGI-MDZDMXLPSA-N 0 0 238.714 3.697 10 0 BHAERN CSCc1cccc(-c2ccccc2N)c1 ZINC000309267890 350247628 /nfs/dbraw/zinc/24/76/28/350247628.db2.gz KBIKUTLAZXNYRH-UHFFFAOYSA-N 0 0 229.348 3.799 10 0 BHAERN COc1ccc(OC(F)(F)F)cc1C(F)F ZINC000309314758 343221387 /nfs/dbraw/zinc/22/13/87/343221387.db2.gz JJPGABJNJGUZBW-UHFFFAOYSA-N 0 0 242.143 3.531 10 0 BHAERN COc1ccc2c(cccc2C(F)(F)F)c1 ZINC000309324956 343273340 /nfs/dbraw/zinc/27/33/40/343273340.db2.gz QKIFOHOSISOFQJ-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN COc1ccc2c(c1)[nH]c1cc(Cl)ccc12 ZINC000309327567 350318433 /nfs/dbraw/zinc/31/84/33/350318433.db2.gz SLOKQPVZKZWEOB-UHFFFAOYSA-N 0 0 231.682 3.983 10 0 BHAERN Fc1c(OC(F)(F)F)ccc2ccccc21 ZINC000309335715 343294083 /nfs/dbraw/zinc/29/40/83/343294083.db2.gz ZOECJDAOCFANFD-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN CCCC[C@@H](C(=O)OCC)C1CCCCC1 ZINC000309335851 343294203 /nfs/dbraw/zinc/29/42/03/343294203.db2.gz APTPNQBYINWTBV-CYBMUJFWSA-N 0 0 226.360 3.936 10 0 BHAERN CCCC[C@H](C(=O)OCC)C1CCCCC1 ZINC000309335855 343293842 /nfs/dbraw/zinc/29/38/42/343293842.db2.gz APTPNQBYINWTBV-ZDUSSCGKSA-N 0 0 226.360 3.936 10 0 BHAERN C[C@H]1CC[C@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000309346099 632955229 /nfs/dbraw/zinc/95/52/29/632955229.db2.gz WMLUTXMPAYDJNK-GZMMTYOYSA-N 0 0 229.245 3.916 10 0 BHAERN C[C@@H]1CC[C@@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000309346100 632006888 /nfs/dbraw/zinc/00/68/88/632006888.db2.gz WMLUTXMPAYDJNK-KCJUWKMLSA-N 0 0 229.245 3.916 10 0 BHAERN C[C@H]1CC[C@@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000309346101 632954493 /nfs/dbraw/zinc/95/44/93/632954493.db2.gz WMLUTXMPAYDJNK-KWQFWETISA-N 0 0 229.245 3.916 10 0 BHAERN C[C@@H]1CC[C@H]1Nc1ccc(C(F)(F)F)cc1 ZINC000309346102 632005119 /nfs/dbraw/zinc/00/51/19/632005119.db2.gz WMLUTXMPAYDJNK-LDYMZIIASA-N 0 0 229.245 3.916 10 0 BHAERN COc1cc(N[C@@H]2CCC2(C)C)ccc1Cl ZINC000309346720 383897855 /nfs/dbraw/zinc/89/78/55/383897855.db2.gz WQCZUAZXNMABKT-GFCCVEGCSA-N 0 0 239.746 3.949 10 0 BHAERN COc1cc(N[C@H]2CCC2(C)C)ccc1Cl ZINC000309346721 533040021 /nfs/dbraw/zinc/04/00/21/533040021.db2.gz WQCZUAZXNMABKT-LBPRGKRZSA-N 0 0 239.746 3.949 10 0 BHAERN Cc1ccc(-c2cncc(C=O)c2)c(Cl)c1 ZINC000309350792 538110990 /nfs/dbraw/zinc/11/09/90/538110990.db2.gz OOONQIUMWHIXTJ-UHFFFAOYSA-N 0 0 231.682 3.523 10 0 BHAERN CCCCCc1ccc(C(=O)C(F)F)cc1 ZINC000309351763 343324397 /nfs/dbraw/zinc/32/43/97/343324397.db2.gz FILLWAQAFUYINS-UHFFFAOYSA-N 0 0 226.266 3.867 10 0 BHAERN CCC[C@H](NO)c1ccccc1C(F)(F)F ZINC000309361224 343335416 /nfs/dbraw/zinc/33/54/16/343335416.db2.gz LHMAALKOKWCDPT-JTQLQIEISA-N 0 0 233.233 3.525 10 0 BHAERN CCC[C@@H](NO)c1ccccc1C(F)(F)F ZINC000309361225 343335454 /nfs/dbraw/zinc/33/54/54/343335454.db2.gz LHMAALKOKWCDPT-SNVBAGLBSA-N 0 0 233.233 3.525 10 0 BHAERN CCCC[C@H](NO)c1c(C)cc(C)cc1C ZINC000309363465 343332622 /nfs/dbraw/zinc/33/26/22/343332622.db2.gz MVIFBJFYXWJILS-ZDUSSCGKSA-N 0 0 221.344 3.822 10 0 BHAERN CCC[C@H](NO)c1ccc2ccccc2c1 ZINC000309370436 347042909 /nfs/dbraw/zinc/04/29/09/347042909.db2.gz RRCYQTXVNCVFIT-AWEZNQCLSA-N 0 0 215.296 3.660 10 0 BHAERN CCC[C@@H](NO)c1ccc(C(C)(C)C)cc1 ZINC000309376906 347044501 /nfs/dbraw/zinc/04/45/01/347044501.db2.gz VXFQBEUUKMNYSP-CYBMUJFWSA-N 0 0 221.344 3.804 10 0 BHAERN CCC[C@H](NO)c1ccc(C(F)(F)F)cc1 ZINC000309377881 343345821 /nfs/dbraw/zinc/34/58/21/343345821.db2.gz WHRCUEZZJFUQIW-JTQLQIEISA-N 0 0 233.233 3.525 10 0 BHAERN CCC[C@@H](NO)c1ccc(C(F)(F)F)cc1 ZINC000309377894 343345867 /nfs/dbraw/zinc/34/58/67/343345867.db2.gz WHRCUEZZJFUQIW-SNVBAGLBSA-N 0 0 233.233 3.525 10 0 BHAERN Cc1cc(Oc2ccccc2)c(F)cc1N ZINC000309380298 350361129 /nfs/dbraw/zinc/36/11/29/350361129.db2.gz QUTBIZVIKVVJTA-UHFFFAOYSA-N 0 0 217.243 3.509 10 0 BHAERN COc1cc(C(F)F)ccc1OC(F)(F)F ZINC000309380478 347045439 /nfs/dbraw/zinc/04/54/39/347045439.db2.gz JLBUFVVDGCHLED-UHFFFAOYSA-N 0 0 242.143 3.531 10 0 BHAERN CCCC(=O)c1cccc(F)c1C(F)(F)F ZINC000309383252 347044722 /nfs/dbraw/zinc/04/47/22/347044722.db2.gz ZLPXRKGZMBMHHY-UHFFFAOYSA-N 0 0 234.192 3.827 10 0 BHAERN Nc1cccnc1-c1cc2ccccc2s1 ZINC000309391939 350366661 /nfs/dbraw/zinc/36/66/61/350366661.db2.gz TWLGFOLIZGLKML-UHFFFAOYSA-N 0 0 226.304 3.546 10 0 BHAERN COc1c(OC(F)(F)F)cccc1C(F)F ZINC000309397485 343355187 /nfs/dbraw/zinc/35/51/87/343355187.db2.gz QXUGQZNFXIPSJU-UHFFFAOYSA-N 0 0 242.143 3.531 10 0 BHAERN COc1cc2ccccc2cc1C(F)(F)F ZINC000309407723 347058247 /nfs/dbraw/zinc/05/82/47/347058247.db2.gz WLNOPZSVOFBVQC-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN CCOc1ccc(N[C@@H]2CCC2(C)C)cc1 ZINC000309430046 633060751 /nfs/dbraw/zinc/06/07/51/633060751.db2.gz LRKQRQAJEGLVPX-CYBMUJFWSA-N 0 0 219.328 3.686 10 0 BHAERN CCOc1ccc(N[C@H]2CCC2(C)C)cc1 ZINC000309430047 632046641 /nfs/dbraw/zinc/04/66/41/632046641.db2.gz LRKQRQAJEGLVPX-ZDUSSCGKSA-N 0 0 219.328 3.686 10 0 BHAERN CC(C)Cc1ccc(C(=O)C(F)(F)Cl)cc1 ZINC000309448516 343455159 /nfs/dbraw/zinc/45/51/59/343455159.db2.gz NQGUCNFRKSHLBY-UHFFFAOYSA-N 0 0 246.684 3.899 10 0 BHAERN COc1ccc(Cl)c(C(=O)CC(C)(C)C)c1 ZINC000309450149 343454636 /nfs/dbraw/zinc/45/46/36/343454636.db2.gz OCEFGGUDYAOZQM-UHFFFAOYSA-N 0 0 240.730 3.968 10 0 BHAERN CCC(CC)C(=O)c1cc(OC)ccc1Cl ZINC000309453227 343483859 /nfs/dbraw/zinc/48/38/59/343483859.db2.gz OYGASQOHSAAGSL-UHFFFAOYSA-N 0 0 240.730 3.968 10 0 BHAERN CC(C)(C)c1cccc(C(=O)C(F)(F)Cl)c1 ZINC000309507322 347089889 /nfs/dbraw/zinc/08/98/89/347089889.db2.gz MGGAIICFTYAGKJ-UHFFFAOYSA-N 0 0 246.684 3.998 10 0 BHAERN CCCC[C@@H](NO)c1c(C)cc(C)cc1C ZINC000309508159 343644595 /nfs/dbraw/zinc/64/45/95/343644595.db2.gz MVIFBJFYXWJILS-CYBMUJFWSA-N 0 0 221.344 3.822 10 0 BHAERN CCC[C@H](NO)c1cccc(C(F)(F)F)c1 ZINC000309508214 343644454 /nfs/dbraw/zinc/64/44/54/343644454.db2.gz NBDGXEMBMHHAGC-JTQLQIEISA-N 0 0 233.233 3.525 10 0 BHAERN COc1cccc(C(F)F)c1OC(F)(F)F ZINC000309523300 343686911 /nfs/dbraw/zinc/68/69/11/343686911.db2.gz BEJIOHNZBLKPLX-UHFFFAOYSA-N 0 0 242.143 3.531 10 0 BHAERN Nc1ccccc1-c1cccc2ccoc21 ZINC000309533592 632475949 /nfs/dbraw/zinc/47/59/49/632475949.db2.gz DWBZFMFARNONKC-UHFFFAOYSA-N 0 0 209.248 3.682 10 0 BHAERN COc1cccc2ccc(C(F)(F)F)cc21 ZINC000309553149 343745187 /nfs/dbraw/zinc/74/51/87/343745187.db2.gz MIGLABBUZWNZIP-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN Clc1cnc2c(-c3ccccc3)cccn12 ZINC000309557970 347101427 /nfs/dbraw/zinc/10/14/27/347101427.db2.gz OYBSKRUFWWIXEX-UHFFFAOYSA-N 0 0 228.682 3.655 10 0 BHAERN C[C@@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)C(F)(F)F ZINC000309566818 388457351 /nfs/dbraw/zinc/45/73/51/388457351.db2.gz MJTBLIFDXHZIQZ-BBBLOLIVSA-N 0 0 237.309 3.742 10 0 BHAERN C[C@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)C(F)(F)F ZINC000309566819 388457393 /nfs/dbraw/zinc/45/73/93/388457393.db2.gz MJTBLIFDXHZIQZ-KXUCPTDWSA-N 0 0 237.309 3.742 10 0 BHAERN C[C@@H](N[C@@H]1C[C@@H](C)CC(C)(C)C1)C(F)(F)F ZINC000309566820 388457124 /nfs/dbraw/zinc/45/71/24/388457124.db2.gz MJTBLIFDXHZIQZ-OPRDCNLKSA-N 0 0 237.309 3.742 10 0 BHAERN C[C@H](N[C@H]1C[C@@H](C)CC(C)(C)C1)C(F)(F)F ZINC000309566821 388457464 /nfs/dbraw/zinc/45/74/64/388457464.db2.gz MJTBLIFDXHZIQZ-UTLUCORTSA-N 0 0 237.309 3.742 10 0 BHAERN CC(C)=CCNc1cccc2ccncc21 ZINC000309596730 358883628 /nfs/dbraw/zinc/88/36/28/358883628.db2.gz IMCGQEDZNCNMLJ-UHFFFAOYSA-N 0 0 212.296 3.613 10 0 BHAERN FCC[C@@H]1CCC[C@@H]1Nc1ccc(F)cc1 ZINC000309599196 229586638 /nfs/dbraw/zinc/58/66/38/229586638.db2.gz VXBNGNAUKQUGRW-GWCFXTLKSA-N 0 0 225.282 3.766 10 0 BHAERN FCC[C@@H]1CCC[C@H]1Nc1ccc(F)cc1 ZINC000309599197 384157555 /nfs/dbraw/zinc/15/75/55/384157555.db2.gz VXBNGNAUKQUGRW-GXFFZTMASA-N 0 0 225.282 3.766 10 0 BHAERN FCC[C@H]1CCC[C@@H]1Nc1ccc(F)cc1 ZINC000309599198 384158290 /nfs/dbraw/zinc/15/82/90/384158290.db2.gz VXBNGNAUKQUGRW-MFKMUULPSA-N 0 0 225.282 3.766 10 0 BHAERN FCC[C@H]1CCC[C@H]1Nc1ccc(F)cc1 ZINC000309599199 384158314 /nfs/dbraw/zinc/15/83/14/384158314.db2.gz VXBNGNAUKQUGRW-ZWNOBZJWSA-N 0 0 225.282 3.766 10 0 BHAERN FC(F)(F)c1ccc(NCC2(F)CC2)cc1 ZINC000309603173 323431906 /nfs/dbraw/zinc/43/19/06/323431906.db2.gz XFVBNLQAZDWCCB-UHFFFAOYSA-N 0 0 233.208 3.619 10 0 BHAERN Cc1ccncc1NC1CCC2(CC2)CC1 ZINC000309712740 179493796 /nfs/dbraw/zinc/49/37/96/179493796.db2.gz RJLMBTHUIALONF-UHFFFAOYSA-N 0 0 216.328 3.525 10 0 BHAERN CCC[C@@H](C)Nc1cc(F)c(F)cc1OC ZINC000309729406 388462931 /nfs/dbraw/zinc/46/29/31/388462931.db2.gz ZFSSSRGPIXEFFW-MRVPVSSYSA-N 0 0 229.270 3.574 10 0 BHAERN CCC[C@H](C)Nc1cc(F)c(F)cc1OC ZINC000309729407 388463385 /nfs/dbraw/zinc/46/33/85/388463385.db2.gz ZFSSSRGPIXEFFW-QMMMGPOBSA-N 0 0 229.270 3.574 10 0 BHAERN Cc1cccc2nc(N[C@H](C)C3CC3)sc21 ZINC000309794179 229468237 /nfs/dbraw/zinc/46/82/37/229468237.db2.gz PUYFAMJCGARUOC-SECBINFHSA-N 0 0 232.352 3.815 10 0 BHAERN Cc1cccc2nc(N[C@@H](C)C3CC3)sc21 ZINC000309794181 388464901 /nfs/dbraw/zinc/46/49/01/388464901.db2.gz PUYFAMJCGARUOC-VIFPVBQESA-N 0 0 232.352 3.815 10 0 BHAERN Cc1ccc(N[C@@H]2CCC[C@H]2CCF)cc1 ZINC000309847894 388467011 /nfs/dbraw/zinc/46/70/11/388467011.db2.gz HOXQULAADABXIA-GXTWGEPZSA-N 0 0 221.319 3.935 10 0 BHAERN Cc1ccc(N[C@H]2CCC[C@H]2CCF)cc1 ZINC000309847895 388466392 /nfs/dbraw/zinc/46/63/92/388466392.db2.gz HOXQULAADABXIA-JSGCOSHPSA-N 0 0 221.319 3.935 10 0 BHAERN Cc1ccc(N[C@H]2CCC[C@@H]2CCF)cc1 ZINC000309847896 388467126 /nfs/dbraw/zinc/46/71/26/388467126.db2.gz HOXQULAADABXIA-OCCSQVGLSA-N 0 0 221.319 3.935 10 0 BHAERN Cc1ccc(N[C@@H]2CCC[C@@H]2CCF)cc1 ZINC000309848122 388466931 /nfs/dbraw/zinc/46/69/31/388466931.db2.gz HOXQULAADABXIA-TZMCWYRMSA-N 0 0 221.319 3.935 10 0 BHAERN Cc1cnc(N[C@@H](C)c2cccc(C)c2)s1 ZINC000309868269 388467972 /nfs/dbraw/zinc/46/79/72/388467972.db2.gz PMTVWQMAPYTYKU-NSHDSACASA-N 0 0 232.352 3.933 10 0 BHAERN Cc1ccc2nc(NCC3(F)CC3)sc2c1 ZINC000309885168 326173729 /nfs/dbraw/zinc/17/37/29/326173729.db2.gz XUAKEUGASLVFND-UHFFFAOYSA-N 0 0 236.315 3.519 10 0 BHAERN CC[C@H](NCC1CCC(C)CC1)C(F)(F)F ZINC000309892572 388468330 /nfs/dbraw/zinc/46/83/30/388468330.db2.gz DHJFJIRUOFIEGC-ILDUYXDCSA-N 0 0 237.309 3.743 10 0 BHAERN OCC1(CCOCc2ccccc2)CCCCC1 ZINC000309901119 398175186 /nfs/dbraw/zinc/17/51/86/398175186.db2.gz OVJFZVWOLFRMKO-UHFFFAOYSA-N 0 0 248.366 3.536 10 0 BHAERN CCCn1cc(N[C@H](CC)C(C)(C)C)cn1 ZINC000309984632 634059484 /nfs/dbraw/zinc/05/94/84/634059484.db2.gz XTVMZRQHDTZFMO-GFCCVEGCSA-N 0 0 223.364 3.530 10 0 BHAERN CCCn1cc(N[C@@H](CC)C(C)(C)C)cn1 ZINC000309984633 634030488 /nfs/dbraw/zinc/03/04/88/634030488.db2.gz XTVMZRQHDTZFMO-LBPRGKRZSA-N 0 0 223.364 3.530 10 0 BHAERN Cc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1Cl ZINC000310070496 632697911 /nfs/dbraw/zinc/69/79/11/632697911.db2.gz MISRGPCSYXFVKR-JGPRNRPPSA-N 0 0 249.741 3.633 10 0 BHAERN CC1(C)CC[C@H]1Nc1ccccc1OC(F)F ZINC000310102364 256611261 /nfs/dbraw/zinc/61/12/61/256611261.db2.gz YJNFHTUWEOOYHH-LLVKDONJSA-N 0 0 241.281 3.889 10 0 BHAERN CC1(C)CC[C@@H]1Nc1ccccc1OC(F)F ZINC000310102366 388475173 /nfs/dbraw/zinc/47/51/73/388475173.db2.gz YJNFHTUWEOOYHH-NSHDSACASA-N 0 0 241.281 3.889 10 0 BHAERN CC(C)c1ccccc1C(=O)C(F)(F)C(F)F ZINC000310114228 344234855 /nfs/dbraw/zinc/23/48/55/344234855.db2.gz SHFVTVMIWHOACH-UHFFFAOYSA-N 0 0 248.219 3.893 10 0 BHAERN CCC[C@@H]1C[C@H]1Nc1ccnc(C(F)(F)F)c1 ZINC000310198542 388477678 /nfs/dbraw/zinc/47/76/78/388477678.db2.gz ZWZUOBOMGDVPCG-PSASIEDQSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@@H]1C[C@@H]1Nc1ccnc(C(F)(F)F)c1 ZINC000310198544 388477873 /nfs/dbraw/zinc/47/78/73/388477873.db2.gz ZWZUOBOMGDVPCG-SCZZXKLOSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@H]1C[C@H]1Nc1ccnc(C(F)(F)F)c1 ZINC000310198545 388477447 /nfs/dbraw/zinc/47/74/47/388477447.db2.gz ZWZUOBOMGDVPCG-WCBMZHEXSA-N 0 0 244.260 3.701 10 0 BHAERN CCC[C@H]1C[C@@H]1Nc1ccnc(C(F)(F)F)c1 ZINC000310198546 528427090 /nfs/dbraw/zinc/42/70/90/528427090.db2.gz ZWZUOBOMGDVPCG-WPRPVWTQSA-N 0 0 244.260 3.701 10 0 BHAERN CC(C)c1cccc(NC[C@H](O)C(C)(C)C)c1 ZINC000310204179 353134521 /nfs/dbraw/zinc/13/45/21/353134521.db2.gz DCPMWUURJXPNIQ-AWEZNQCLSA-N 0 0 235.371 3.629 10 0 BHAERN CC(C)c1cccc(NC[C@@H](O)C(C)(C)C)c1 ZINC000310204180 370321621 /nfs/dbraw/zinc/32/16/21/370321621.db2.gz DCPMWUURJXPNIQ-CQSZACIVSA-N 0 0 235.371 3.629 10 0 BHAERN CC(C)CN(C(=O)OC(C)C)c1ccccc1 ZINC000310230958 635438564 /nfs/dbraw/zinc/43/85/64/635438564.db2.gz PZEBBHHYIFQIMD-UHFFFAOYSA-N 0 0 235.327 3.694 10 0 BHAERN CC(C)c1ccc(NC[C@H](O)C(C)(C)C)cc1 ZINC000310265837 259344627 /nfs/dbraw/zinc/34/46/27/259344627.db2.gz FMJQUVLOHCHJKK-AWEZNQCLSA-N 0 0 235.371 3.629 10 0 BHAERN CC(C)c1ccc(NC[C@@H](O)C(C)(C)C)cc1 ZINC000310265841 259344701 /nfs/dbraw/zinc/34/47/01/259344701.db2.gz FMJQUVLOHCHJKK-CQSZACIVSA-N 0 0 235.371 3.629 10 0 BHAERN Cc1cc(N(C)C)ccc1N[C@H]1CCC1(C)C ZINC000310425384 634147044 /nfs/dbraw/zinc/14/70/44/634147044.db2.gz ZYOLWNYBFYKFKK-AWEZNQCLSA-N 0 0 232.371 3.662 10 0 BHAERN Cc1cc(N(C)C)ccc1N[C@@H]1CCC1(C)C ZINC000310425385 632739063 /nfs/dbraw/zinc/73/90/63/632739063.db2.gz ZYOLWNYBFYKFKK-CQSZACIVSA-N 0 0 232.371 3.662 10 0 BHAERN CC(=O)Nc1ccc(N[C@H]2CCC2(C)C)cc1C ZINC000310608992 632805401 /nfs/dbraw/zinc/80/54/01/632805401.db2.gz BNTARICKTMQGFC-AWEZNQCLSA-N 0 0 246.354 3.554 10 0 BHAERN CC(=O)Nc1ccc(N[C@@H]2CCC2(C)C)cc1C ZINC000310608993 632804733 /nfs/dbraw/zinc/80/47/33/632804733.db2.gz BNTARICKTMQGFC-CQSZACIVSA-N 0 0 246.354 3.554 10 0 BHAERN CCc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1C ZINC000310615980 370356735 /nfs/dbraw/zinc/35/67/35/370356735.db2.gz HNZDVYPAIZZAKD-BTTYYORXSA-N 0 0 243.350 3.542 10 0 BHAERN CCc1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)ccc1C ZINC000310626560 370358674 /nfs/dbraw/zinc/35/86/74/370358674.db2.gz VJEUSRWGPMVTDH-BTTYYORXSA-N 0 0 243.350 3.542 10 0 BHAERN COC(C)(C)[C@@H](C)Nc1cccc2c1CCCC2 ZINC000310657507 388487736 /nfs/dbraw/zinc/48/77/36/388487736.db2.gz RCQNLOQOBBQANX-GFCCVEGCSA-N 0 0 247.382 3.791 10 0 BHAERN COC(C)(C)[C@H](C)Nc1cccc2c1CCCC2 ZINC000310657508 388487631 /nfs/dbraw/zinc/48/76/31/388487631.db2.gz RCQNLOQOBBQANX-LBPRGKRZSA-N 0 0 247.382 3.791 10 0 BHAERN CC(C)(C)[C@@H](O)CNc1ccc2ccccc2c1 ZINC000310798643 636008301 /nfs/dbraw/zinc/00/83/01/636008301.db2.gz XKKNJXGYJWDESE-HNNXBMFYSA-N 0 0 243.350 3.659 10 0 BHAERN CC(C)(C)[C@H](O)CNc1ccc2ccccc2c1 ZINC000310798647 632986537 /nfs/dbraw/zinc/98/65/37/632986537.db2.gz XKKNJXGYJWDESE-OAHLLOKOSA-N 0 0 243.350 3.659 10 0 BHAERN CCOc1ccc(N[C@H]2CCC2(C)C)cc1OC ZINC000310821804 633002392 /nfs/dbraw/zinc/00/23/92/633002392.db2.gz XGTRYXOHDSCSOD-AWEZNQCLSA-N 0 0 249.354 3.694 10 0 BHAERN c1cnc2ccc(N[C@@H]3CCC[C@H]4C[C@H]43)cc2c1 ZINC000310866898 324875141 /nfs/dbraw/zinc/87/51/41/324875141.db2.gz PXQABVBHUMHZEW-SGIREYDYSA-N 0 0 238.334 3.835 10 0 BHAERN CC1(C)CC[C@@H]1Nc1ccc(N2CCCC2)cc1 ZINC000310932638 711793764 /nfs/dbraw/zinc/79/37/64/711793764.db2.gz LZGFNWPSPBDLAX-HNNXBMFYSA-N 0 0 244.382 3.887 10 0 BHAERN CCc1nc2cc(N[C@@H]3CCC3(C)C)ccc2o1 ZINC000310940059 529748419 /nfs/dbraw/zinc/74/84/19/529748419.db2.gz NXLPTRPHLVRPCL-CYBMUJFWSA-N 0 0 244.338 3.991 10 0 BHAERN CCc1nc2cc(N[C@H]3CCC3(C)C)ccc2o1 ZINC000310940060 388490241 /nfs/dbraw/zinc/49/02/41/388490241.db2.gz NXLPTRPHLVRPCL-ZDUSSCGKSA-N 0 0 244.338 3.991 10 0 BHAERN CCC(=O)c1ccc(-c2cc(C)ns2)cc1 ZINC000311668991 641360243 /nfs/dbraw/zinc/36/02/43/641360243.db2.gz ITBBVCPBEYQIBE-UHFFFAOYSA-N 0 0 231.320 3.711 10 0 BHAERN C[C@@H](Nc1cccc(-c2cc[nH]n2)c1)[C@H]1C[C@H]1C ZINC000321015172 262811567 /nfs/dbraw/zinc/81/15/67/262811567.db2.gz APKNGFZGCDCLES-GYSYKLTISA-N 0 0 241.338 3.533 10 0 BHAERN C[C@@H](Nc1cccc(-c2cc[nH]n2)c1)[C@@H]1C[C@H]1C ZINC000321015174 262811539 /nfs/dbraw/zinc/81/15/39/262811539.db2.gz APKNGFZGCDCLES-JTNHKYCSSA-N 0 0 241.338 3.533 10 0 BHAERN C[C@H](Nc1cccc(-c2cc[nH]n2)c1)[C@H]1C[C@H]1C ZINC000321015176 490152293 /nfs/dbraw/zinc/15/22/93/490152293.db2.gz APKNGFZGCDCLES-SUNKGSAMSA-N 0 0 241.338 3.533 10 0 BHAERN C[C@H](Nc1cccc(-c2cc[nH]n2)c1)[C@@H]1C[C@H]1C ZINC000321015177 262811500 /nfs/dbraw/zinc/81/15/00/262811500.db2.gz APKNGFZGCDCLES-UHIISALHSA-N 0 0 241.338 3.533 10 0 BHAERN C[C@@H](Nc1ccc(-c2cnco2)cc1)[C@H]1C[C@H]1C ZINC000321020730 387932627 /nfs/dbraw/zinc/93/26/27/387932627.db2.gz BIOZZXZFVZOYBK-GYSYKLTISA-N 0 0 242.322 3.798 10 0 BHAERN C[C@@H](Nc1ccc(-c2cnco2)cc1)[C@@H]1C[C@H]1C ZINC000321020732 262811712 /nfs/dbraw/zinc/81/17/12/262811712.db2.gz BIOZZXZFVZOYBK-JTNHKYCSSA-N 0 0 242.322 3.798 10 0 BHAERN C[C@H](Nc1ccc(-c2cnco2)cc1)[C@H]1C[C@H]1C ZINC000321020733 387932422 /nfs/dbraw/zinc/93/24/22/387932422.db2.gz BIOZZXZFVZOYBK-SUNKGSAMSA-N 0 0 242.322 3.798 10 0 BHAERN C[C@H](Nc1ccc(-c2cnco2)cc1)[C@@H]1C[C@H]1C ZINC000321020734 490152262 /nfs/dbraw/zinc/15/22/62/490152262.db2.gz BIOZZXZFVZOYBK-UHIISALHSA-N 0 0 242.322 3.798 10 0 BHAERN CCOc1ccc(N[C@H](C)[C@@H]2C[C@@H]2C)cc1OC ZINC000321093002 636563084 /nfs/dbraw/zinc/56/30/84/636563084.db2.gz NRFGIARKSRLRRZ-DMDPSCGWSA-N 0 0 249.354 3.550 10 0 BHAERN CCOc1ccc(N[C@H](C)[C@H]2C[C@@H]2C)cc1OC ZINC000321093003 636562934 /nfs/dbraw/zinc/56/29/34/636562934.db2.gz NRFGIARKSRLRRZ-LOWVWBTDSA-N 0 0 249.354 3.550 10 0 BHAERN CCOc1ccc(N[C@H](C)[C@@H]2C[C@H]2C)cc1OC ZINC000321093004 636562797 /nfs/dbraw/zinc/56/27/97/636562797.db2.gz NRFGIARKSRLRRZ-NQBHXWOUSA-N 0 0 249.354 3.550 10 0 BHAERN CCOc1ccc(N[C@H](C)[C@H]2C[C@H]2C)cc1OC ZINC000321093005 636563202 /nfs/dbraw/zinc/56/32/02/636563202.db2.gz NRFGIARKSRLRRZ-WZRBSPASSA-N 0 0 249.354 3.550 10 0 BHAERN CC[C@H](Nc1ccccc1CCOC)[C@@H]1C[C@@H]1C ZINC000321171133 488129775 /nfs/dbraw/zinc/12/97/75/488129775.db2.gz YKBGZJQEISXKDA-CFVMTHIKSA-N 0 0 247.382 3.722 10 0 BHAERN CC[C@H](Nc1ccccc1CCOC)[C@H]1C[C@@H]1C ZINC000321171135 488129996 /nfs/dbraw/zinc/12/99/96/488129996.db2.gz YKBGZJQEISXKDA-QEJZJMRPSA-N 0 0 247.382 3.722 10 0 BHAERN CC[C@H](Nc1ccccc1CCOC)[C@H]1C[C@H]1C ZINC000321171136 488129982 /nfs/dbraw/zinc/12/99/82/488129982.db2.gz YKBGZJQEISXKDA-SNPRPXQTSA-N 0 0 247.382 3.722 10 0 BHAERN CC[C@H](Nc1ccccc1CCOC)[C@@H]1C[C@H]1C ZINC000321171138 488129763 /nfs/dbraw/zinc/12/97/63/488129763.db2.gz YKBGZJQEISXKDA-YUELXQCFSA-N 0 0 247.382 3.722 10 0 BHAERN C[C@H](Nc1ccccc1N1CCCC1)[C@@H]1C[C@H]1C ZINC000321889355 323390331 /nfs/dbraw/zinc/39/03/31/323390331.db2.gz LCFDUGMSWWZAHF-HZSPNIEDSA-N 0 0 244.382 3.743 10 0 BHAERN C[C@@H](Nc1ccccc1N1CCCC1)[C@H]1C[C@H]1C ZINC000321889356 323390445 /nfs/dbraw/zinc/39/04/45/323390445.db2.gz LCFDUGMSWWZAHF-MCIONIFRSA-N 0 0 244.382 3.743 10 0 BHAERN C[C@@H](Nc1ccccc1N1CCCC1)[C@@H]1C[C@H]1C ZINC000321889357 386164467 /nfs/dbraw/zinc/16/44/67/386164467.db2.gz LCFDUGMSWWZAHF-MGPQQGTHSA-N 0 0 244.382 3.743 10 0 BHAERN C[C@H](Nc1ccccc1N1CCCC1)[C@H]1C[C@H]1C ZINC000321889358 323390327 /nfs/dbraw/zinc/39/03/27/323390327.db2.gz LCFDUGMSWWZAHF-RDBSUJKOSA-N 0 0 244.382 3.743 10 0 BHAERN C[C@H](Nc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C ZINC000321911171 644181140 /nfs/dbraw/zinc/18/11/40/644181140.db2.gz PNIIBOSJQOMKOL-DVOMOZLQSA-N 0 0 244.382 3.743 10 0 BHAERN C[C@@H](Nc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]1C ZINC000321911172 644180700 /nfs/dbraw/zinc/18/07/00/644180700.db2.gz PNIIBOSJQOMKOL-IOASZLSFSA-N 0 0 244.382 3.743 10 0 BHAERN C[C@H](Nc1ccc(N2CCCC2)cc1)[C@H]1C[C@H]1C ZINC000321911173 644181236 /nfs/dbraw/zinc/18/12/36/644181236.db2.gz PNIIBOSJQOMKOL-WWGRRREGSA-N 0 0 244.382 3.743 10 0 BHAERN C[C@@H](Nc1ccc(N2CCCC2)cc1)[C@@H]1C[C@H]1C ZINC000321911175 644180519 /nfs/dbraw/zinc/18/05/19/644180519.db2.gz PNIIBOSJQOMKOL-XJKCOSOUSA-N 0 0 244.382 3.743 10 0 BHAERN Cc1nc2cc(N[C@H](C)[C@@H]3C[C@H]3C)ccc2o1 ZINC000322065733 387875805 /nfs/dbraw/zinc/87/58/05/387875805.db2.gz RUUYDMIFGYQRTE-KBVBSXBZSA-N 0 0 230.311 3.593 10 0 BHAERN Cc1nc2cc(N[C@H](C)[C@H]3C[C@H]3C)ccc2o1 ZINC000322065734 387875321 /nfs/dbraw/zinc/87/53/21/387875321.db2.gz RUUYDMIFGYQRTE-LNLATYFQSA-N 0 0 230.311 3.593 10 0 BHAERN Cc1nc2cc(N[C@H](C)[C@H]3C[C@@H]3C)ccc2o1 ZINC000322065735 259488258 /nfs/dbraw/zinc/48/82/58/259488258.db2.gz RUUYDMIFGYQRTE-SBMIAAHKSA-N 0 0 230.311 3.593 10 0 BHAERN Cc1nc2cc(N[C@H](C)[C@@H]3C[C@@H]3C)ccc2o1 ZINC000322065736 387875234 /nfs/dbraw/zinc/87/52/34/387875234.db2.gz RUUYDMIFGYQRTE-YGOYTEALSA-N 0 0 230.311 3.593 10 0 BHAERN C[C@@H](Nc1ccccc1OC(F)F)[C@H]1C[C@H]1C ZINC000322081408 387883857 /nfs/dbraw/zinc/88/38/57/387883857.db2.gz USPWKQLYTFAZDQ-BBBLOLIVSA-N 0 0 241.281 3.744 10 0 BHAERN C[C@H](Nc1ccccc1OC(F)F)[C@@H]1C[C@H]1C ZINC000322081409 387882801 /nfs/dbraw/zinc/88/28/01/387882801.db2.gz USPWKQLYTFAZDQ-KXUCPTDWSA-N 0 0 241.281 3.744 10 0 BHAERN C[C@@H](Nc1ccccc1OC(F)F)[C@@H]1C[C@H]1C ZINC000322081412 387883367 /nfs/dbraw/zinc/88/33/67/387883367.db2.gz USPWKQLYTFAZDQ-OPRDCNLKSA-N 0 0 241.281 3.744 10 0 BHAERN C[C@H](Nc1ccccc1OC(F)F)[C@H]1C[C@H]1C ZINC000322081417 259489382 /nfs/dbraw/zinc/48/93/82/259489382.db2.gz USPWKQLYTFAZDQ-UTLUCORTSA-N 0 0 241.281 3.744 10 0 BHAERN C[C@@H](Nc1cccc(OC(F)F)c1)[C@@H]1C[C@H]1C ZINC000322099408 387887587 /nfs/dbraw/zinc/88/75/87/387887587.db2.gz YERJUCBDVBRCSO-KBVBSXBZSA-N 0 0 241.281 3.744 10 0 BHAERN C[C@@H](Nc1cccc(OC(F)F)c1)[C@H]1C[C@H]1C ZINC000322099410 387887571 /nfs/dbraw/zinc/88/75/71/387887571.db2.gz YERJUCBDVBRCSO-LNLATYFQSA-N 0 0 241.281 3.744 10 0 BHAERN C[C@H](Nc1cccc(OC(F)F)c1)[C@H]1C[C@H]1C ZINC000322099411 387888899 /nfs/dbraw/zinc/88/88/99/387888899.db2.gz YERJUCBDVBRCSO-PTRXPTGYSA-N 0 0 241.281 3.744 10 0 BHAERN C[C@H](Nc1cccc(OC(F)F)c1)[C@@H]1C[C@H]1C ZINC000322099413 387888538 /nfs/dbraw/zinc/88/85/38/387888538.db2.gz YERJUCBDVBRCSO-VDDIYKPWSA-N 0 0 241.281 3.744 10 0 BHAERN C[C@H](Nc1cccc2ccncc21)[C@H]1C[C@H]1C ZINC000322100215 324135964 /nfs/dbraw/zinc/13/59/64/324135964.db2.gz YIMVAEOQSNOKKP-MDZLAQPJSA-N 0 0 226.323 3.691 10 0 BHAERN C[C@@H](Nc1cccc2ccncc21)[C@@H]1C[C@H]1C ZINC000322100217 324136477 /nfs/dbraw/zinc/13/64/77/324136477.db2.gz YIMVAEOQSNOKKP-NQBHXWOUSA-N 0 0 226.323 3.691 10 0 BHAERN C[C@H](Nc1cccc2ccncc21)[C@@H]1C[C@H]1C ZINC000322100219 324136839 /nfs/dbraw/zinc/13/68/39/324136839.db2.gz YIMVAEOQSNOKKP-NTZNESFSSA-N 0 0 226.323 3.691 10 0 BHAERN C[C@@H](Nc1cccc2ccncc21)[C@H]1C[C@H]1C ZINC000322100817 324136916 /nfs/dbraw/zinc/13/69/16/324136916.db2.gz YIMVAEOQSNOKKP-WZRBSPASSA-N 0 0 226.323 3.691 10 0 BHAERN CC[C@H](Nc1ccc(OC(F)F)cn1)C(C)C ZINC000327790119 387588713 /nfs/dbraw/zinc/58/87/13/387588713.db2.gz RLWCJIWOCZDWST-JTQLQIEISA-N 0 0 244.285 3.530 10 0 BHAERN CC[C@@H](Nc1ccc(OC(F)F)cn1)C(C)C ZINC000327790124 387588653 /nfs/dbraw/zinc/58/86/53/387588653.db2.gz RLWCJIWOCZDWST-SNVBAGLBSA-N 0 0 244.285 3.530 10 0 BHAERN CC1(C)OCC[C@@H]1Nc1cccc2c1CCCC2 ZINC000328192833 324228305 /nfs/dbraw/zinc/22/83/05/324228305.db2.gz AZCGYOIFZHMWNC-HNNXBMFYSA-N 0 0 245.366 3.545 10 0 BHAERN CC1(C)OCC[C@H]1Nc1cccc2c1CCCC2 ZINC000328192835 324228048 /nfs/dbraw/zinc/22/80/48/324228048.db2.gz AZCGYOIFZHMWNC-OAHLLOKOSA-N 0 0 245.366 3.545 10 0 BHAERN O=Cc1ccccc1-c1ccc2cnccc2c1 ZINC000328389350 633760270 /nfs/dbraw/zinc/76/02/70/633760270.db2.gz UBZCFQZQFCLVIB-UHFFFAOYSA-N 0 0 233.270 3.714 10 0 BHAERN Cc1ccc(C)n1Cc1ccc2cc[nH]c2c1 ZINC000328578051 386525849 /nfs/dbraw/zinc/52/58/49/386525849.db2.gz QGYAQDKWQUSQRF-UHFFFAOYSA-N 0 0 224.307 3.635 10 0 BHAERN Cc1c(C)n(C2CCCC2)c2ncnc(Cl)c12 ZINC000334163862 487859574 /nfs/dbraw/zinc/85/95/74/487859574.db2.gz PTGIYAMDTZJWGW-UHFFFAOYSA-N 0 0 249.745 3.817 10 0 BHAERN CC1(C)CC[C@H]1Nc1cc(C2CC2)ccn1 ZINC000336779628 386505892 /nfs/dbraw/zinc/50/58/92/386505892.db2.gz OYGPRUKHXUGWAM-GFCCVEGCSA-N 0 0 216.328 3.560 10 0 BHAERN CC1(C)CC[C@@H]1Nc1cc(C2CC2)ccn1 ZINC000336779629 353560472 /nfs/dbraw/zinc/56/04/72/353560472.db2.gz OYGPRUKHXUGWAM-LBPRGKRZSA-N 0 0 216.328 3.560 10 0 BHAERN Cc1nc(N[C@H](C)c2cccc(O)c2)sc1C ZINC000362355122 180024443 /nfs/dbraw/zinc/02/44/43/180024443.db2.gz YTDONJUUNGLHGH-SECBINFHSA-N 0 0 248.351 3.639 10 0 BHAERN C[C@@H]1C[C@H]1Nc1ccc2c(Cl)cccc2n1 ZINC000378674181 346802409 /nfs/dbraw/zinc/80/24/09/346802409.db2.gz NIWCXHLCOVJFHM-PRHODGIISA-N 0 0 232.714 3.709 10 0 BHAERN Clc1ccccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000378680425 346805765 /nfs/dbraw/zinc/80/57/65/346805765.db2.gz VKQGBDANHRZAGN-HOSYDEDBSA-N 0 0 221.731 3.941 10 0 BHAERN Clc1ccccc1N[C@H]1CCC[C@H]2C[C@H]21 ZINC000378680426 345460262 /nfs/dbraw/zinc/46/02/62/345460262.db2.gz VKQGBDANHRZAGN-UMNHJUIQSA-N 0 0 221.731 3.941 10 0 BHAERN CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1sccc1OC ZINC000378729545 346816560 /nfs/dbraw/zinc/81/65/60/346816560.db2.gz KJGZLCOMFHHZCU-GMTAPVOTSA-N 0 0 239.384 3.596 10 0 BHAERN CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1sccc1OC ZINC000378729546 346816893 /nfs/dbraw/zinc/81/68/93/346816893.db2.gz KJGZLCOMFHHZCU-HBNTYKKESA-N 0 0 239.384 3.596 10 0 BHAERN C[C@@H]1C[C@H]1Nc1ccnc2c(Cl)cccc12 ZINC000378733443 346820302 /nfs/dbraw/zinc/82/03/02/346820302.db2.gz LXMJYTNBSBDNNI-PRHODGIISA-N 0 0 232.714 3.709 10 0 BHAERN Cc1ccccc1N[C@H]1CCC[C@H]2C[C@H]21 ZINC000378783019 488105184 /nfs/dbraw/zinc/10/51/84/488105184.db2.gz KGQZZMXZJNIZLE-SCRDCRAPSA-N 0 0 201.313 3.596 10 0 BHAERN c1cnc2ccc(N[C@H]3CCC[C@H]4C[C@H]43)cc2c1 ZINC000378890562 346853732 /nfs/dbraw/zinc/85/37/32/346853732.db2.gz PXQABVBHUMHZEW-PEYYIBSZSA-N 0 0 238.334 3.835 10 0 BHAERN C/C=C\CNc1ccc(Cl)c(Cl)c1 ZINC000379259765 360610232 /nfs/dbraw/zinc/61/02/32/360610232.db2.gz VFTIVLHHKVIICP-IHWYPQMZSA-N 0 0 216.111 3.981 10 0 BHAERN C/C=C\C(=O)c1c(Cl)cccc1Cl ZINC000379286304 372967882 /nfs/dbraw/zinc/96/78/82/372967882.db2.gz KMJPPNWQQSOQGM-RQOWECAXSA-N 0 0 215.079 3.752 10 0 BHAERN C/C(=C/Cl)C[C@H]1CCCCCC1=O ZINC000379300854 360630548 /nfs/dbraw/zinc/63/05/48/360630548.db2.gz PZWWUJPCVPHZCJ-HSTULFTRSA-N 0 0 200.709 3.669 10 0 BHAERN C/C(=C/Cl)C[C@@H]1CCCCCC1=O ZINC000379300856 360629697 /nfs/dbraw/zinc/62/96/97/360629697.db2.gz PZWWUJPCVPHZCJ-QROTZFDESA-N 0 0 200.709 3.669 10 0 BHAERN O=CCCSc1cc(Cl)cc(Cl)c1 ZINC000379361356 360756489 /nfs/dbraw/zinc/75/64/89/360756489.db2.gz CEGKXVVWXRIOJO-UHFFFAOYSA-N 0 0 235.135 3.675 10 0 BHAERN Cc1cccc([C@H](C)Nc2nccs2)c1 ZINC000379420665 712384250 /nfs/dbraw/zinc/38/42/50/712384250.db2.gz XHAIKKTVWMKWBK-JTQLQIEISA-N 0 0 218.325 3.625 10 0 BHAERN Cc1cccc([C@@H](C)Nc2nccs2)c1 ZINC000379420666 712384453 /nfs/dbraw/zinc/38/44/53/712384453.db2.gz XHAIKKTVWMKWBK-SNVBAGLBSA-N 0 0 218.325 3.625 10 0 BHAERN Cc1cccc2c1ccn2C/C=C\Cl ZINC000379438230 372999431 /nfs/dbraw/zinc/99/94/31/372999431.db2.gz OPKSXGRXFMOJLQ-CLTKARDFSA-N 0 0 205.688 3.702 10 0 BHAERN CSCCC(=O)c1c(C)cccc1Cl ZINC000379543577 361071409 /nfs/dbraw/zinc/07/14/09/361071409.db2.gz SQFANYZJJKQELC-UHFFFAOYSA-N 0 0 228.744 3.584 10 0 BHAERN CCC[C@H](C)n1ccc2cc(N)ccc21 ZINC000379602669 582682449 /nfs/dbraw/zinc/68/24/49/582682449.db2.gz RUOXPGQDHYOMBA-JTQLQIEISA-N 0 0 202.301 3.585 10 0 BHAERN CCC[C@@H](C)n1ccc2cc(N)ccc21 ZINC000379602675 582682509 /nfs/dbraw/zinc/68/25/09/582682509.db2.gz RUOXPGQDHYOMBA-SNVBAGLBSA-N 0 0 202.301 3.585 10 0 BHAERN CCC(CC)n1ccc2ccc(N)cc21 ZINC000379654109 582683129 /nfs/dbraw/zinc/68/31/29/582683129.db2.gz UCWYEJRYKNDIKW-UHFFFAOYSA-N 0 0 202.301 3.585 10 0 BHAERN COC(=O)/C=C(\C)c1ccc(Cl)cc1Cl ZINC000379672499 373038727 /nfs/dbraw/zinc/03/87/27/373038727.db2.gz FYVVJXPIYQIDAC-FNORWQNLSA-N 0 0 245.105 3.570 10 0 BHAERN COc1cc(C(=O)C(C)C)c(Cl)cc1Cl ZINC000379787179 373061100 /nfs/dbraw/zinc/06/11/00/373061100.db2.gz BPHANOJXVGMPER-UHFFFAOYSA-N 0 0 247.121 3.841 10 0 BHAERN C/C=C(\CC)C(=O)c1cc(F)ccc1C ZINC000379792417 361766911 /nfs/dbraw/zinc/76/69/11/361766911.db2.gz GWTAEFUZFDBOJF-ONNFQVAWSA-N 0 0 206.260 3.673 10 0 BHAERN Cc1cccc(C(=O)CC(F)(F)F)c1Cl ZINC000379809648 361791402 /nfs/dbraw/zinc/79/14/02/361791402.db2.gz ZBEXKJIDRALFCF-UHFFFAOYSA-N 0 0 236.620 3.784 10 0 BHAERN CC1(C)CC[C@@H]1Nc1cccc2ccncc21 ZINC000379858205 365323032 /nfs/dbraw/zinc/32/30/32/365323032.db2.gz IQKINBWASWAYKT-AWEZNQCLSA-N 0 0 226.323 3.835 10 0 BHAERN CC1(C)CC[C@H]1Nc1cccc2ccncc21 ZINC000379858206 365322918 /nfs/dbraw/zinc/32/29/18/365322918.db2.gz IQKINBWASWAYKT-CQSZACIVSA-N 0 0 226.323 3.835 10 0 BHAERN CC(C)c1ccccc1N[C@H](C)[C@@H]1CCCO1 ZINC000379866702 538981147 /nfs/dbraw/zinc/98/11/47/538981147.db2.gz NCRXJMDKEKOIBD-DOMZBBRYSA-N 0 0 233.355 3.789 10 0 BHAERN CC(C)c1ccccc1N[C@H](C)[C@H]1CCCO1 ZINC000379866705 538980956 /nfs/dbraw/zinc/98/09/56/538980956.db2.gz NCRXJMDKEKOIBD-IUODEOHRSA-N 0 0 233.355 3.789 10 0 BHAERN CC(C)c1ccccc1N[C@@H](C)[C@H]1CCCO1 ZINC000379866708 538980950 /nfs/dbraw/zinc/98/09/50/538980950.db2.gz NCRXJMDKEKOIBD-SWLSCSKDSA-N 0 0 233.355 3.789 10 0 BHAERN CC(C)c1ccccc1N[C@@H](C)[C@@H]1CCCO1 ZINC000379866710 538981213 /nfs/dbraw/zinc/98/12/13/538981213.db2.gz NCRXJMDKEKOIBD-WFASDCNBSA-N 0 0 233.355 3.789 10 0 BHAERN Nc1ccccc1-c1c(F)cccc1Cl ZINC000379898125 388702339 /nfs/dbraw/zinc/70/23/39/388702339.db2.gz DGIVBFAGWPVUNT-UHFFFAOYSA-N 0 0 221.662 3.728 10 0 BHAERN C=CCS[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000379902483 373087409 /nfs/dbraw/zinc/08/74/09/373087409.db2.gz GKDGQNISQIGYPS-SECBINFHSA-N 0 0 240.755 3.830 10 0 BHAERN C=CCS[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000379902489 343652404 /nfs/dbraw/zinc/65/24/04/343652404.db2.gz GKDGQNISQIGYPS-VIFPVBQESA-N 0 0 240.755 3.830 10 0 BHAERN Cc1nnsc1CNc1ccccc1C(C)C ZINC000379979850 398179797 /nfs/dbraw/zinc/17/97/97/398179797.db2.gz PFWYWUJKAYGSAN-UHFFFAOYSA-N 0 0 247.367 3.582 10 0 BHAERN C/C=C(\CC)C(=O)c1ccc(F)c(F)c1 ZINC000379983922 351306852 /nfs/dbraw/zinc/30/68/52/351306852.db2.gz UAWPJHGOWKZPFL-FPYGCLRLSA-N 0 0 210.223 3.504 10 0 BHAERN CCCOC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000380014512 712669946 /nfs/dbraw/zinc/66/99/46/712669946.db2.gz MTIZVTKZOFJSER-SSDOTTSWSA-N 0 0 247.747 3.599 10 0 BHAERN CCCOC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000380014513 712670006 /nfs/dbraw/zinc/67/00/06/712670006.db2.gz MTIZVTKZOFJSER-ZETCQYMHSA-N 0 0 247.747 3.599 10 0 BHAERN CC(C)c1cccc(C(=O)C(F)(F)Cl)c1 ZINC000380048172 351332290 /nfs/dbraw/zinc/33/22/90/351332290.db2.gz WEUYONXUUDDSGB-UHFFFAOYSA-N 0 0 232.657 3.824 10 0 BHAERN Cc1ccc([C@@H](C)Nc2ncc(Cl)s2)o1 ZINC000380273962 538987979 /nfs/dbraw/zinc/98/79/79/538987979.db2.gz XFRKWLBUUYHGKN-SSDOTTSWSA-N 0 0 242.731 3.871 10 0 BHAERN Cc1ccc([C@H](C)Nc2ncc(Cl)s2)o1 ZINC000380273963 538987903 /nfs/dbraw/zinc/98/79/03/538987903.db2.gz XFRKWLBUUYHGKN-ZETCQYMHSA-N 0 0 242.731 3.871 10 0 BHAERN COc1cccc2c1cccc2C(F)(F)F ZINC000380464962 357091961 /nfs/dbraw/zinc/09/19/61/357091961.db2.gz AQTXFOVPNMBLBU-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN COc1ccc(C(F)F)c(OC(F)(F)F)c1 ZINC000380472191 373268667 /nfs/dbraw/zinc/26/86/67/373268667.db2.gz IKULHPNUNVKGDN-UHFFFAOYSA-N 0 0 242.143 3.531 10 0 BHAERN O=[N+]([O-])c1cccc(C(F)F)c1C(F)(F)F ZINC000380482575 357191556 /nfs/dbraw/zinc/19/15/56/357191556.db2.gz VEDDFENCZBAMQE-UHFFFAOYSA-N 0 0 241.115 3.551 10 0 BHAERN Cc1nccc(Cl)c1-c1cccc(F)c1F ZINC000380486861 538990248 /nfs/dbraw/zinc/99/02/48/538990248.db2.gz ZVWOXELLENWBTF-UHFFFAOYSA-N 0 0 239.652 3.989 10 0 BHAERN Fc1ccc2cc(OC(F)(F)F)ccc2c1 ZINC000380489700 357212254 /nfs/dbraw/zinc/21/22/54/357212254.db2.gz MUKCIWSHZNADTE-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN CC(C)[C@H](C=O)c1ccc2ccccc2c1 ZINC000380511752 357271317 /nfs/dbraw/zinc/27/13/17/357271317.db2.gz OAHDCABHJIMVQR-HNNXBMFYSA-N 0 0 212.292 3.778 10 0 BHAERN CC(C)[C@@H](C=O)c1ccc2ccccc2c1 ZINC000380511760 357270926 /nfs/dbraw/zinc/27/09/26/357270926.db2.gz OAHDCABHJIMVQR-OAHLLOKOSA-N 0 0 212.292 3.778 10 0 BHAERN Fc1cc(OC(F)(F)F)cc2ccccc12 ZINC000380609781 352555215 /nfs/dbraw/zinc/55/52/15/352555215.db2.gz XTIRCRMXMMBTBX-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN CC(C)C1CCC(CNCC(F)(F)F)CC1 ZINC000380648998 367267432 /nfs/dbraw/zinc/26/74/32/367267432.db2.gz OTCPWMAHZZYKPN-UHFFFAOYSA-N 0 0 237.309 3.601 10 0 BHAERN CN(C)c1cccc(C(=O)CCC2CCCC2)c1 ZINC000380688298 373460238 /nfs/dbraw/zinc/46/02/38/373460238.db2.gz SQTQNTMMOUCWQP-UHFFFAOYSA-N 0 0 245.366 3.906 10 0 BHAERN O=Cc1cccc2ccc(C(F)(F)F)cc12 ZINC000380752189 344436247 /nfs/dbraw/zinc/43/62/47/344436247.db2.gz UJEYBTYZYJNPCV-UHFFFAOYSA-N 0 0 224.181 3.671 10 0 BHAERN COc1cccc2cccc(C(F)(F)F)c21 ZINC000380784955 359641925 /nfs/dbraw/zinc/64/19/25/359641925.db2.gz CREVKNRUAVUGHT-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN COc1ccc(N[C@@H]2CCC2(C)C)cc1Cl ZINC000380847282 710591970 /nfs/dbraw/zinc/59/19/70/710591970.db2.gz WUBKMIHMAREYFY-GFCCVEGCSA-N 0 0 239.746 3.949 10 0 BHAERN COc1ccc(N[C@H]2CCC2(C)C)cc1Cl ZINC000380847290 710592322 /nfs/dbraw/zinc/59/23/22/710592322.db2.gz WUBKMIHMAREYFY-LBPRGKRZSA-N 0 0 239.746 3.949 10 0 BHAERN COc1ccc(C(F)F)cc1OC(F)(F)F ZINC000380854963 373577109 /nfs/dbraw/zinc/57/71/09/373577109.db2.gz YOKOZDWEMAJGGV-UHFFFAOYSA-N 0 0 242.143 3.531 10 0 BHAERN CC(=O)c1cccc(N[C@H](C)CC(C)C)c1 ZINC000380872751 367320121 /nfs/dbraw/zinc/32/01/21/367320121.db2.gz RDCMGCRQXKUJQO-LLVKDONJSA-N 0 0 219.328 3.736 10 0 BHAERN CC(=O)c1cccc(N[C@@H](C)CC(C)C)c1 ZINC000380872756 367320762 /nfs/dbraw/zinc/32/07/62/367320762.db2.gz RDCMGCRQXKUJQO-NSHDSACASA-N 0 0 219.328 3.736 10 0 BHAERN Cc1nc2cc(N[C@@H]3CCC[C@H]4C[C@H]43)ccc2o1 ZINC000380957485 367324579 /nfs/dbraw/zinc/32/45/79/367324579.db2.gz AJYRPJQUSHLAGZ-CYZMBNFOSA-N 0 0 242.322 3.737 10 0 BHAERN Cc1c(C(=O)C(C)C)cccc1C(F)(F)F ZINC000381071496 360598356 /nfs/dbraw/zinc/59/83/56/360598356.db2.gz OLZGLAMZZFLZEN-UHFFFAOYSA-N 0 0 230.229 3.853 10 0 BHAERN Cc1cc(C)c(C)c(C(=O)C(F)(F)Cl)c1C ZINC000381093080 360628585 /nfs/dbraw/zinc/62/85/85/360628585.db2.gz VTTMQKGVVZFQIP-UHFFFAOYSA-N 0 0 246.684 3.935 10 0 BHAERN C/C=C\C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000381109025 373854792 /nfs/dbraw/zinc/85/47/92/373854792.db2.gz ZLZZECYQGRXEGS-IHWYPQMZSA-N 0 0 232.176 3.603 10 0 BHAERN C/C=C/C(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000381109027 373855129 /nfs/dbraw/zinc/85/51/29/373855129.db2.gz ZLZZECYQGRXEGS-NSCUHMNNSA-N 0 0 232.176 3.603 10 0 BHAERN CCCC(=O)c1ccc(F)cc1C(F)(F)F ZINC000381362200 361377213 /nfs/dbraw/zinc/37/72/13/361377213.db2.gz FFVKNIBHNIEPCU-UHFFFAOYSA-N 0 0 234.192 3.827 10 0 BHAERN CC(C)C(=O)c1cccc(F)c1C(F)(F)F ZINC000381518461 361475948 /nfs/dbraw/zinc/47/59/48/361475948.db2.gz TXKGDXDHYANLFL-UHFFFAOYSA-N 0 0 234.192 3.683 10 0 BHAERN C/C=C\C(=O)c1ccc(F)cc1C(F)(F)F ZINC000381597459 361498313 /nfs/dbraw/zinc/49/83/13/361498313.db2.gz KRJGQTKXCPMLFP-IHWYPQMZSA-N 0 0 232.176 3.603 10 0 BHAERN C/C=C/C(=O)c1ccc(F)cc1C(F)(F)F ZINC000381597469 361497936 /nfs/dbraw/zinc/49/79/36/361497936.db2.gz KRJGQTKXCPMLFP-NSCUHMNNSA-N 0 0 232.176 3.603 10 0 BHAERN CCC[C@H](C)n1ccc2ccc(N)cc21 ZINC000382370655 582702168 /nfs/dbraw/zinc/70/21/68/582702168.db2.gz FHBDGQWTZKLILV-JTQLQIEISA-N 0 0 202.301 3.585 10 0 BHAERN CCC[C@@H](C)n1ccc2ccc(N)cc21 ZINC000382370656 582702305 /nfs/dbraw/zinc/70/23/05/582702305.db2.gz FHBDGQWTZKLILV-SNVBAGLBSA-N 0 0 202.301 3.585 10 0 BHAERN CC[C@H](C(=O)C#Cc1ccccc1)c1ccccc1 ZINC000382642690 361967082 /nfs/dbraw/zinc/96/70/82/361967082.db2.gz QHXZZLBOMYDKAK-KRWDZBQOSA-N 0 0 248.325 3.801 10 0 BHAERN CC[C@@H](C(=O)C#Cc1ccccc1)c1ccccc1 ZINC000382642691 361967741 /nfs/dbraw/zinc/96/77/41/361967741.db2.gz QHXZZLBOMYDKAK-QGZVFWFLSA-N 0 0 248.325 3.801 10 0 BHAERN CCCC(CCC)C(=O)C#Cc1ccccc1 ZINC000382646647 361970163 /nfs/dbraw/zinc/97/01/63/361970163.db2.gz ZCHDOMDTBRSHLF-UHFFFAOYSA-N 0 0 228.335 3.824 10 0 BHAERN CC[C@@H](C)C(=O)c1cccc(SC)c1 ZINC000382672441 361973268 /nfs/dbraw/zinc/97/32/68/361973268.db2.gz ARVOHNCCYXPRMP-SECBINFHSA-N 0 0 208.326 3.637 10 0 BHAERN CC[C@H](C)C(=O)c1cccc(SC)c1 ZINC000382672442 361973376 /nfs/dbraw/zinc/97/33/76/361973376.db2.gz ARVOHNCCYXPRMP-VIFPVBQESA-N 0 0 208.326 3.637 10 0 BHAERN CC(C)c1cccc(C(=O)C2CCC2)c1 ZINC000382672960 361973175 /nfs/dbraw/zinc/97/31/75/361973175.db2.gz DLEOXRSZNQTIMK-UHFFFAOYSA-N 0 0 202.297 3.793 10 0 BHAERN CC(C)=CC(=O)c1cc(F)c(Cl)c(F)c1 ZINC000382673954 350945934 /nfs/dbraw/zinc/94/59/34/350945934.db2.gz IELUHQZIJDYSRY-UHFFFAOYSA-N 0 0 230.641 3.767 10 0 BHAERN CSc1cccc(C(=O)CC(F)(F)F)c1 ZINC000382674533 361973889 /nfs/dbraw/zinc/97/38/89/361973889.db2.gz KUMUIUQNLGVNOI-UHFFFAOYSA-N 0 0 234.242 3.544 10 0 BHAERN CSc1cccc(C(=O)C2CCCC2)c1 ZINC000382674884 361974334 /nfs/dbraw/zinc/97/43/34/361974334.db2.gz MEBRXKDSIOGHBA-UHFFFAOYSA-N 0 0 220.337 3.781 10 0 BHAERN CCCCc1ccc(C(=O)CCSC)cc1 ZINC000382675426 361974149 /nfs/dbraw/zinc/97/41/49/361974149.db2.gz OEROZLKGFJHYQS-UHFFFAOYSA-N 0 0 236.380 3.965 10 0 BHAERN CSc1cccc(C(=O)Cc2cccs2)c1 ZINC000382675465 361973979 /nfs/dbraw/zinc/97/39/79/361973979.db2.gz OFKOUOCQTBBXIZ-UHFFFAOYSA-N 0 0 248.372 3.895 10 0 BHAERN CSCCC(=O)c1cccc(C(C)(C)C)c1 ZINC000382675871 361974251 /nfs/dbraw/zinc/97/42/51/361974251.db2.gz PWHAUPAIGISTNG-UHFFFAOYSA-N 0 0 236.380 3.920 10 0 BHAERN CSc1ccccc1C(=O)CC(F)(F)F ZINC000382675926 361973900 /nfs/dbraw/zinc/97/39/00/361973900.db2.gz QUKIJBLDBHHXGK-UHFFFAOYSA-N 0 0 234.242 3.544 10 0 BHAERN CC(C)(C)c1cccc(C(=O)C2CC2)c1 ZINC000382676175 361973725 /nfs/dbraw/zinc/97/37/25/361973725.db2.gz RMGHFLXXZLPPRD-UHFFFAOYSA-N 0 0 202.297 3.577 10 0 BHAERN CSCCC(=O)c1cccc(C(C)C)c1 ZINC000382676893 361974264 /nfs/dbraw/zinc/97/42/64/361974264.db2.gz VRGQUCRAZNWKDB-UHFFFAOYSA-N 0 0 222.353 3.746 10 0 BHAERN C=CCCC(=O)c1cc(F)c(Cl)c(F)c1 ZINC000382677231 361974454 /nfs/dbraw/zinc/97/44/54/361974454.db2.gz XAAMLLGZLATMDT-UHFFFAOYSA-N 0 0 230.641 3.767 10 0 BHAERN CC(C)(C)c1cccc(C(=O)C2CCC2)c1 ZINC000382677480 361973962 /nfs/dbraw/zinc/97/39/62/361973962.db2.gz YQTYRJWZXZTREM-UHFFFAOYSA-N 0 0 216.324 3.967 10 0 BHAERN CC(C)c1cccc(C(=O)CC(F)(F)F)c1 ZINC000382677535 361974036 /nfs/dbraw/zinc/97/40/36/361974036.db2.gz YTDPITHWVHAVPC-UHFFFAOYSA-N 0 0 230.229 3.945 10 0 BHAERN Cc1cc(Cl)ccc1C(=O)CC(F)(F)F ZINC000382681876 374254213 /nfs/dbraw/zinc/25/42/13/374254213.db2.gz BQBUUQIWQGLTOA-UHFFFAOYSA-N 0 0 236.620 3.784 10 0 BHAERN Cc1cc(C(=O)CC(F)(F)F)ccc1Cl ZINC000382682809 374254144 /nfs/dbraw/zinc/25/41/44/374254144.db2.gz CGVIQCMFMWQETH-UHFFFAOYSA-N 0 0 236.620 3.784 10 0 BHAERN CCSc1ccc(C(=O)CC(F)(F)F)cc1 ZINC000382683751 374254459 /nfs/dbraw/zinc/25/44/59/374254459.db2.gz CYNXESQTPWGQKB-UHFFFAOYSA-N 0 0 248.269 3.934 10 0 BHAERN Cc1c(F)cccc1C(=O)Cc1ccccc1 ZINC000382684155 374256459 /nfs/dbraw/zinc/25/64/59/374256459.db2.gz DCCAKFRYCJZWKC-UHFFFAOYSA-N 0 0 228.266 3.560 10 0 BHAERN CCC[C@@H](C)C(=O)c1cccc(F)c1C ZINC000382685687 374256158 /nfs/dbraw/zinc/25/61/58/374256158.db2.gz FGIVBRZXPCZWEY-SECBINFHSA-N 0 0 208.276 3.753 10 0 BHAERN CCC[C@H](C)C(=O)c1cccc(F)c1C ZINC000382685688 374256666 /nfs/dbraw/zinc/25/66/66/374256666.db2.gz FGIVBRZXPCZWEY-VIFPVBQESA-N 0 0 208.276 3.753 10 0 BHAERN C=Cc1ccc(C(=O)C(CC)CC)cc1 ZINC000382687529 361975191 /nfs/dbraw/zinc/97/51/91/361975191.db2.gz GRQDLVXZAZXVBB-UHFFFAOYSA-N 0 0 202.297 3.949 10 0 BHAERN Cc1c(F)cccc1C(=O)CCc1ccccc1 ZINC000382687546 361975174 /nfs/dbraw/zinc/97/51/74/361975174.db2.gz GSAGXRPETUUKJC-UHFFFAOYSA-N 0 0 242.293 3.950 10 0 BHAERN O=C(CC(F)(F)F)c1cc(F)cc(Cl)c1 ZINC000382690459 374256349 /nfs/dbraw/zinc/25/63/49/374256349.db2.gz IAGOVDYULWTBQQ-UHFFFAOYSA-N 0 0 240.583 3.614 10 0 BHAERN C=Cc1ccc(C(=O)Cc2cccs2)cc1 ZINC000382693617 374256049 /nfs/dbraw/zinc/25/60/49/374256049.db2.gz JTEIKNSCQYHBBE-UHFFFAOYSA-N 0 0 228.316 3.817 10 0 BHAERN Cc1c(F)cccc1C(=O)Cc1cccs1 ZINC000382695367 374256826 /nfs/dbraw/zinc/25/68/26/374256826.db2.gz KOHSPWIKPZILHI-UHFFFAOYSA-N 0 0 234.295 3.621 10 0 BHAERN C=Cc1ccc(C(=O)C(C)(C)CC)cc1 ZINC000382696881 374256192 /nfs/dbraw/zinc/25/61/92/374256192.db2.gz LEZBZJAHKBTTMN-UHFFFAOYSA-N 0 0 202.297 3.949 10 0 BHAERN O=C(CC(F)(F)F)c1ccc(F)c(Cl)c1 ZINC000382697711 374256777 /nfs/dbraw/zinc/25/67/77/374256777.db2.gz LUXSIFLQPFOURJ-UHFFFAOYSA-N 0 0 240.583 3.614 10 0 BHAERN C=Cc1ccc(C(=O)C2CCCC2)cc1 ZINC000382697772 374256138 /nfs/dbraw/zinc/25/61/38/374256138.db2.gz LXWORABDGFYNSM-UHFFFAOYSA-N 0 0 200.281 3.703 10 0 BHAERN O=C(CC(F)(F)F)c1ccc(Cl)c(F)c1 ZINC000382699380 374256898 /nfs/dbraw/zinc/25/68/98/374256898.db2.gz NEHPYRNBGDGBAJ-UHFFFAOYSA-N 0 0 240.583 3.614 10 0 BHAERN Cc1cc(C(=O)C2CCC2)cc(C)c1Cl ZINC000382701595 361977474 /nfs/dbraw/zinc/97/74/74/361977474.db2.gz OSJJJJSZAJTJOL-UHFFFAOYSA-N 0 0 222.715 3.940 10 0 BHAERN CCC(C)(C)C(=O)c1cccc(F)c1C ZINC000382702870 361977941 /nfs/dbraw/zinc/97/79/41/361977941.db2.gz PVJWTTSYYKMZRE-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN Cc1c(C(=O)C2CC2)cccc1C(F)(F)F ZINC000382703433 361978083 /nfs/dbraw/zinc/97/80/83/361978083.db2.gz DNDAFVGTOAJYIJ-UHFFFAOYSA-N 0 0 228.213 3.607 10 0 BHAERN CSCCC(=O)c1cc(C)c(Cl)c(C)c1 ZINC000382705288 361977413 /nfs/dbraw/zinc/97/74/13/361977413.db2.gz SDQODVUELOQPQE-UHFFFAOYSA-N 0 0 242.771 3.893 10 0 BHAERN C=CCCC(=O)c1cc(F)cc(Cl)c1 ZINC000382706290 361977919 /nfs/dbraw/zinc/97/79/19/361977919.db2.gz TVPRBDIBXLQTIH-UHFFFAOYSA-N 0 0 212.651 3.628 10 0 BHAERN O=C(c1cc(F)c(Cl)c(F)c1)C1CCCC1 ZINC000382707896 361977926 /nfs/dbraw/zinc/97/79/26/361977926.db2.gz VFVKNYDQCIXHIN-UHFFFAOYSA-N 0 0 244.668 3.991 10 0 BHAERN CCC(CC)C(=O)c1cccc(F)c1C ZINC000382709290 361975588 /nfs/dbraw/zinc/97/55/88/361975588.db2.gz WNWADZHUEKIWKV-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN CC(C)=CC(=O)c1ccc(F)cc1C(F)(F)F ZINC000382709469 361974950 /nfs/dbraw/zinc/97/49/50/361974950.db2.gz GKSXITBZGCSZNI-UHFFFAOYSA-N 0 0 246.203 3.993 10 0 BHAERN Cc1c(Cl)cccc1C(=O)CC(F)(F)F ZINC000382709831 351027428 /nfs/dbraw/zinc/02/74/28/351027428.db2.gz XAKNDVVUEUYYPZ-UHFFFAOYSA-N 0 0 236.620 3.784 10 0 BHAERN COc1cc(F)cc(C(=O)C2CCCCC2)c1 ZINC000382712026 388275876 /nfs/dbraw/zinc/27/58/76/388275876.db2.gz ZOEWMUOBJHBUHV-UHFFFAOYSA-N 0 0 236.286 3.597 10 0 BHAERN Cc1c(F)cccc1C(=O)C1CCCCC1 ZINC000382712245 361976850 /nfs/dbraw/zinc/97/68/50/361976850.db2.gz ZTXXXLQREIMYPG-UHFFFAOYSA-N 0 0 220.287 3.897 10 0 BHAERN C=CC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000382721285 361976574 /nfs/dbraw/zinc/97/65/74/361976574.db2.gz NOXIUFRCFHTRNS-UHFFFAOYSA-N 0 0 234.604 3.728 10 0 BHAERN O=C(c1ccc(Cl)cc1C(F)(F)F)C1CC1 ZINC000382721795 361976063 /nfs/dbraw/zinc/97/60/63/361976063.db2.gz NWYYFQANOYARAF-UHFFFAOYSA-N 0 0 248.631 3.952 10 0 BHAERN O=C(c1ccc(F)cc1C(F)(F)F)C1CCC1 ZINC000382722838 361976692 /nfs/dbraw/zinc/97/66/92/361976692.db2.gz OIFIDGFBQCCJRM-UHFFFAOYSA-N 0 0 246.203 3.827 10 0 BHAERN O=C(c1ccc(C(F)(F)F)c(Cl)c1)C1CC1 ZINC000382727927 361976303 /nfs/dbraw/zinc/97/63/03/361976303.db2.gz RUQRYLQNYBKQJU-UHFFFAOYSA-N 0 0 248.631 3.952 10 0 BHAERN CCc1cc(C(=O)C2CCC2)ccc1Cl ZINC000382733476 361976004 /nfs/dbraw/zinc/97/60/04/361976004.db2.gz VRTSQHIRYDYDOL-UHFFFAOYSA-N 0 0 222.715 3.885 10 0 BHAERN C=CC(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000382739223 361977810 /nfs/dbraw/zinc/97/78/10/361977810.db2.gz YREKMHLBFZMGIL-UHFFFAOYSA-N 0 0 234.604 3.728 10 0 BHAERN CCCc1ncc(-c2ccc(C=O)cc2)s1 ZINC000382741698 351041750 /nfs/dbraw/zinc/04/17/50/351041750.db2.gz AMLUGTTVBLZYPI-UHFFFAOYSA-N 0 0 231.320 3.575 10 0 BHAERN Fc1ccc(-c2nc(Cl)ncc2Cl)cc1 ZINC000382769235 342903713 /nfs/dbraw/zinc/90/37/13/342903713.db2.gz FYRORHXGYAMTMJ-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Cc1cc([C@@H](O)c2ccc(C(C)C)cc2)sn1 ZINC000383071487 352341936 /nfs/dbraw/zinc/34/19/36/352341936.db2.gz QDFFPKDPEXXPFW-AWEZNQCLSA-N 0 0 247.363 3.657 10 0 BHAERN Cc1cc([C@H](O)c2ccc(C(C)C)cc2)sn1 ZINC000383071490 352341863 /nfs/dbraw/zinc/34/18/63/352341863.db2.gz QDFFPKDPEXXPFW-CQSZACIVSA-N 0 0 247.363 3.657 10 0 BHAERN CC1(C)CC[C@H]1Nc1cccc(OC(F)F)c1 ZINC000383366028 367617131 /nfs/dbraw/zinc/61/71/31/367617131.db2.gz VEGMWANXFXKASA-LLVKDONJSA-N 0 0 241.281 3.889 10 0 BHAERN CC1(C)CC[C@@H]1Nc1cccc(OC(F)F)c1 ZINC000383366029 367616641 /nfs/dbraw/zinc/61/66/41/367616641.db2.gz VEGMWANXFXKASA-NSHDSACASA-N 0 0 241.281 3.889 10 0 BHAERN OCC1(c2c(Cl)cccc2Cl)CCCC1 ZINC000383422051 398196375 /nfs/dbraw/zinc/19/63/75/398196375.db2.gz PPPXFMLPCIOQPS-UHFFFAOYSA-N 0 0 245.149 3.798 10 0 BHAERN CCCc1ccccc1-c1ncc(N)cc1C ZINC000384473629 343189199 /nfs/dbraw/zinc/18/91/99/343189199.db2.gz UBJDMJHLLAAIQD-UHFFFAOYSA-N 0 0 226.323 3.592 10 0 BHAERN CC(C)c1ccccc1N[C@H]1C[C@@H](C)O[C@@H]1C ZINC000384784712 367730975 /nfs/dbraw/zinc/73/09/75/367730975.db2.gz QKRDOTBSTOBSGI-JMSVASOKSA-N 0 0 233.355 3.788 10 0 BHAERN CC(C)c1ccccc1N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384784714 367731606 /nfs/dbraw/zinc/73/16/06/367731606.db2.gz QKRDOTBSTOBSGI-LALPHHSUSA-N 0 0 233.355 3.788 10 0 BHAERN CC(C)c1ccccc1N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000384784722 367731327 /nfs/dbraw/zinc/73/13/27/367731327.db2.gz QKRDOTBSTOBSGI-TYNCELHUSA-N 0 0 233.355 3.788 10 0 BHAERN CC(C)c1ccccc1N[C@H]1C[C@@H](C)O[C@H]1C ZINC000384784728 367731770 /nfs/dbraw/zinc/73/17/70/367731770.db2.gz QKRDOTBSTOBSGI-XUJVJEKNSA-N 0 0 233.355 3.788 10 0 BHAERN C/C=C/C(=O)c1ccc(SCC)cc1 ZINC000385482048 358420201 /nfs/dbraw/zinc/42/02/01/358420201.db2.gz BPMYULIJJGPHRC-HWKANZROSA-N 0 0 206.310 3.557 10 0 BHAERN C/C=C\C(=O)c1ccc(SCC)cc1 ZINC000385482050 344959799 /nfs/dbraw/zinc/95/97/99/344959799.db2.gz BPMYULIJJGPHRC-HYXAFXHYSA-N 0 0 206.310 3.557 10 0 BHAERN Nc1cccc(-c2ccc(OC3CCC3)cc2)c1 ZINC000385896183 487812761 /nfs/dbraw/zinc/81/27/61/487812761.db2.gz NWVQJZRXXSYAJG-UHFFFAOYSA-N 0 0 239.318 3.867 10 0 BHAERN O[C@@H]1CCCC[C@H]1Nc1cccc2ccsc21 ZINC000386195179 367926882 /nfs/dbraw/zinc/92/68/82/367926882.db2.gz QPLBDEHJEGQTHV-DGCLKSJQSA-N 0 0 247.363 3.617 10 0 BHAERN Cc1cscc1NCc1cc(C)c(O)c(C)c1 ZINC000387155818 585037254 /nfs/dbraw/zinc/03/72/54/585037254.db2.gz APHBZFCJUAONPF-UHFFFAOYSA-N 0 0 247.363 3.991 10 0 BHAERN CC[C@H]1CC[C@H](C2CCC(O)CC2)CC1 ZINC000389505290 352499241 /nfs/dbraw/zinc/49/92/41/352499241.db2.gz AVGOGVDPWQSBIM-HXZBBRIXSA-N 0 0 210.361 3.754 10 0 BHAERN CCC(CC)n1ccc2c1cccc2N ZINC000389521901 582881306 /nfs/dbraw/zinc/88/13/06/582881306.db2.gz GBLQXJXJPJRXMX-UHFFFAOYSA-N 0 0 202.301 3.585 10 0 BHAERN CCC[C@H](C)n1ccc2c1cccc2N ZINC000389704125 582881240 /nfs/dbraw/zinc/88/12/40/582881240.db2.gz WFBQEAUUNZEJRX-JTQLQIEISA-N 0 0 202.301 3.585 10 0 BHAERN CCC[C@@H](C)n1ccc2c1cccc2N ZINC000389704135 582881163 /nfs/dbraw/zinc/88/11/63/582881163.db2.gz WFBQEAUUNZEJRX-SNVBAGLBSA-N 0 0 202.301 3.585 10 0 BHAERN Fc1cccc2ccc(OC(F)(F)F)cc12 ZINC000390076632 345224653 /nfs/dbraw/zinc/22/46/53/345224653.db2.gz VJWVDTRHSCGYDB-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN COc1cccc2cc(C(F)(F)F)ccc21 ZINC000390105795 345237310 /nfs/dbraw/zinc/23/73/10/345237310.db2.gz SNUBEQPSQKZTRR-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN O=[N+]([O-])c1c(C(F)F)cccc1C(F)(F)F ZINC000390192894 345279338 /nfs/dbraw/zinc/27/93/38/345279338.db2.gz ODNAPVKVDNQNJG-UHFFFAOYSA-N 0 0 241.115 3.551 10 0 BHAERN COc1cc(C(F)(F)F)cc2ccccc21 ZINC000390228448 345296608 /nfs/dbraw/zinc/29/66/08/345296608.db2.gz DPHLTJFURFLYMP-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN Fc1cccc2c(OC(F)(F)F)cccc12 ZINC000390241108 345310428 /nfs/dbraw/zinc/31/04/28/345310428.db2.gz NYVUOBXHGFZBPJ-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN COc1ccc(OC(F)(F)F)c(C(F)F)c1 ZINC000390259640 345319923 /nfs/dbraw/zinc/31/99/23/345319923.db2.gz YOUBNALHSYTRKU-UHFFFAOYSA-N 0 0 242.143 3.531 10 0 BHAERN COc1cc(OC(F)(F)F)ccc1C(F)F ZINC000390401757 353149983 /nfs/dbraw/zinc/14/99/83/353149983.db2.gz APMOKTUEWYRIQC-UHFFFAOYSA-N 0 0 242.143 3.531 10 0 BHAERN COc1c2ccccc2ccc1C(F)(F)F ZINC000390433987 345973638 /nfs/dbraw/zinc/97/36/38/345973638.db2.gz HFHBCHCRCZNCPM-UHFFFAOYSA-N 0 0 226.197 3.867 10 0 BHAERN COc1ccc(Cl)c(C(=O)C2CCCC2)c1 ZINC000390481943 346064976 /nfs/dbraw/zinc/06/49/76/346064976.db2.gz LTLKOASRAUGBIC-UHFFFAOYSA-N 0 0 238.714 3.722 10 0 BHAERN C[C@@H]1CC(C)(C)c2c1c(N)ccc2C1CC1 ZINC000390500035 356825534 /nfs/dbraw/zinc/82/55/34/356825534.db2.gz SVZJFTUQCPFTHN-SECBINFHSA-N 0 0 215.340 3.931 10 0 BHAERN C[C@H]1CC(C)(C)c2c1c(N)ccc2C1CC1 ZINC000390500036 356825580 /nfs/dbraw/zinc/82/55/80/356825580.db2.gz SVZJFTUQCPFTHN-VIFPVBQESA-N 0 0 215.340 3.931 10 0 BHAERN Cc1cccc(N[C@@H]2CCC[C@H]2CCF)c1 ZINC000390525525 259392242 /nfs/dbraw/zinc/39/22/42/259392242.db2.gz GQXDPGGZZHUHCI-GXTWGEPZSA-N 0 0 221.319 3.935 10 0 BHAERN Cc1cccc(N[C@H]2CCC[C@H]2CCF)c1 ZINC000390525527 259392395 /nfs/dbraw/zinc/39/23/95/259392395.db2.gz GQXDPGGZZHUHCI-JSGCOSHPSA-N 0 0 221.319 3.935 10 0 BHAERN Cc1cccc(N[C@H]2CCC[C@@H]2CCF)c1 ZINC000390525864 259392476 /nfs/dbraw/zinc/39/24/76/259392476.db2.gz GQXDPGGZZHUHCI-OCCSQVGLSA-N 0 0 221.319 3.935 10 0 BHAERN Cc1cccc(N[C@@H]2CCC[C@@H]2CCF)c1 ZINC000390525865 259392245 /nfs/dbraw/zinc/39/22/45/259392245.db2.gz GQXDPGGZZHUHCI-TZMCWYRMSA-N 0 0 221.319 3.935 10 0 BHAERN C[C@@H]1C[C@@H]1Nc1ccc2c(Cl)cccc2n1 ZINC000390547558 259392967 /nfs/dbraw/zinc/39/29/67/259392967.db2.gz NIWCXHLCOVJFHM-PELKAZGASA-N 0 0 232.714 3.709 10 0 BHAERN C[C@H]1C[C@H]1Nc1ccc2c(Cl)cccc2n1 ZINC000390547559 259393376 /nfs/dbraw/zinc/39/33/76/259393376.db2.gz NIWCXHLCOVJFHM-QPUJVOFHSA-N 0 0 232.714 3.709 10 0 BHAERN C[C@H]1C[C@@H]1Nc1ccc2c(Cl)cccc2n1 ZINC000390547560 259393065 /nfs/dbraw/zinc/39/30/65/259393065.db2.gz NIWCXHLCOVJFHM-UFBFGSQYSA-N 0 0 232.714 3.709 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(OC)ccc1Cl ZINC000390578380 371217213 /nfs/dbraw/zinc/21/72/13/371217213.db2.gz OXNQQAULKLCJOR-SECBINFHSA-N 0 0 240.730 3.968 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(OC)ccc1Cl ZINC000390578386 371216576 /nfs/dbraw/zinc/21/65/76/371216576.db2.gz OXNQQAULKLCJOR-VIFPVBQESA-N 0 0 240.730 3.968 10 0 BHAERN Nc1cc(Cl)ccc1CNc1ccccc1 ZINC000390584262 371217131 /nfs/dbraw/zinc/21/71/31/371217131.db2.gz QGFQEGDJFVATQB-UHFFFAOYSA-N 0 0 232.714 3.534 10 0 BHAERN CC(C)c1ccccc1C(=O)CC(F)(F)F ZINC000390609979 347402022 /nfs/dbraw/zinc/40/20/22/347402022.db2.gz ZHIOQHDFXWNKMS-UHFFFAOYSA-N 0 0 230.229 3.945 10 0 BHAERN C[C@@H]1C[C@@H]1Nc1ccnc2c(Cl)cccc12 ZINC000390636182 259396479 /nfs/dbraw/zinc/39/64/79/259396479.db2.gz LXMJYTNBSBDNNI-PELKAZGASA-N 0 0 232.714 3.709 10 0 BHAERN C[C@H]1C[C@H]1Nc1ccnc2c(Cl)cccc12 ZINC000390636183 259396401 /nfs/dbraw/zinc/39/64/01/259396401.db2.gz LXMJYTNBSBDNNI-QPUJVOFHSA-N 0 0 232.714 3.709 10 0 BHAERN C[C@H]1C[C@@H]1Nc1ccnc2c(Cl)cccc12 ZINC000390636184 259396458 /nfs/dbraw/zinc/39/64/58/259396458.db2.gz LXMJYTNBSBDNNI-UFBFGSQYSA-N 0 0 232.714 3.709 10 0 BHAERN CCCC(=O)c1cccc(C(F)(F)F)c1C ZINC000390638499 346230975 /nfs/dbraw/zinc/23/09/75/346230975.db2.gz KDWIHZZVMWTOSA-UHFFFAOYSA-N 0 0 230.229 3.997 10 0 BHAERN CSc1cccc2c1-c1ccc(N)cc1C2 ZINC000390656489 347417580 /nfs/dbraw/zinc/41/75/80/347417580.db2.gz OXUGNTUOJPDDPT-UHFFFAOYSA-N 0 0 227.332 3.562 10 0 BHAERN O=C(c1ccc(C(F)(F)F)cc1Cl)C1CC1 ZINC000390670825 346297518 /nfs/dbraw/zinc/29/75/18/346297518.db2.gz SUQDJZJNYOMAKV-UHFFFAOYSA-N 0 0 248.631 3.952 10 0 BHAERN CC[C@@H](Nc1cccc(OC)c1)C(C)(C)C ZINC000390759444 385477234 /nfs/dbraw/zinc/47/72/34/385477234.db2.gz LFTIFDCXRMEKCE-CYBMUJFWSA-N 0 0 221.344 3.932 10 0 BHAERN CC[C@H](Nc1cccc(OC)c1)C(C)(C)C ZINC000390759445 385477435 /nfs/dbraw/zinc/47/74/35/385477435.db2.gz LFTIFDCXRMEKCE-ZDUSSCGKSA-N 0 0 221.344 3.932 10 0 BHAERN C[C@H](c1ccc(Br)cc1)C(F)F ZINC000390822102 177031970 /nfs/dbraw/zinc/03/19/70/177031970.db2.gz DLPLVQQHJFPQDA-ZCFIWIBFSA-N 0 0 235.071 3.818 10 0 BHAERN C[C@@H](c1cccc(Br)c1)C(F)F ZINC000390822199 176016414 /nfs/dbraw/zinc/01/64/14/176016414.db2.gz RTHVNXABEVQJDS-LURJTMIESA-N 0 0 235.071 3.818 10 0 BHAERN C[C@H](c1cccc(Br)c1)C(F)F ZINC000390822200 177035754 /nfs/dbraw/zinc/03/57/54/177035754.db2.gz RTHVNXABEVQJDS-ZCFIWIBFSA-N 0 0 235.071 3.818 10 0 BHAERN Cc1c[nH]c(C23CC4CC(CC(C4)C2)C3)c1 ZINC000390823084 526001863 /nfs/dbraw/zinc/00/18/63/526001863.db2.gz SAAUJPCIJVBKHD-UHFFFAOYSA-N 0 0 215.340 3.791 10 0 BHAERN CC(=O)/C(C)=C\c1cc(Br)cs1 ZINC000393356188 351929530 /nfs/dbraw/zinc/92/95/30/351929530.db2.gz UBJGNCQSHYENCE-UTCJRWHESA-N 0 0 245.141 3.503 10 0 BHAERN C/C=C\C(=O)c1cccc(Cl)c1Cl ZINC000393569541 352426089 /nfs/dbraw/zinc/42/60/89/352426089.db2.gz TWICMXUKSJLLLF-RQOWECAXSA-N 0 0 215.079 3.752 10 0 BHAERN CCCC[C@H](CC)CCNCC(F)(F)F ZINC000393607598 582818558 /nfs/dbraw/zinc/81/85/58/582818558.db2.gz IXAFXODKRHAACV-JTQLQIEISA-N 0 0 225.298 3.745 10 0 BHAERN CCCC[C@@H](CC)CCNCC(F)(F)F ZINC000393607601 582818880 /nfs/dbraw/zinc/81/88/80/582818880.db2.gz IXAFXODKRHAACV-SNVBAGLBSA-N 0 0 225.298 3.745 10 0 BHAERN C/C(=C\Cl)COc1cc(C)ccc1F ZINC000393659335 352838239 /nfs/dbraw/zinc/83/82/39/352838239.db2.gz RDJNZFDNVLCMMD-RMKNXTFCSA-N 0 0 214.667 3.656 10 0 BHAERN C/C(=C\Cl)CSc1cc(F)ccc1N ZINC000393666059 352984067 /nfs/dbraw/zinc/98/40/67/352984067.db2.gz JSLPAYUJSMCPNX-FNORWQNLSA-N 0 0 231.723 3.643 10 0 BHAERN CSc1ccc(NC/C=C\Cl)cc1F ZINC000393683069 353020379 /nfs/dbraw/zinc/02/03/79/353020379.db2.gz MSLCXMKQQDZYAC-DJWKRKHSSA-N 0 0 231.723 3.712 10 0 BHAERN C=CCS[C@H](CC)C(=O)c1ccccc1 ZINC000393731657 353090329 /nfs/dbraw/zinc/09/03/29/353090329.db2.gz BQMIMVZUTJUKNI-GFCCVEGCSA-N 0 0 220.337 3.567 10 0 BHAERN C=CCS[C@@H](CC)C(=O)c1ccccc1 ZINC000393731658 353090297 /nfs/dbraw/zinc/09/02/97/353090297.db2.gz BQMIMVZUTJUKNI-LBPRGKRZSA-N 0 0 220.337 3.567 10 0 BHAERN FCC[C@@H]1CCC[C@@H]1Nc1cccc(F)c1 ZINC000393740016 388440027 /nfs/dbraw/zinc/44/00/27/388440027.db2.gz DJKQNFWJHZPTGW-GWCFXTLKSA-N 0 0 225.282 3.766 10 0 BHAERN FCC[C@@H]1CCC[C@H]1Nc1cccc(F)c1 ZINC000393740018 259710473 /nfs/dbraw/zinc/71/04/73/259710473.db2.gz DJKQNFWJHZPTGW-GXFFZTMASA-N 0 0 225.282 3.766 10 0 BHAERN FCC[C@H]1CCC[C@@H]1Nc1cccc(F)c1 ZINC000393740022 388440409 /nfs/dbraw/zinc/44/04/09/388440409.db2.gz DJKQNFWJHZPTGW-MFKMUULPSA-N 0 0 225.282 3.766 10 0 BHAERN FCC[C@H]1CCC[C@H]1Nc1cccc(F)c1 ZINC000393740024 388440160 /nfs/dbraw/zinc/44/01/60/388440160.db2.gz DJKQNFWJHZPTGW-ZWNOBZJWSA-N 0 0 225.282 3.766 10 0 BHAERN C/C=C\C(=O)c1ccc(C)c2ccccc12 ZINC000393770202 343926802 /nfs/dbraw/zinc/92/68/02/343926802.db2.gz FKSXBAMWCRDFAI-UTCJRWHESA-N 0 0 210.276 3.907 10 0 BHAERN C/C=C/C(=O)c1ccc(C)c2ccccc12 ZINC000393770205 357669865 /nfs/dbraw/zinc/66/98/65/357669865.db2.gz FKSXBAMWCRDFAI-ZZXKWVIFSA-N 0 0 210.276 3.907 10 0 BHAERN Fc1ccc2ccccc2c1OC(F)(F)F ZINC000393792472 363537718 /nfs/dbraw/zinc/53/77/18/363537718.db2.gz DNCZIPBFEPFZPS-UHFFFAOYSA-N 0 0 230.160 3.878 10 0 BHAERN CC(C)/C(=C\c1sccc1Cl)[N+](=O)[O-] ZINC000394076526 356310108 /nfs/dbraw/zinc/31/01/08/356310108.db2.gz BTWGNWIQQRZZAF-VMPITWQZSA-N 0 0 231.704 3.675 10 0 BHAERN O=C(c1cc(F)c(Cl)c(F)c1)C1CCC1 ZINC000394503065 342803275 /nfs/dbraw/zinc/80/32/75/342803275.db2.gz ADVADAHYTUKXKT-UHFFFAOYSA-N 0 0 230.641 3.601 10 0 BHAERN CC[C@H](C)C(=O)c1cc(F)c(Cl)c(F)c1 ZINC000394606493 342809076 /nfs/dbraw/zinc/80/90/76/342809076.db2.gz HTIVNTYNBUWQBT-LURJTMIESA-N 0 0 232.657 3.847 10 0 BHAERN CC[C@@H](C)C(=O)c1cc(F)c(Cl)c(F)c1 ZINC000394606514 347374471 /nfs/dbraw/zinc/37/44/71/347374471.db2.gz HTIVNTYNBUWQBT-ZCFIWIBFSA-N 0 0 232.657 3.847 10 0 BHAERN CCc1cc(C(=O)CCSC)ccc1Cl ZINC000394693699 349283701 /nfs/dbraw/zinc/28/37/01/349283701.db2.gz QNYCMJXXYUROAE-UHFFFAOYSA-N 0 0 242.771 3.838 10 0 BHAERN C=Cc1ccc(C(=O)[C@H](C)CCC)cc1 ZINC000394763838 342827171 /nfs/dbraw/zinc/82/71/71/342827171.db2.gz YOTVNVSDJINPTM-LLVKDONJSA-N 0 0 202.297 3.949 10 0 BHAERN C=Cc1ccc(C(=O)[C@@H](C)CCC)cc1 ZINC000394763839 342827259 /nfs/dbraw/zinc/82/72/59/342827259.db2.gz YOTVNVSDJINPTM-NSHDSACASA-N 0 0 202.297 3.949 10 0 BHAERN FC(F)(F)CCc1ccc2ccccc2n1 ZINC000394780920 342834870 /nfs/dbraw/zinc/83/48/70/342834870.db2.gz LNEULXXTPSFFMO-UHFFFAOYSA-N 0 0 225.213 3.730 10 0 BHAERN Cc1c(F)cccc1C(=O)CC(C)(C)C ZINC000394802543 342838344 /nfs/dbraw/zinc/83/83/44/342838344.db2.gz UXFZIWAFCOTFBM-UHFFFAOYSA-N 0 0 208.276 3.753 10 0 BHAERN Cc1cc(F)ccc1-c1cccc(C=O)c1F ZINC000394943284 583027122 /nfs/dbraw/zinc/02/71/22/583027122.db2.gz ZWNGNWPLWAFUIS-UHFFFAOYSA-N 0 0 232.229 3.753 10 0 BHAERN CCOc1ccc(-c2cccc(C=O)c2F)cc1 ZINC000395059647 583036858 /nfs/dbraw/zinc/03/68/58/583036858.db2.gz SBDPDBHFPCSGJV-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN Cc1cc(F)ccc1-c1cccc(F)c1C=O ZINC000395154851 583046074 /nfs/dbraw/zinc/04/60/74/583046074.db2.gz NWVKGSKNJXACQD-UHFFFAOYSA-N 0 0 232.229 3.753 10 0 BHAERN CCC(CC)c1noc(-c2ccc(C)cc2O)n1 ZINC000395254393 386801138 /nfs/dbraw/zinc/80/11/38/386801138.db2.gz GJYTWVRAWRZAQB-UHFFFAOYSA-N 0 0 246.310 3.654 10 0 BHAERN CC(C)(C)[C@H](O)CNc1cccc2ccsc21 ZINC000395281743 357431475 /nfs/dbraw/zinc/43/14/75/357431475.db2.gz AJSDZTPWPCSIEK-GFCCVEGCSA-N 0 0 249.379 3.720 10 0 BHAERN CC(C)(C)[C@@H](O)CNc1cccc2ccsc21 ZINC000395282208 357431502 /nfs/dbraw/zinc/43/15/02/357431502.db2.gz AJSDZTPWPCSIEK-LBPRGKRZSA-N 0 0 249.379 3.720 10 0 BHAERN COCCC[C@@H](C)Nc1cccc2c1CCCC2 ZINC000395451208 357441405 /nfs/dbraw/zinc/44/14/05/357441405.db2.gz XLUFVZQIXKESRM-CYBMUJFWSA-N 0 0 247.382 3.792 10 0 BHAERN COCCC[C@H](C)Nc1cccc2c1CCCC2 ZINC000395451209 357441711 /nfs/dbraw/zinc/44/17/11/357441711.db2.gz XLUFVZQIXKESRM-ZDUSSCGKSA-N 0 0 247.382 3.792 10 0 BHAERN CSc1ccc(C(F)(F)F)c(CC(C)=O)c1 ZINC000396022799 344584880 /nfs/dbraw/zinc/58/48/80/344584880.db2.gz NHXGFESUHLVZEQ-UHFFFAOYSA-N 0 0 248.269 3.559 10 0 BHAERN CCc1ncc(C(F)(F)F)cc1C(F)(F)F ZINC000396076014 344595686 /nfs/dbraw/zinc/59/56/86/344595686.db2.gz BECFXPRGOBPZOD-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1cc(C(F)(F)F)ncc1C(F)(F)F ZINC000396081393 344597766 /nfs/dbraw/zinc/59/77/66/344597766.db2.gz CGGAHNVFCZIHHV-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1ccnc(C(F)(F)F)c1C(F)(F)F ZINC000396082654 344597909 /nfs/dbraw/zinc/59/79/09/344597909.db2.gz FZNUFXQLXKPOBE-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1c(C(F)(F)F)cncc1C(F)(F)F ZINC000396083007 344597780 /nfs/dbraw/zinc/59/77/80/344597780.db2.gz GIFVRLAXEYDOGZ-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1c(C(F)(F)F)ccnc1C(F)(F)F ZINC000396083334 344597738 /nfs/dbraw/zinc/59/77/38/344597738.db2.gz HGEVVFWHPWBMIV-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1cc(C(F)(F)F)cnc1C(F)(F)F ZINC000396083769 344597878 /nfs/dbraw/zinc/59/78/78/344597878.db2.gz IQSJRJMSBOVPTP-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1nc(C(F)(F)F)ccc1C(F)(F)F ZINC000396084521 344597763 /nfs/dbraw/zinc/59/77/63/344597763.db2.gz KFIPUVOIBJBWQD-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1cc(C(F)(F)F)c(C(F)(F)F)cn1 ZINC000396085835 344597569 /nfs/dbraw/zinc/59/75/69/344597569.db2.gz NORMLFODDADGME-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1cc(C(F)(F)F)cc(C(F)(F)F)n1 ZINC000396086327 344597650 /nfs/dbraw/zinc/59/76/50/344597650.db2.gz OHNGHJDMMOZEHB-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1ccc(C(F)(F)F)c(C(F)(F)F)n1 ZINC000396086970 344598417 /nfs/dbraw/zinc/59/84/17/344598417.db2.gz PUKJXSNWTPZUMA-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1ccc(C(F)(F)F)nc1C(F)(F)F ZINC000396087542 344598157 /nfs/dbraw/zinc/59/81/57/344598157.db2.gz QVTAFDYBYCPANM-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1cncc(C(F)(F)F)c1C(F)(F)F ZINC000396087856 344598235 /nfs/dbraw/zinc/59/82/35/344598235.db2.gz RPQIZGNJLUXQGV-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1nccc(C(F)(F)F)c1C(F)(F)F ZINC000396088270 344598397 /nfs/dbraw/zinc/59/83/97/344598397.db2.gz SHDOACXMDSKAHO-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1cnc(C(F)(F)F)c(C(F)(F)F)c1 ZINC000396090099 344599480 /nfs/dbraw/zinc/59/94/80/344599480.db2.gz WSEJZOATHLKORB-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN CCc1cnc(C(F)(F)F)cc1C(F)(F)F ZINC000396091346 344599483 /nfs/dbraw/zinc/59/94/83/344599483.db2.gz ZVOVWCUDHLEXAL-UHFFFAOYSA-N 0 0 243.150 3.682 10 0 BHAERN Fc1ccc(C(F)F)c(F)c1OC(F)F ZINC000396108135 344604016 /nfs/dbraw/zinc/60/40/16/344604016.db2.gz BJTIJUOCGBMDLR-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN Fc1c(F)c(C(F)F)ccc1OC(F)F ZINC000396108139 344604124 /nfs/dbraw/zinc/60/41/24/344604124.db2.gz BJZHPUOAIFBIBG-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN Fc1cc(OC(F)F)cc(C(F)F)c1F ZINC000396111855 344605424 /nfs/dbraw/zinc/60/54/24/344605424.db2.gz KMODNUVOTSFQJW-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN Fc1ccc(F)c(C(F)F)c1OC(F)F ZINC000396112849 344605987 /nfs/dbraw/zinc/60/59/87/344605987.db2.gz CGXCOBLOVJIRPZ-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN Fc1cc(F)c(C(F)F)c(OC(F)F)c1 ZINC000396113636 356453674 /nfs/dbraw/zinc/45/36/74/356453674.db2.gz DNNDKJVWXOACHL-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN COc1cc(SC(F)(F)F)c(C)cc1C ZINC000396114240 344605786 /nfs/dbraw/zinc/60/57/86/344605786.db2.gz FKHDEYSTIZQAPQ-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN COc1c(C)cc(C)cc1SC(F)(F)F ZINC000396115034 344606549 /nfs/dbraw/zinc/60/65/49/344606549.db2.gz HHDLAABDBQWYOK-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN COc1c(C)c(C)ccc1SC(F)(F)F ZINC000396115051 344606364 /nfs/dbraw/zinc/60/63/64/344606364.db2.gz HKSAAVZNBCDPLT-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN Fc1cc(F)c(C(F)F)cc1OC(F)F ZINC000396115217 344606444 /nfs/dbraw/zinc/60/64/44/344606444.db2.gz QVMJKTUCYACMHN-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN Fc1ccc(OC(F)F)c(C(F)F)c1F ZINC000396115220 344606531 /nfs/dbraw/zinc/60/65/31/344606531.db2.gz QWLLQEWHAWDSJX-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN COc1cc(C)c(SC(F)(F)F)c(C)c1 ZINC000396115503 344606465 /nfs/dbraw/zinc/60/64/65/344606465.db2.gz HTBLBMWLEXGQOQ-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN Fc1cc(OC(F)F)c(C(F)F)cc1F ZINC000396116448 344607062 /nfs/dbraw/zinc/60/70/62/344607062.db2.gz JGLHCVKQRYRGLN-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN COc1ccc(SC(F)(F)F)c(C)c1C ZINC000396116653 344606892 /nfs/dbraw/zinc/60/68/92/344606892.db2.gz JKPMXMLXJBTKIF-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN COc1cc(SC(F)(F)F)cc(C)c1C ZINC000396118617 344607886 /nfs/dbraw/zinc/60/78/86/344607886.db2.gz MYTLTQIFNBIHJX-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN COc1cc(C)cc(SC(F)(F)F)c1C ZINC000396118646 344607981 /nfs/dbraw/zinc/60/79/81/344607981.db2.gz NCPBEPSRBOAQEJ-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN Fc1cc(C(F)F)c(F)cc1OC(F)F ZINC000396118737 344608005 /nfs/dbraw/zinc/60/80/05/344608005.db2.gz NPNOMWFBVJNWRB-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN Fc1cc(OC(F)F)cc(F)c1C(F)F ZINC000396118940 344607872 /nfs/dbraw/zinc/60/78/72/344607872.db2.gz NSXYQKSBHYPMPW-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN Fc1cc(C(F)F)cc(OC(F)F)c1F ZINC000396119467 344607961 /nfs/dbraw/zinc/60/79/61/344607961.db2.gz OZXYUPZKGRLZDO-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN COc1c(C)ccc(C)c1SC(F)(F)F ZINC000396119987 344608511 /nfs/dbraw/zinc/60/85/11/344608511.db2.gz QUFLJWPSRMEHNB-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN COc1ccc(C)c(SC(F)(F)F)c1C ZINC000396121110 357264447 /nfs/dbraw/zinc/26/44/47/357264447.db2.gz UBXVXNGEKTWETD-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN COc1cc(C)cc(C)c1SC(F)(F)F ZINC000396121469 344608461 /nfs/dbraw/zinc/60/84/61/344608461.db2.gz UTQFEKAKFDDGEN-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN COc1cc(C)c(C)c(SC(F)(F)F)c1 ZINC000396121551 344608470 /nfs/dbraw/zinc/60/84/70/344608470.db2.gz VLCRNMFUGDYNHZ-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN Fc1cc(F)c(OC(F)F)c(C(F)F)c1 ZINC000396122020 344609001 /nfs/dbraw/zinc/60/90/01/344609001.db2.gz VRLNLCLDSHDMQU-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN COc1c(C)cc(SC(F)(F)F)cc1C ZINC000396122056 344608943 /nfs/dbraw/zinc/60/89/43/344608943.db2.gz WDRAELPMBWQBAM-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN Fc1ccc(OC(F)F)c(F)c1C(F)F ZINC000396122095 356454314 /nfs/dbraw/zinc/45/43/14/356454314.db2.gz WQHTVIXPNICWCY-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN Fc1cc(C(F)F)cc(F)c1OC(F)F ZINC000396122655 344609049 /nfs/dbraw/zinc/60/90/49/344609049.db2.gz XKASIDYJEPFEIG-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN Fc1cc(OC(F)F)c(F)c(C(F)F)c1 ZINC000396122659 344608960 /nfs/dbraw/zinc/60/89/60/344608960.db2.gz XKSNXPCLVDMGTM-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN Fc1ccc(OC(F)(F)F)cc1C(F)F ZINC000396123208 356455808 /nfs/dbraw/zinc/45/58/08/356455808.db2.gz CLWSQHWOQBTLKP-UHFFFAOYSA-N 0 0 230.107 3.662 10 0 BHAERN Fc1ccc(C(F)F)c(OC(F)F)c1F ZINC000396123251 356455293 /nfs/dbraw/zinc/45/52/93/356455293.db2.gz YQFRITXTNUFDLG-UHFFFAOYSA-N 0 0 230.107 3.504 10 0 BHAERN COc1c(C)ccc(SC(F)(F)F)c1C ZINC000396123285 344608918 /nfs/dbraw/zinc/60/89/18/344608918.db2.gz YWUZMIXMWPMYTM-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN COc1ccc(C)c(C)c1SC(F)(F)F ZINC000396123522 344609533 /nfs/dbraw/zinc/60/95/33/344609533.db2.gz ZRZILYCYVYOKJZ-UHFFFAOYSA-N 0 0 236.258 3.924 10 0 BHAERN FC(F)(F)c1nccc(Cl)c1C(F)(F)F ZINC000396124128 344609456 /nfs/dbraw/zinc/60/94/56/344609456.db2.gz AUOSEWUTTAIVQV-UHFFFAOYSA-N 0 0 249.541 3.773 10 0 BHAERN FC(F)(F)c1ccnc(C(F)(F)F)c1Cl ZINC000396124947 344609337 /nfs/dbraw/zinc/60/93/37/344609337.db2.gz FMOBTUCAVNBKRX-UHFFFAOYSA-N 0 0 249.541 3.773 10 0 BHAERN Fc1cccc(OC(F)(F)F)c1C(F)F ZINC000396125016 344609527 /nfs/dbraw/zinc/60/95/27/344609527.db2.gz JJBKKSBFLSOMHP-UHFFFAOYSA-N 0 0 230.107 3.662 10 0 BHAERN Fc1cccc(C(F)F)c1OC(F)(F)F ZINC000396125023 344609548 /nfs/dbraw/zinc/60/95/48/344609548.db2.gz JKUOSWRNJWWURF-UHFFFAOYSA-N 0 0 230.107 3.662 10 0 BHAERN Fc1cc(C(F)F)ccc1OC(F)(F)F ZINC000396125322 344609859 /nfs/dbraw/zinc/60/98/59/344609859.db2.gz KGVAPCPDVNFZCA-UHFFFAOYSA-N 0 0 230.107 3.662 10 0 BHAERN Fc1ccc(OC(F)(F)F)c(C(F)F)c1 ZINC000396125772 344609830 /nfs/dbraw/zinc/60/98/30/344609830.db2.gz LALQIBWYGKJQNU-UHFFFAOYSA-N 0 0 230.107 3.662 10 0 BHAERN Fc1cc(OC(F)(F)F)ccc1C(F)F ZINC000396126546 344609753 /nfs/dbraw/zinc/60/97/53/344609753.db2.gz NKDDIHXQWAXWKL-UHFFFAOYSA-N 0 0 230.107 3.662 10 0 BHAERN FC(F)(F)c1cc(Cl)cnc1C(F)(F)F ZINC000396126626 344609759 /nfs/dbraw/zinc/60/97/59/344609759.db2.gz MSNRYXHLDCYSDM-UHFFFAOYSA-N 0 0 249.541 3.773 10 0 BHAERN FC(F)(F)c1cncc(Cl)c1C(F)(F)F ZINC000396127200 344610262 /nfs/dbraw/zinc/61/02/62/344610262.db2.gz PENMYBJMTQXITL-UHFFFAOYSA-N 0 0 249.541 3.773 10 0 BHAERN Fc1ccc(C(F)F)c(OC(F)(F)F)c1 ZINC000396127479 344610258 /nfs/dbraw/zinc/61/02/58/344610258.db2.gz PLDMOTVULFXNCJ-UHFFFAOYSA-N 0 0 230.107 3.662 10 0 BHAERN FC(F)(F)c1cc(Cl)c(C(F)(F)F)cn1 ZINC000396128005 344610314 /nfs/dbraw/zinc/61/03/14/344610314.db2.gz SPNXAHXKLHKPPB-UHFFFAOYSA-N 0 0 249.541 3.773 10 0 BHAERN Fc1ccc(C(F)F)cc1OC(F)(F)F ZINC000396129360 344611741 /nfs/dbraw/zinc/61/17/41/344611741.db2.gz UUBKSKGYUODMPD-UHFFFAOYSA-N 0 0 230.107 3.662 10 0 BHAERN Fc1c(OC(F)(F)F)cccc1C(F)F ZINC000396130392 344612174 /nfs/dbraw/zinc/61/21/74/344612174.db2.gz XVNOIKFNJOZQGM-UHFFFAOYSA-N 0 0 230.107 3.662 10 0 BHAERN Fc1cc(OC(F)(F)F)cc(C(F)F)c1 ZINC000396130707 344612273 /nfs/dbraw/zinc/61/22/73/344612273.db2.gz ZELRZHWUQTUBRM-UHFFFAOYSA-N 0 0 230.107 3.662 10 0 BHAERN Cc1cc(Cl)cc([N+](=O)[O-])c1C(F)(F)F ZINC000396150338 344623351 /nfs/dbraw/zinc/62/33/51/344623351.db2.gz AYFMOJIUCCCLOX-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN Nc1c(Cl)c(C(F)(F)F)ccc1C(F)F ZINC000396151784 344624252 /nfs/dbraw/zinc/62/42/52/344624252.db2.gz AQRNSGVZSVAWCE-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1cc(Cl)cc(C(F)(F)F)c1C(F)F ZINC000396151843 344624149 /nfs/dbraw/zinc/62/41/49/344624149.db2.gz BBJITDLCXIOAEZ-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1cc(Cl)c(C(F)F)cc1C(F)(F)F ZINC000396152588 344625195 /nfs/dbraw/zinc/62/51/95/344625195.db2.gz BFBNEJBDBJIWKB-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1cc(C(F)F)c(C(F)(F)F)cc1Cl ZINC000396152594 344625139 /nfs/dbraw/zinc/62/51/39/344625139.db2.gz BFGKPKLATRWYOG-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN FC(F)Oc1cc(Cl)cc(C(F)(F)F)c1 ZINC000396153336 344625686 /nfs/dbraw/zinc/62/56/86/344625686.db2.gz DXWCYFSSGSBVMW-UHFFFAOYSA-N 0 0 246.562 3.960 10 0 BHAERN Cc1cc(Cl)cc(C(F)(F)F)c1[N+](=O)[O-] ZINC000396153448 344625741 /nfs/dbraw/zinc/62/57/41/344625741.db2.gz FFCHQDLWZVSRNZ-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN CC(=O)c1c(Cl)cc(F)cc1C(F)(F)F ZINC000396153482 344625715 /nfs/dbraw/zinc/62/57/15/344625715.db2.gz CJHNHSXEBFAWMM-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN CC(=O)c1ccc(F)c(Cl)c1C(F)(F)F ZINC000396153535 344625594 /nfs/dbraw/zinc/62/55/94/344625594.db2.gz CTGAMLRKXDCOFJ-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN FC(F)Oc1c(Cl)cccc1C(F)(F)F ZINC000396154418 344626465 /nfs/dbraw/zinc/62/64/65/344626465.db2.gz GACAFDYYBKSDMV-UHFFFAOYSA-N 0 0 246.562 3.960 10 0 BHAERN Nc1c(C(F)F)ccc(Cl)c1C(F)(F)F ZINC000396155069 344626797 /nfs/dbraw/zinc/62/67/97/344626797.db2.gz FTFLSVINCCCUFO-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1c(Cl)cc(C(F)F)cc1C(F)(F)F ZINC000396155088 344626854 /nfs/dbraw/zinc/62/68/54/344626854.db2.gz FYFLWVRJIFXJNN-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Cc1ccc(Cl)c([N+](=O)[O-])c1C(F)(F)F ZINC000396155401 344626836 /nfs/dbraw/zinc/62/68/36/344626836.db2.gz GXDDYNVSUXHIMF-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN Nc1cc(C(F)F)cc(Cl)c1C(F)(F)F ZINC000396155802 344627261 /nfs/dbraw/zinc/62/72/61/344627261.db2.gz GNAQFHUGSOUQAM-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1ccc(C(F)(F)F)c(Cl)c1C(F)F ZINC000396155810 344627266 /nfs/dbraw/zinc/62/72/66/344627266.db2.gz GNPFLXMEBLCGMD-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1cc(C(F)(F)F)cc(Cl)c1C(F)F ZINC000396155876 344627349 /nfs/dbraw/zinc/62/73/49/344627349.db2.gz GUZBTQWFTMTSJP-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1cc(Cl)cc(C(F)(F)F)c1F ZINC000396155890 356462471 /nfs/dbraw/zinc/46/24/71/356462471.db2.gz GXOCQYZKHDFTES-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1ccc(C(F)F)c(Cl)c1C(F)(F)F ZINC000396156011 344627557 /nfs/dbraw/zinc/62/75/57/344627557.db2.gz HJQSOBMJIPBRNF-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN FC(F)Oc1ccc(Cl)cc1C(F)(F)F ZINC000396156536 344627990 /nfs/dbraw/zinc/62/79/90/344627990.db2.gz SHQRFNJFKOPEFR-UHFFFAOYSA-N 0 0 246.562 3.960 10 0 BHAERN Nc1cc(C(F)(F)F)cc(C(F)F)c1Cl ZINC000396156690 344628034 /nfs/dbraw/zinc/62/80/34/344628034.db2.gz IEYLLHVXZQJREV-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1c(C(F)(F)F)ccc(Cl)c1C(F)F ZINC000396156701 344628120 /nfs/dbraw/zinc/62/81/20/344628120.db2.gz IGBNFTKDFYWICT-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1cc(C(F)F)cc(C(F)(F)F)c1Cl ZINC000396156713 344627998 /nfs/dbraw/zinc/62/79/98/344627998.db2.gz IHCHSHKGFZMVJV-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1cc(F)c(Cl)c(C(F)(F)F)c1 ZINC000396156722 344628043 /nfs/dbraw/zinc/62/80/43/344628043.db2.gz IJIXSFTWANOINL-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN FC(F)Oc1ccc(C(F)(F)F)c(Cl)c1 ZINC000396156965 344628082 /nfs/dbraw/zinc/62/80/82/344628082.db2.gz JFTJBPZYMKWMPZ-UHFFFAOYSA-N 0 0 246.562 3.960 10 0 BHAERN CC(=O)c1cc(F)cc(Cl)c1C(F)(F)F ZINC000396157492 344628861 /nfs/dbraw/zinc/62/88/61/344628861.db2.gz ITQZDRGSOKQBCA-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1c(Cl)c(C(F)F)ccc1C(F)(F)F ZINC000396158400 344632028 /nfs/dbraw/zinc/63/20/28/344632028.db2.gz JYRMTMHWJNWQKZ-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1ccc(Cl)c(C(F)(F)F)c1F ZINC000396158408 344631831 /nfs/dbraw/zinc/63/18/31/344631831.db2.gz JZMPZWKEIQHFDI-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN CC(=O)c1c(F)ccc(Cl)c1C(F)(F)F ZINC000396158486 344631822 /nfs/dbraw/zinc/63/18/22/344631822.db2.gz KGZGDRMXDSHAQL-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN CC(=O)c1c(F)cc(Cl)cc1C(F)(F)F ZINC000396159007 344632519 /nfs/dbraw/zinc/63/25/19/344632519.db2.gz LCVHQMGDCAFTBH-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN CC(=O)c1ccc(Cl)c(F)c1C(F)(F)F ZINC000396159068 344632490 /nfs/dbraw/zinc/63/24/90/344632490.db2.gz LWDHHVHJGGKTAF-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1c(C(F)F)cc(Cl)cc1C(F)(F)F ZINC000396159071 344632533 /nfs/dbraw/zinc/63/25/33/344632533.db2.gz LXELLSRHWGGXLT-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1ccc(C(F)(F)F)c(F)c1Cl ZINC000396159963 344632903 /nfs/dbraw/zinc/63/29/03/344632903.db2.gz NEBMASDRMSAXPM-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1Cl ZINC000396160574 356463221 /nfs/dbraw/zinc/46/32/21/356463221.db2.gz NHPCGDLVNFQUNG-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN CC(=O)c1cc(F)c(Cl)cc1C(F)(F)F ZINC000396160694 344633310 /nfs/dbraw/zinc/63/33/10/344633310.db2.gz NNQYMNUWMJFIND-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1cc(C(F)(F)F)c(Cl)cc1C(F)F ZINC000396160718 344633268 /nfs/dbraw/zinc/63/32/68/344633268.db2.gz NUOIDBIDLANHCS-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1cc(Cl)c(C(F)(F)F)c(C(F)F)c1 ZINC000396160734 344633308 /nfs/dbraw/zinc/63/33/08/344633308.db2.gz NZZSQEHDJROQGR-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1cc(C(F)(F)F)c(Cl)cc1F ZINC000396162487 344634753 /nfs/dbraw/zinc/63/47/53/344634753.db2.gz PWDAQQBPMPNJDF-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN CC(=O)c1c(Cl)ccc(F)c1C(F)(F)F ZINC000396162489 344634697 /nfs/dbraw/zinc/63/46/97/344634697.db2.gz OWKGGZIUKZVROQ-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1cc(Cl)cc(C(F)F)c1C(F)(F)F ZINC000396162512 344634532 /nfs/dbraw/zinc/63/45/32/344634532.db2.gz PXVFUFRGNRVKDB-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1c(Cl)c(F)ccc1C(F)(F)F ZINC000396162540 344634719 /nfs/dbraw/zinc/63/47/19/344634719.db2.gz QAIREDFRVIHNKR-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN CC(=O)c1c(Cl)ccc(C(F)(F)F)c1F ZINC000396162550 344634618 /nfs/dbraw/zinc/63/46/18/344634618.db2.gz PBLZSBSXSJEKLN-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1c(Cl)cc(C(F)(F)F)cc1C(F)F ZINC000396162637 344634715 /nfs/dbraw/zinc/63/47/15/344634715.db2.gz QJTVJGTVNFUZIN-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1c(Cl)ccc(C(F)F)c1C(F)(F)F ZINC000396162695 344634731 /nfs/dbraw/zinc/63/47/31/344634731.db2.gz QRSCHGUUNUWPRZ-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1cc(F)c(C(F)(F)F)c(Cl)c1 ZINC000396163138 344634711 /nfs/dbraw/zinc/63/47/11/344634711.db2.gz QXIKSDDPRUYUJJ-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN CC(=O)c1c(F)c(Cl)ccc1C(F)(F)F ZINC000396163262 344635101 /nfs/dbraw/zinc/63/51/01/344635101.db2.gz RPHIVANRUURNJH-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1ccc(Cl)c(C(F)F)c1C(F)(F)F ZINC000396163298 344635165 /nfs/dbraw/zinc/63/51/65/344635165.db2.gz RTGDULDNOGGAJC-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1ccc(C(F)(F)F)c(Cl)c1F ZINC000396163797 344634979 /nfs/dbraw/zinc/63/49/79/344634979.db2.gz RYQGSFCGEUDYHB-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1cc(C(F)F)c(Cl)c(C(F)(F)F)c1 ZINC000396163847 344635002 /nfs/dbraw/zinc/63/50/02/344635002.db2.gz SFXOITWIRSCJAA-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1ccc(C(F)(F)F)c(C(F)F)c1Cl ZINC000396163879 344635076 /nfs/dbraw/zinc/63/50/76/344635076.db2.gz SLOQRHWRBYLBQX-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1c(F)cc(C(F)(F)F)cc1Cl ZINC000396163905 344635567 /nfs/dbraw/zinc/63/55/67/344635567.db2.gz SSUUPVPLWVPOIX-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1ccc(Cl)c(C(F)(F)F)c1C(F)F ZINC000396164459 344635456 /nfs/dbraw/zinc/63/54/56/344635456.db2.gz TZKUUZZXJFIDKQ-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Cc1cc(C(F)(F)F)cc(Cl)c1[N+](=O)[O-] ZINC000396164940 344635379 /nfs/dbraw/zinc/63/53/79/344635379.db2.gz RUBBNSXJMAGWGB-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN Cc1c(Cl)ccc([N+](=O)[O-])c1C(F)(F)F ZINC000396165191 356465057 /nfs/dbraw/zinc/46/50/57/356465057.db2.gz SOETVGDUFGKREB-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN Nc1ccc(C(F)F)c(C(F)(F)F)c1Cl ZINC000396165411 344635986 /nfs/dbraw/zinc/63/59/86/344635986.db2.gz UZVHRLRVVCVJMK-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1cc(Cl)c(F)cc1C(F)(F)F ZINC000396166068 344636029 /nfs/dbraw/zinc/63/60/29/344636029.db2.gz UAVQZKGZYWEPNI-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1c(Cl)ccc(C(F)(F)F)c1C(F)F ZINC000396166349 344636404 /nfs/dbraw/zinc/63/64/04/344636404.db2.gz WEOOHCJCRAIPGY-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1ccc(F)c(C(F)(F)F)c1Cl ZINC000396166448 344636425 /nfs/dbraw/zinc/63/64/25/344636425.db2.gz WSHTVJSNUOITLG-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN CC(=O)c1cc(C(F)(F)F)cc(F)c1Cl ZINC000396166484 356464570 /nfs/dbraw/zinc/46/45/70/356464570.db2.gz WVCXDKVIBJYKBN-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1cc(C(F)(F)F)c(C(F)F)cc1Cl ZINC000396166558 344636431 /nfs/dbraw/zinc/63/64/31/344636431.db2.gz WZLVDRUWTDKEOJ-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Nc1cc(C(F)F)c(Cl)cc1C(F)(F)F ZINC000396167018 359810078 /nfs/dbraw/zinc/81/00/78/359810078.db2.gz XFWZQLSPMYRJPD-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN FC(F)Oc1cccc(Cl)c1C(F)(F)F ZINC000396167053 344636340 /nfs/dbraw/zinc/63/63/40/344636340.db2.gz VQKWBTXAXCVYOQ-UHFFFAOYSA-N 0 0 246.562 3.960 10 0 BHAERN Nc1cc(Cl)c(C(F)F)c(C(F)(F)F)c1 ZINC000396167093 344636478 /nfs/dbraw/zinc/63/64/78/344636478.db2.gz XITWISQZIAQIHE-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1Cl ZINC000396167115 344636326 /nfs/dbraw/zinc/63/63/26/344636326.db2.gz VVBZNYVKYKXCIC-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN CC(=O)c1cc(F)c(C(F)(F)F)cc1Cl ZINC000396167125 344636454 /nfs/dbraw/zinc/63/64/54/344636454.db2.gz XJXSKHLDXRVSSK-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Cc1cc(Cl)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000396167131 344636879 /nfs/dbraw/zinc/63/68/79/344636879.db2.gz VWNJCSZOBPINAF-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN CC(=O)c1cc(Cl)c(C(F)(F)F)cc1F ZINC000396167187 344636939 /nfs/dbraw/zinc/63/69/39/344636939.db2.gz XMYNRPAXEPRQOD-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN CC(=O)c1c(F)ccc(C(F)(F)F)c1Cl ZINC000396167270 344636903 /nfs/dbraw/zinc/63/69/03/344636903.db2.gz XYCJASLZPGLGDD-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Nc1cc(Cl)c(C(F)(F)F)cc1C(F)F ZINC000396167738 344636881 /nfs/dbraw/zinc/63/68/81/344636881.db2.gz YFAMLGMQFAWTHB-UHFFFAOYSA-N 0 0 245.578 3.879 10 0 BHAERN CC(=O)c1cc(F)cc(C(F)(F)F)c1Cl ZINC000396167743 344636699 /nfs/dbraw/zinc/63/66/99/344636699.db2.gz YFMWNVNIAZAOQG-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN CC(=O)c1cc(C(F)(F)F)c(F)cc1Cl ZINC000396167759 352550522 /nfs/dbraw/zinc/55/05/22/352550522.db2.gz YGZGPBQGKQRLGH-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN FC(F)Oc1cc(Cl)ccc1C(F)(F)F ZINC000396167896 356466026 /nfs/dbraw/zinc/46/60/26/356466026.db2.gz WHKIBXBNJLZSLR-UHFFFAOYSA-N 0 0 246.562 3.960 10 0 BHAERN Cc1c(Cl)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000396168673 344630534 /nfs/dbraw/zinc/63/05/34/344630534.db2.gz XTBUXSIHPYSJCO-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN Cc1c(Cl)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000396168689 344630391 /nfs/dbraw/zinc/63/03/91/344630391.db2.gz XXOJZOXMVPIWPH-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN CC(=O)c1cc(Cl)cc(F)c1C(F)(F)F ZINC000396169290 344630536 /nfs/dbraw/zinc/63/05/36/344630536.db2.gz YNPBGAAZVSASIN-UHFFFAOYSA-N 0 0 240.583 3.701 10 0 BHAERN Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1Cl ZINC000396170000 344630832 /nfs/dbraw/zinc/63/08/32/344630832.db2.gz ZVQNJLYJWAXCDI-UHFFFAOYSA-N 0 0 239.580 3.575 10 0 BHAERN CC(C)c1ccccc1N[C@H]1COC(C)(C)C1 ZINC000396848910 387502966 /nfs/dbraw/zinc/50/29/66/387502966.db2.gz JKLLRAPJIIHJOD-GFCCVEGCSA-N 0 0 233.355 3.789 10 0 BHAERN CC(C)c1ccccc1N[C@@H]1COC(C)(C)C1 ZINC000396848911 387502882 /nfs/dbraw/zinc/50/28/82/387502882.db2.gz JKLLRAPJIIHJOD-LBPRGKRZSA-N 0 0 233.355 3.789 10 0 BHAERN C[Si](C)(C)CNc1ccccc1Cl ZINC000401552748 360435187 /nfs/dbraw/zinc/43/51/87/360435187.db2.gz QXDQPPPOZHVSLL-UHFFFAOYSA-N 0 0 213.784 3.629 10 0 BHAERN C[Si](C)(C)CNc1cccc(Cl)c1 ZINC000401558835 342837829 /nfs/dbraw/zinc/83/78/29/342837829.db2.gz VRMFNWVCKQBENN-UHFFFAOYSA-N 0 0 213.784 3.629 10 0 BHAERN C[Si](C)(C)CNc1ccsc1Cl ZINC000401979454 344118812 /nfs/dbraw/zinc/11/88/12/344118812.db2.gz LKKJUMOAKZMLDA-UHFFFAOYSA-N 0 0 219.813 3.691 10 0 BHAERN Cc1ccc(NCC=C(Cl)Cl)cc1 ZINC000403333276 358629364 /nfs/dbraw/zinc/62/93/64/358629364.db2.gz RJMJJWMCQUPMGE-UHFFFAOYSA-N 0 0 216.111 3.726 10 0 BHAERN Nc1ccc2ccn(CC=C(Cl)Cl)c2c1 ZINC000403354004 537900360 /nfs/dbraw/zinc/90/03/60/537900360.db2.gz GEGUHCBQGMGKGC-UHFFFAOYSA-N 0 0 241.121 3.543 10 0 BHAERN Cc1cccc(NCC=C(Cl)Cl)c1 ZINC000403358758 363036487 /nfs/dbraw/zinc/03/64/87/363036487.db2.gz XLLJDCPUQDRJMF-UHFFFAOYSA-N 0 0 216.111 3.726 10 0 BHAERN Cc1ccccc1NCC=C(Cl)Cl ZINC000403371016 358891827 /nfs/dbraw/zinc/89/18/27/358891827.db2.gz ZXSGGWILMDPAJO-UHFFFAOYSA-N 0 0 216.111 3.726 10 0 BHAERN O=C1CCCCC[C@@H]1CC=C(Cl)Cl ZINC000403376813 358897269 /nfs/dbraw/zinc/89/72/69/358897269.db2.gz KLKHOTQSPFPECB-MRVPVSSYSA-N 0 0 221.127 3.845 10 0 BHAERN O=C1CCCCC[C@H]1CC=C(Cl)Cl ZINC000403376814 358896886 /nfs/dbraw/zinc/89/68/86/358896886.db2.gz KLKHOTQSPFPECB-QMMMGPOBSA-N 0 0 221.127 3.845 10 0 BHAERN Fc1cccc(NCC=C(Cl)Cl)c1 ZINC000403384025 358944255 /nfs/dbraw/zinc/94/42/55/358944255.db2.gz FZWQQHRSBKVXCX-UHFFFAOYSA-N 0 0 220.074 3.557 10 0 BHAERN Fc1ccc(NCC=C(Cl)Cl)cc1 ZINC000403390676 358960777 /nfs/dbraw/zinc/96/07/77/358960777.db2.gz HKHNIQFJSZWDGV-UHFFFAOYSA-N 0 0 220.074 3.557 10 0 BHAERN Nc1cccc2ccn(CC=C(Cl)Cl)c21 ZINC000403402028 537900247 /nfs/dbraw/zinc/90/02/47/537900247.db2.gz OVAFOYBTNCXUGL-UHFFFAOYSA-N 0 0 241.121 3.543 10 0 BHAERN C[C@@H]1CCC(=O)[C@H](CC=C(Cl)Cl)C1 ZINC000403414321 363039651 /nfs/dbraw/zinc/03/96/51/363039651.db2.gz QWQAAPDRTOMNBK-HTQZYQBOSA-N 0 0 221.127 3.701 10 0 BHAERN C[C@H]1CCC(=O)[C@H](CC=C(Cl)Cl)C1 ZINC000403414322 358982402 /nfs/dbraw/zinc/98/24/02/358982402.db2.gz QWQAAPDRTOMNBK-JGVFFNPUSA-N 0 0 221.127 3.701 10 0 BHAERN C[C@@H]1CCC(=O)[C@@H](CC=C(Cl)Cl)C1 ZINC000403414326 363039334 /nfs/dbraw/zinc/03/93/34/363039334.db2.gz QWQAAPDRTOMNBK-SFYZADRCSA-N 0 0 221.127 3.701 10 0 BHAERN C[C@H]1CCC(=O)[C@@H](CC=C(Cl)Cl)C1 ZINC000403414330 358982811 /nfs/dbraw/zinc/98/28/11/358982811.db2.gz QWQAAPDRTOMNBK-YUMQZZPRSA-N 0 0 221.127 3.701 10 0 BHAERN Nc1cccc2c1ccn2CC=C(Cl)Cl ZINC000403458469 538562258 /nfs/dbraw/zinc/56/22/58/538562258.db2.gz ZRRODSHLDQQRAP-UHFFFAOYSA-N 0 0 241.121 3.543 10 0 BHAERN Fc1ccccc1NCC=C(Cl)Cl ZINC000403478829 359316772 /nfs/dbraw/zinc/31/67/72/359316772.db2.gz RDDGPOKELMFDOX-UHFFFAOYSA-N 0 0 220.074 3.557 10 0 BHAERN Cc1cscc1NCC=C(Cl)Cl ZINC000403644128 359672291 /nfs/dbraw/zinc/67/22/91/359672291.db2.gz ICGTUHVVUVXVIO-UHFFFAOYSA-N 0 0 222.140 3.787 10 0 BHAERN Cc1cc([C@@H](O)c2ccccc2C(C)C)sn1 ZINC000404450086 369428948 /nfs/dbraw/zinc/42/89/48/369428948.db2.gz QSDSHTKJEHKTQN-AWEZNQCLSA-N 0 0 247.363 3.657 10 0 BHAERN Cc1cc([C@H](O)c2ccccc2C(C)C)sn1 ZINC000404450087 369429435 /nfs/dbraw/zinc/42/94/35/369429435.db2.gz QSDSHTKJEHKTQN-CQSZACIVSA-N 0 0 247.363 3.657 10 0 BHAERN Cc1ccsc1-c1ccc(C=O)s1 ZINC000404831854 352588201 /nfs/dbraw/zinc/58/82/01/352588201.db2.gz IIPGJJXXFAIBLA-UHFFFAOYSA-N 0 0 208.307 3.598 10 0 BHAERN O=Cc1ccc(-c2sccc2Cl)s1 ZINC000404839311 352589581 /nfs/dbraw/zinc/58/95/81/352589581.db2.gz JQFJKAKFIUYAEU-UHFFFAOYSA-N 0 0 228.725 3.943 10 0 BHAERN O=Cc1ccc(-c2ccsc2Cl)s1 ZINC000404854715 352595315 /nfs/dbraw/zinc/59/53/15/352595315.db2.gz PWCORPWSJIVEMF-UHFFFAOYSA-N 0 0 228.725 3.943 10 0 BHAERN Cc1sccc1-c1ccc(C=O)s1 ZINC000404872813 352609119 /nfs/dbraw/zinc/60/91/19/352609119.db2.gz YZBPLWWVKCJAPM-UHFFFAOYSA-N 0 0 208.307 3.598 10 0 BHAERN CC(=O)c1ccc(NC(=O)OC(C)(C)C)c(C)c1 ZINC000405614295 354274949 /nfs/dbraw/zinc/27/49/49/354274949.db2.gz VDOHQUZGJIZERL-UHFFFAOYSA-N 0 0 249.310 3.545 10 0 BHAERN CCC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000405727485 538960759 /nfs/dbraw/zinc/96/07/59/538960759.db2.gz QLHHQAYLRJRKMV-UHFFFAOYSA-N 0 0 249.310 3.626 10 0 BHAERN CC(=O)c1cc(C)ccc1NC(=O)OC(C)(C)C ZINC000405752927 355215316 /nfs/dbraw/zinc/21/53/16/355215316.db2.gz DDAUEJJLOHJQES-UHFFFAOYSA-N 0 0 249.310 3.545 10 0 BHAERN Cc1cc(C)c(/C=C/C(=O)OC(C)(C)C)cc1C ZINC000405908195 537907083 /nfs/dbraw/zinc/90/70/83/537907083.db2.gz DXGAGPWOBKECET-BQYQJAHWSA-N 0 0 246.350 3.967 10 0 BHAERN CC(C)(C)OC(=O)/C=C/c1ccc(C2CC2)cc1 ZINC000405917839 537906060 /nfs/dbraw/zinc/90/60/60/537906060.db2.gz DKCSXTNFOFRRPV-IZZDOVSWSA-N 0 0 244.334 3.919 10 0 BHAERN CCc1ccc(/C(C)=C/C(=O)OC(C)(C)C)cc1 ZINC000405918420 537906862 /nfs/dbraw/zinc/90/68/62/537906862.db2.gz FAPGMIPIWJZUJD-VAWYXSNFSA-N 0 0 246.350 3.994 10 0 BHAERN Cc1cc(C)c(/C=C/C(=O)OC(C)(C)C)c(C)c1 ZINC000405920085 537906933 /nfs/dbraw/zinc/90/69/33/537906933.db2.gz MSJQCMISFFUQOW-BQYQJAHWSA-N 0 0 246.350 3.967 10 0 BHAERN CC(=O)c1cccc(NC(=O)OC(C)(C)C)c1C ZINC000406077467 342838198 /nfs/dbraw/zinc/83/81/98/342838198.db2.gz UVTXXJLIABLAHP-UHFFFAOYSA-N 0 0 249.310 3.545 10 0 BHAERN Cc1nc2cc(N[C@H]3CCC[C@H]4C[C@H]43)ccc2o1 ZINC000408510005 323047172 /nfs/dbraw/zinc/04/71/72/323047172.db2.gz AJYRPJQUSHLAGZ-UHTWSYAYSA-N 0 0 242.322 3.737 10 0 BHAERN CC(=O)c1ccc(O[C@@H]2CC[C@@H](C)C2)c(F)c1 ZINC000418860647 192084962 /nfs/dbraw/zinc/08/49/62/192084962.db2.gz DGMVJXFXEAREGN-BXKDBHETSA-N 0 0 236.286 3.596 10 0 BHAERN CC(=O)c1ccc(O[C@H]2CC[C@H](C)C2)c(F)c1 ZINC000418860648 192085511 /nfs/dbraw/zinc/08/55/11/192085511.db2.gz DGMVJXFXEAREGN-CABZTGNLSA-N 0 0 236.286 3.596 10 0 BHAERN CC(=O)c1ccc(O[C@@H]2CC[C@H](C)C2)c(F)c1 ZINC000418860649 192085162 /nfs/dbraw/zinc/08/51/62/192085162.db2.gz DGMVJXFXEAREGN-JOYOIKCWSA-N 0 0 236.286 3.596 10 0 BHAERN CC(=O)c1ccc(O[C@H]2CC[C@@H](C)C2)c(F)c1 ZINC000418861041 192085247 /nfs/dbraw/zinc/08/52/47/192085247.db2.gz DGMVJXFXEAREGN-SKDRFNHKSA-N 0 0 236.286 3.596 10 0 BHAERN COCC(C)(C)CNc1ccccc1C(C)C ZINC000426417726 206049378 /nfs/dbraw/zinc/04/93/78/206049378.db2.gz TZQAQQBBWWLESF-UHFFFAOYSA-N 0 0 235.371 3.895 10 0 BHAERN CCN1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000433011186 388755022 /nfs/dbraw/zinc/75/50/22/388755022.db2.gz FDYCZQXYTHWBFE-JTQLQIEISA-N 0 0 229.245 3.563 10 0 BHAERN CCN1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000433011187 384922020 /nfs/dbraw/zinc/92/20/20/384922020.db2.gz FDYCZQXYTHWBFE-SNVBAGLBSA-N 0 0 229.245 3.563 10 0 BHAERN CC(C)N1CC[C@@H](C(F)(F)F)c2ccccc21 ZINC000433015180 388757008 /nfs/dbraw/zinc/75/70/08/388757008.db2.gz IULAFEMMNVFCSH-LLVKDONJSA-N 0 0 243.272 3.951 10 0 BHAERN CC(C)N1CC[C@H](C(F)(F)F)c2ccccc21 ZINC000433015181 388756922 /nfs/dbraw/zinc/75/69/22/388756922.db2.gz IULAFEMMNVFCSH-NSHDSACASA-N 0 0 243.272 3.951 10 0 BHAERN CC(C)c1nn(C)cc1N[C@@H]1CCC12CCCC2 ZINC000482063964 528402563 /nfs/dbraw/zinc/40/25/63/528402563.db2.gz HRKKHWWIIMMUOQ-CYBMUJFWSA-N 0 0 247.386 3.678 10 0 BHAERN CC(C)c1nn(C)cc1N[C@H]1CCC12CCCC2 ZINC000482063965 528402617 /nfs/dbraw/zinc/40/26/17/528402617.db2.gz HRKKHWWIIMMUOQ-ZDUSSCGKSA-N 0 0 247.386 3.678 10 0 BHAERN Clc1ccc(Cl)c2nc(Cl)ncc12 ZINC000498049344 226330239 /nfs/dbraw/zinc/33/02/39/226330239.db2.gz OSFONGKOKDAYAC-UHFFFAOYSA-N 0 0 233.485 3.590 10 0 BHAERN Clc1ccc2nc(Cl)ncc2c1Cl ZINC000498049506 226330074 /nfs/dbraw/zinc/33/00/74/226330074.db2.gz ZIVSWCQOTFGFRC-UHFFFAOYSA-N 0 0 233.485 3.590 10 0 BHAERN O=C1CCc2ccc(C(Cl)(Cl)Cl)cc21 ZINC000498050255 226330180 /nfs/dbraw/zinc/33/01/80/226330180.db2.gz SISGITNYWMPRQH-UHFFFAOYSA-N 0 0 249.524 3.642 10 0 BHAERN Cc1cccc2c(-c3ccnc(Cl)n3)c[nH]c21 ZINC000498051135 534777016 /nfs/dbraw/zinc/77/70/16/534777016.db2.gz VWBDMYMILZQSKP-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN CCO[C@H](C)Oc1ccc(F)c2ccccc12 ZINC000504664900 528005665 /nfs/dbraw/zinc/00/56/65/528005665.db2.gz HYLGOVIWMJLQOO-JTQLQIEISA-N 0 0 234.270 3.740 10 0 BHAERN CCO[C@@H](C)Oc1ccc(F)c2ccccc12 ZINC000504664909 529099502 /nfs/dbraw/zinc/09/95/02/529099502.db2.gz HYLGOVIWMJLQOO-SNVBAGLBSA-N 0 0 234.270 3.740 10 0 BHAERN O=c1ccc(-c2ccc3ccccc3c2)n[nH]1 ZINC000504772155 226351492 /nfs/dbraw/zinc/35/14/92/226351492.db2.gz WFVHLFVBGAXVAW-UHFFFAOYSA-N 0 0 222.247 3.563 10 0 BHAERN O=Cc1cc(Cl)ccc1Cc1ccccc1 ZINC000504797929 229241880 /nfs/dbraw/zinc/24/18/80/229241880.db2.gz UMRIIVRZMQPJBG-UHFFFAOYSA-N 0 0 230.694 3.743 10 0 BHAERN C[C@@H](Nc1cccc(-n2cccn2)c1)C(C)(C)C ZINC000505626325 226357821 /nfs/dbraw/zinc/35/78/21/226357821.db2.gz QRRGURWCXCNLJS-GFCCVEGCSA-N 0 0 243.354 3.719 10 0 BHAERN C[C@H](Nc1cccc(-n2cccn2)c1)C(C)(C)C ZINC000505626326 226357849 /nfs/dbraw/zinc/35/78/49/226357849.db2.gz QRRGURWCXCNLJS-LBPRGKRZSA-N 0 0 243.354 3.719 10 0 BHAERN COc1c(OC(F)(F)F)ccc2ccccc21 ZINC000514259274 344906657 /nfs/dbraw/zinc/90/66/57/344906657.db2.gz JZOHWJQZTLDOQY-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN Cc1cnc2c(N)c(F)c(Cl)cc2c1Cl ZINC000521400091 386441298 /nfs/dbraw/zinc/44/12/98/386441298.db2.gz ANACATCAGUXIHR-UHFFFAOYSA-N 0 0 245.084 3.571 10 0 BHAERN FC(F)(F)Oc1cccc(-c2ccoc2)c1 ZINC000521400393 487611071 /nfs/dbraw/zinc/61/10/71/487611071.db2.gz KLNZXOWAMWZZPC-UHFFFAOYSA-N 0 0 228.169 3.845 10 0 BHAERN CCCc1cccc(F)c1Br ZINC000521400465 386447624 /nfs/dbraw/zinc/44/76/24/386447624.db2.gz AGGOUTMEMRHCKB-UHFFFAOYSA-N 0 0 217.081 3.541 10 0 BHAERN Fc1cc(C(F)(F)F)c2c(n1)CCCCC2 ZINC000521400620 487611110 /nfs/dbraw/zinc/61/11/10/487611110.db2.gz NHCDSDIJBWXURK-UHFFFAOYSA-N 0 0 233.208 3.508 10 0 BHAERN Cc1cnc2c(N)c(C)c(Cl)cc2c1Cl ZINC000521401339 259455142 /nfs/dbraw/zinc/45/51/42/259455142.db2.gz XFIWPDFWSHEPDW-UHFFFAOYSA-N 0 0 241.121 3.741 10 0 BHAERN Clc1cc(Br)cc2cnccc12 ZINC000521402250 256517314 /nfs/dbraw/zinc/51/73/14/256517314.db2.gz YYXVRBZCRPPMDO-UHFFFAOYSA-N 0 0 242.503 3.651 10 0 BHAERN CC1(C)COc2cc(-c3cccc(N)c3)ccc21 ZINC000527586816 387635133 /nfs/dbraw/zinc/63/51/33/387635133.db2.gz HACVPNMIKNQACN-UHFFFAOYSA-N 0 0 239.318 3.606 10 0 BHAERN CC1(C)COc2cc(-c3ccc(N)cc3)ccc21 ZINC000527588112 387635703 /nfs/dbraw/zinc/63/57/03/387635703.db2.gz OGEPCHVOSGZTNR-UHFFFAOYSA-N 0 0 239.318 3.606 10 0 BHAERN COC(C)(C)c1ccc(-c2ccc(N)cc2)cc1 ZINC000530248046 324558683 /nfs/dbraw/zinc/55/86/83/324558683.db2.gz GOCYRDHUMXFVBM-UHFFFAOYSA-N 0 0 241.334 3.817 10 0 BHAERN COC(C)(C)c1ccc(-c2cccc(N)c2)cc1 ZINC000530248274 324558728 /nfs/dbraw/zinc/55/87/28/324558728.db2.gz LDMQMXJCAIDXQF-UHFFFAOYSA-N 0 0 241.334 3.817 10 0 BHAERN CCC(=O)c1cccc(-c2cnc(C3CC3)o2)c1 ZINC000530249925 324559437 /nfs/dbraw/zinc/55/94/37/324559437.db2.gz HNZBADWWTVXCMZ-UHFFFAOYSA-N 0 0 241.290 3.812 10 0 BHAERN CCC(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000530250404 324559253 /nfs/dbraw/zinc/55/92/53/324559253.db2.gz JFEWGFGLTCIRSG-UHFFFAOYSA-N 0 0 241.290 3.812 10 0 BHAERN C[C@H]1CC(c2ccc(N)cc2)C[C@H](C)C1 ZINC000536949392 387161105 /nfs/dbraw/zinc/16/11/05/387161105.db2.gz AEGHCXBLOAHWIS-GHMZBOCLSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@H]1C[C@H](c2ccc(N)cc2)C[C@@H](C)C1 ZINC000536949397 323950643 /nfs/dbraw/zinc/95/06/43/323950643.db2.gz AEGHCXBLOAHWIS-PJXYFTJBSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC(c2ccc(N)cc2)C[C@@H](C)C1 ZINC000536949398 387160944 /nfs/dbraw/zinc/16/09/44/387160944.db2.gz AEGHCXBLOAHWIS-QWRGUYRKSA-N 0 0 203.329 3.809 10 0 BHAERN Cc1cc(F)c(C2CCCCC2)cc1N ZINC000536949399 323950804 /nfs/dbraw/zinc/95/08/04/323950804.db2.gz AGSSXNTUECCYSM-UHFFFAOYSA-N 0 0 207.292 3.764 10 0 BHAERN Cc1ccc(N)c(C2CCC(C)CC2)c1 ZINC000536949403 323950537 /nfs/dbraw/zinc/95/05/37/323950537.db2.gz AHBGVFSYYVJDED-UHFFFAOYSA-N 0 0 203.329 3.871 10 0 BHAERN C[C@@H]1CCC[C@@H](C)C1c1ccccc1N ZINC000536949411 323950486 /nfs/dbraw/zinc/95/04/86/323950486.db2.gz AJRGUSPMIDSFPF-GHMZBOCLSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@H]1CCC[C@H](C)C1c1ccccc1N ZINC000536949414 387160934 /nfs/dbraw/zinc/16/09/34/387160934.db2.gz AJRGUSPMIDSFPF-QWRGUYRKSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CCC[C@H](C)[C@H]1c1ccccc1N ZINC000536949415 323950470 /nfs/dbraw/zinc/95/04/70/323950470.db2.gz AJRGUSPMIDSFPF-YABSGUDNSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](c2ccccc2N)[C@@H](C)C1 ZINC000536949416 323950570 /nfs/dbraw/zinc/95/05/70/323950570.db2.gz AYTVGTACKRAMPM-GRYCIOLGSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](c2ccccc2N)[C@H](C)C1 ZINC000536949420 387160696 /nfs/dbraw/zinc/16/06/96/387160696.db2.gz AYTVGTACKRAMPM-IJLUTSLNSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](c2ccccc2N)[C@H](C)C1 ZINC000536949421 323951553 /nfs/dbraw/zinc/95/15/53/323951553.db2.gz AYTVGTACKRAMPM-UTUOFQBUSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](c2ccccc2N)[C@@H](C)C1 ZINC000536949422 387160901 /nfs/dbraw/zinc/16/09/01/387160901.db2.gz AYTVGTACKRAMPM-WOPDTQHZSA-N 0 0 203.329 3.809 10 0 BHAERN CC1(C)CCCC[C@@H]1c1ccccc1N ZINC000536949427 387161099 /nfs/dbraw/zinc/16/10/99/387161099.db2.gz BABFLFRRCOOKML-GFCCVEGCSA-N 0 0 203.329 3.953 10 0 BHAERN CC1(C)CCCC[C@H]1c1ccccc1N ZINC000536949430 387161067 /nfs/dbraw/zinc/16/10/67/387161067.db2.gz BABFLFRRCOOKML-LBPRGKRZSA-N 0 0 203.329 3.953 10 0 BHAERN C[C@@H]1CC[C@H](c2cccc(N)c2)[C@H](C)C1 ZINC000536949458 387160848 /nfs/dbraw/zinc/16/08/48/387160848.db2.gz BIRLLOAIWNTFRP-GYSYKLTISA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](c2cccc(N)c2)[C@H](C)C1 ZINC000536949464 323951276 /nfs/dbraw/zinc/95/12/76/323951276.db2.gz BIRLLOAIWNTFRP-JTNHKYCSSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](c2cccc(N)c2)[C@@H](C)C1 ZINC000536949466 387160456 /nfs/dbraw/zinc/16/04/56/387160456.db2.gz BIRLLOAIWNTFRP-SUNKGSAMSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](c2cccc(N)c2)[C@@H](C)C1 ZINC000536949468 387160863 /nfs/dbraw/zinc/16/08/63/387160863.db2.gz BIRLLOAIWNTFRP-UHIISALHSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CCC[C@@H](c2ccc(F)cc2N)C1 ZINC000536949487 387161119 /nfs/dbraw/zinc/16/11/19/387161119.db2.gz BSJYBZWZDHSXNC-NXEZZACHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@H](c2ccc(F)cc2N)C1 ZINC000536949490 387160479 /nfs/dbraw/zinc/16/04/79/387160479.db2.gz BSJYBZWZDHSXNC-UWVGGRQHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@@H](c2ccc(F)cc2N)C1 ZINC000536949492 387160875 /nfs/dbraw/zinc/16/08/75/387160875.db2.gz BSJYBZWZDHSXNC-VHSXEESVSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCC[C@H](c2ccc(F)cc2N)C1 ZINC000536949494 323951208 /nfs/dbraw/zinc/95/12/08/323951208.db2.gz BSJYBZWZDHSXNC-ZJUUUORDSA-N 0 0 207.292 3.702 10 0 BHAERN Nc1cccc(C2CCC3(CC3)CC2)c1 ZINC000536949514 387160924 /nfs/dbraw/zinc/16/09/24/387160924.db2.gz CLZIOBCSWRMRGB-UHFFFAOYSA-N 0 0 201.313 3.707 10 0 BHAERN Cc1ccc(N)cc1C1CCC(C)CC1 ZINC000536949536 387160774 /nfs/dbraw/zinc/16/07/74/387160774.db2.gz CQJQMQGLFPHQGP-UHFFFAOYSA-N 0 0 203.329 3.871 10 0 BHAERN CC1CCC(c2cccc(N)c2F)CC1 ZINC000536949540 387161328 /nfs/dbraw/zinc/16/13/28/387161328.db2.gz CSZBZKBSFBYYGV-UHFFFAOYSA-N 0 0 207.292 3.702 10 0 BHAERN CC1CCC(c2ccc(F)c(N)c2)CC1 ZINC000536949544 387160690 /nfs/dbraw/zinc/16/06/90/387160690.db2.gz CUWGPGYXSRZDOB-UHFFFAOYSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CC[C@H](c2cccc(N)c2)C[C@@H]1C ZINC000536949568 387161194 /nfs/dbraw/zinc/16/11/94/387161194.db2.gz DKAVHSWGLXKBIH-MDZLAQPJSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](c2cccc(N)c2)C[C@H]1C ZINC000536949572 387161171 /nfs/dbraw/zinc/16/11/71/387161171.db2.gz DKAVHSWGLXKBIH-NQBHXWOUSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](c2cccc(N)c2)C[C@@H]1C ZINC000536949573 387160275 /nfs/dbraw/zinc/16/02/75/387160275.db2.gz DKAVHSWGLXKBIH-NTZNESFSSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](c2cccc(N)c2)C[C@H]1C ZINC000536949574 387160529 /nfs/dbraw/zinc/16/05/29/387160529.db2.gz DKAVHSWGLXKBIH-WZRBSPASSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CCCC[C@H]1c1cccc(F)c1N ZINC000536949575 323951564 /nfs/dbraw/zinc/95/15/64/323951564.db2.gz DMOPRCNBMDWYQX-NXEZZACHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCCC[C@@H]1c1cccc(F)c1N ZINC000536949578 387160589 /nfs/dbraw/zinc/16/05/89/387160589.db2.gz DMOPRCNBMDWYQX-UWVGGRQHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCCC[C@H]1c1cccc(F)c1N ZINC000536949580 387160406 /nfs/dbraw/zinc/16/04/06/387160406.db2.gz DMOPRCNBMDWYQX-VHSXEESVSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCCC[C@@H]1c1cccc(F)c1N ZINC000536949581 387161159 /nfs/dbraw/zinc/16/11/59/387161159.db2.gz DMOPRCNBMDWYQX-ZJUUUORDSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCC[C@@H](c2cccc(F)c2N)C1 ZINC000536949586 387160453 /nfs/dbraw/zinc/16/04/53/387160453.db2.gz DOBVHEPKTBAOKC-NXEZZACHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@H](c2cccc(F)c2N)C1 ZINC000536949587 387160622 /nfs/dbraw/zinc/16/06/22/387160622.db2.gz DOBVHEPKTBAOKC-UWVGGRQHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@@H](c2cccc(F)c2N)C1 ZINC000536949588 387160587 /nfs/dbraw/zinc/16/05/87/387160587.db2.gz DOBVHEPKTBAOKC-VHSXEESVSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCC[C@H](c2cccc(F)c2N)C1 ZINC000536949589 323951271 /nfs/dbraw/zinc/95/12/71/323951271.db2.gz DOBVHEPKTBAOKC-ZJUUUORDSA-N 0 0 207.292 3.702 10 0 BHAERN CC[C@@H]1CCC[C@H](c2cccc(N)c2)C1 ZINC000536949591 387161208 /nfs/dbraw/zinc/16/12/08/387161208.db2.gz DWRMTWXSZGIRLS-NEPJUHHUSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@H]1CCC[C@@H](c2cccc(N)c2)C1 ZINC000536949594 387160489 /nfs/dbraw/zinc/16/04/89/387160489.db2.gz DWRMTWXSZGIRLS-NWDGAFQWSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@H]1CCC[C@H](c2cccc(N)c2)C1 ZINC000536949595 323951122 /nfs/dbraw/zinc/95/11/22/323951122.db2.gz DWRMTWXSZGIRLS-RYUDHWBXSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@@H]1CCC[C@@H](c2cccc(N)c2)C1 ZINC000536949596 387160919 /nfs/dbraw/zinc/16/09/19/387160919.db2.gz DWRMTWXSZGIRLS-VXGBXAGGSA-N 0 0 203.329 3.953 10 0 BHAERN Cc1c(N)cccc1[C@@H]1CCC[C@H](C)C1 ZINC000536949597 387160769 /nfs/dbraw/zinc/16/07/69/387160769.db2.gz DYERKUNNRGGOBM-CMPLNLGQSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1c(N)cccc1[C@H]1CCC[C@H](C)C1 ZINC000536949602 323951151 /nfs/dbraw/zinc/95/11/51/323951151.db2.gz DYERKUNNRGGOBM-JQWIXIFHSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1c(N)cccc1[C@H]1CCC[C@@H](C)C1 ZINC000536949604 387160516 /nfs/dbraw/zinc/16/05/16/387160516.db2.gz DYERKUNNRGGOBM-PWSUYJOCSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1c(N)cccc1[C@@H]1CCC[C@@H](C)C1 ZINC000536949605 323951126 /nfs/dbraw/zinc/95/11/26/323951126.db2.gz DYERKUNNRGGOBM-ZYHUDNBSSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cc(N)c(F)cc1C1CCCCC1 ZINC000536949608 387160579 /nfs/dbraw/zinc/16/05/79/387160579.db2.gz FBTAAVOGHOGXJJ-UHFFFAOYSA-N 0 0 207.292 3.764 10 0 BHAERN C[C@@H]1CCC[C@@H](c2cc(F)ccc2N)C1 ZINC000536949614 323951154 /nfs/dbraw/zinc/95/11/54/323951154.db2.gz FCFZVCXMQMPEAQ-NXEZZACHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@H](c2cc(F)ccc2N)C1 ZINC000536949616 323951159 /nfs/dbraw/zinc/95/11/59/323951159.db2.gz FCFZVCXMQMPEAQ-UWVGGRQHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@@H](c2cc(F)ccc2N)C1 ZINC000536949620 323951608 /nfs/dbraw/zinc/95/16/08/323951608.db2.gz FCFZVCXMQMPEAQ-VHSXEESVSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCC[C@H](c2cc(F)ccc2N)C1 ZINC000536949623 323951113 /nfs/dbraw/zinc/95/11/13/323951113.db2.gz FCFZVCXMQMPEAQ-ZJUUUORDSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CC[C@H](C)[C@@H](c2ccccc2N)C1 ZINC000536949625 387160658 /nfs/dbraw/zinc/16/06/58/387160658.db2.gz FLOXWOWXEBFLMP-MDZLAQPJSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](C)[C@H](c2ccccc2N)C1 ZINC000536949627 323951381 /nfs/dbraw/zinc/95/13/81/323951381.db2.gz FLOXWOWXEBFLMP-NQBHXWOUSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](C)[C@H](c2ccccc2N)C1 ZINC000536949630 323951214 /nfs/dbraw/zinc/95/12/14/323951214.db2.gz FLOXWOWXEBFLMP-NTZNESFSSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](C)[C@@H](c2ccccc2N)C1 ZINC000536949632 387160562 /nfs/dbraw/zinc/16/05/62/387160562.db2.gz FLOXWOWXEBFLMP-WZRBSPASSA-N 0 0 203.329 3.809 10 0 BHAERN Cc1cccc(N)c1[C@@H]1CCC[C@H](C)C1 ZINC000536949634 323951281 /nfs/dbraw/zinc/95/12/81/323951281.db2.gz FTYWFLHLIGZQKT-CMPLNLGQSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cccc(N)c1[C@H]1CCC[C@H](C)C1 ZINC000536949636 323951522 /nfs/dbraw/zinc/95/15/22/323951522.db2.gz FTYWFLHLIGZQKT-JQWIXIFHSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cccc(N)c1[C@H]1CCC[C@@H](C)C1 ZINC000536949639 323951508 /nfs/dbraw/zinc/95/15/08/323951508.db2.gz FTYWFLHLIGZQKT-PWSUYJOCSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cccc(N)c1[C@@H]1CCC[C@@H](C)C1 ZINC000536949641 387160661 /nfs/dbraw/zinc/16/06/61/387160661.db2.gz FTYWFLHLIGZQKT-ZYHUDNBSSA-N 0 0 203.329 3.871 10 0 BHAERN CC1(C)CCC(c2cccc(N)c2)CC1 ZINC000536949702 387161313 /nfs/dbraw/zinc/16/13/13/387161313.db2.gz GNIMUNFVXAQTBA-UHFFFAOYSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@@H]1CCCC[C@H]1c1cccc(N)c1 ZINC000536949708 387161267 /nfs/dbraw/zinc/16/12/67/387161267.db2.gz GNNYUNRJKNSCLZ-BXUZGUMPSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@H]1CCCC[C@@H]1c1cccc(N)c1 ZINC000536949715 387161390 /nfs/dbraw/zinc/16/13/90/387161390.db2.gz GNNYUNRJKNSCLZ-FZMZJTMJSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@@H]1CCCC[C@@H]1c1cccc(N)c1 ZINC000536949716 387160452 /nfs/dbraw/zinc/16/04/52/387160452.db2.gz GNNYUNRJKNSCLZ-RISCZKNCSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@H]1CCCC[C@H]1c1cccc(N)c1 ZINC000536949717 323952081 /nfs/dbraw/zinc/95/20/81/323952081.db2.gz GNNYUNRJKNSCLZ-SMDDNHRTSA-N 0 0 203.329 3.953 10 0 BHAERN CC1(C)CCC[C@@H](c2ccc(N)cc2)C1 ZINC000536949741 323952119 /nfs/dbraw/zinc/95/21/19/323952119.db2.gz GRYIOMZTAWPYLQ-GFCCVEGCSA-N 0 0 203.329 3.953 10 0 BHAERN CC1(C)CCC[C@H](c2ccc(N)cc2)C1 ZINC000536949748 387161335 /nfs/dbraw/zinc/16/13/35/387161335.db2.gz GRYIOMZTAWPYLQ-LBPRGKRZSA-N 0 0 203.329 3.953 10 0 BHAERN Nc1ccccc1C1CCC2(CC2)CC1 ZINC000536949769 323952024 /nfs/dbraw/zinc/95/20/24/323952024.db2.gz HBJYDZWTELLGAL-UHFFFAOYSA-N 0 0 201.313 3.707 10 0 BHAERN CC[C@@H]1CCCC[C@H]1c1ccc(N)cc1 ZINC000536949785 323951965 /nfs/dbraw/zinc/95/19/65/323951965.db2.gz HGLBWSPNBZHYDV-BXUZGUMPSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@H]1CCCC[C@@H]1c1ccc(N)cc1 ZINC000536949788 387161260 /nfs/dbraw/zinc/16/12/60/387161260.db2.gz HGLBWSPNBZHYDV-FZMZJTMJSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@@H]1CCCC[C@@H]1c1ccc(N)cc1 ZINC000536949790 323952016 /nfs/dbraw/zinc/95/20/16/323952016.db2.gz HGLBWSPNBZHYDV-RISCZKNCSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@H]1CCCC[C@H]1c1ccc(N)cc1 ZINC000536949792 387161174 /nfs/dbraw/zinc/16/11/74/387161174.db2.gz HGLBWSPNBZHYDV-SMDDNHRTSA-N 0 0 203.329 3.953 10 0 BHAERN Cc1cccc(N)c1C1CCC(C)CC1 ZINC000536949802 323951977 /nfs/dbraw/zinc/95/19/77/323951977.db2.gz HLNKVNZJHRPJQR-UHFFFAOYSA-N 0 0 203.329 3.871 10 0 BHAERN C[C@@H]1CC[C@@H](c2ccccc2N)C[C@@H]1C ZINC000536949809 323952086 /nfs/dbraw/zinc/95/20/86/323952086.db2.gz HQCCDKIDYXRVQK-GRYCIOLGSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](c2ccccc2N)C[C@H]1C ZINC000536949811 387160634 /nfs/dbraw/zinc/16/06/34/387160634.db2.gz HQCCDKIDYXRVQK-IJLUTSLNSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](c2ccccc2N)C[C@H]1C ZINC000536949977 387161233 /nfs/dbraw/zinc/16/12/33/387161233.db2.gz HQCCDKIDYXRVQK-UTUOFQBUSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](c2ccccc2N)C[C@@H]1C ZINC000536949978 323951935 /nfs/dbraw/zinc/95/19/35/323951935.db2.gz HQCCDKIDYXRVQK-WOPDTQHZSA-N 0 0 203.329 3.809 10 0 BHAERN C[S@@](=O)(=Nc1cccc(F)c1)c1ccccc1 ZINC000536949987 387161381 /nfs/dbraw/zinc/16/13/81/387161381.db2.gz DKDZJVSMBNJXLU-KRWDZBQOSA-N 0 0 249.310 3.614 10 0 BHAERN C[S@](=O)(=Nc1cccc(F)c1)c1ccccc1 ZINC000536949989 387160953 /nfs/dbraw/zinc/16/09/53/387160953.db2.gz DKDZJVSMBNJXLU-QGZVFWFLSA-N 0 0 249.310 3.614 10 0 BHAERN CC[C@@H]1CCCC[C@@H]1c1ccccc1N ZINC000536949992 387161113 /nfs/dbraw/zinc/16/11/13/387161113.db2.gz HWGBSAZEWYDSNM-NEPJUHHUSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@H]1CCCC[C@H]1c1ccccc1N ZINC000536949993 387161002 /nfs/dbraw/zinc/16/10/02/387161002.db2.gz HWGBSAZEWYDSNM-NWDGAFQWSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@H]1CCCC[C@@H]1c1ccccc1N ZINC000536949994 323951993 /nfs/dbraw/zinc/95/19/93/323951993.db2.gz HWGBSAZEWYDSNM-RYUDHWBXSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@@H]1CCCC[C@H]1c1ccccc1N ZINC000536949995 387160583 /nfs/dbraw/zinc/16/05/83/387160583.db2.gz HWGBSAZEWYDSNM-VXGBXAGGSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@@H]1CCC[C@H](c2ccccc2N)C1 ZINC000536949996 387160572 /nfs/dbraw/zinc/16/05/72/387160572.db2.gz IBAXOSAGQBSVQK-NEPJUHHUSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@H]1CCC[C@@H](c2ccccc2N)C1 ZINC000536949997 387161342 /nfs/dbraw/zinc/16/13/42/387161342.db2.gz IBAXOSAGQBSVQK-NWDGAFQWSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@H]1CCC[C@H](c2ccccc2N)C1 ZINC000536949998 323952796 /nfs/dbraw/zinc/95/27/96/323952796.db2.gz IBAXOSAGQBSVQK-RYUDHWBXSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@@H]1CCC[C@@H](c2ccccc2N)C1 ZINC000536949999 323952794 /nfs/dbraw/zinc/95/27/94/323952794.db2.gz IBAXOSAGQBSVQK-VXGBXAGGSA-N 0 0 203.329 3.953 10 0 BHAERN CC1CCC(c2cccc(F)c2N)CC1 ZINC000536950007 387160547 /nfs/dbraw/zinc/16/05/47/387160547.db2.gz IDIZIKGWKGMLER-UHFFFAOYSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCC[C@@H](C)C1c1cccc(N)c1 ZINC000536950011 323952926 /nfs/dbraw/zinc/95/29/26/323952926.db2.gz IFMWZMOWFKIVSU-GHMZBOCLSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@H]1CCC[C@H](C)C1c1cccc(N)c1 ZINC000536950012 323952805 /nfs/dbraw/zinc/95/28/05/323952805.db2.gz IFMWZMOWFKIVSU-QWRGUYRKSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CCC[C@H](C)[C@H]1c1cccc(N)c1 ZINC000536950013 323952764 /nfs/dbraw/zinc/95/27/64/323952764.db2.gz IFMWZMOWFKIVSU-YABSGUDNSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@H]1CCCC[C@H]1c1ccc(F)cc1N ZINC000536950030 387160558 /nfs/dbraw/zinc/16/05/58/387160558.db2.gz IOVAHQCSYVPHHR-GXSJLCMTSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCCC[C@@H]1c1ccc(F)cc1N ZINC000536950031 323952894 /nfs/dbraw/zinc/95/28/94/323952894.db2.gz IOVAHQCSYVPHHR-KOLCDFICSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCCC[C@H]1c1ccc(F)cc1N ZINC000536950032 323952768 /nfs/dbraw/zinc/95/27/68/323952768.db2.gz IOVAHQCSYVPHHR-MWLCHTKSSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCCC[C@@H]1c1ccc(F)cc1N ZINC000536950033 323952781 /nfs/dbraw/zinc/95/27/81/323952781.db2.gz IOVAHQCSYVPHHR-ONGXEEELSA-N 0 0 207.292 3.702 10 0 BHAERN Cc1ccc(N)c([C@H]2CCCC[C@H]2C)c1 ZINC000536950034 323952874 /nfs/dbraw/zinc/95/28/74/323952874.db2.gz IRFLYMZHCMUSQK-NEPJUHHUSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)c([C@@H]2CCCC[C@@H]2C)c1 ZINC000536950036 387162691 /nfs/dbraw/zinc/16/26/91/387162691.db2.gz IRFLYMZHCMUSQK-NWDGAFQWSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)c([C@H]2CCCC[C@@H]2C)c1 ZINC000536950038 323952989 /nfs/dbraw/zinc/95/29/89/323952989.db2.gz IRFLYMZHCMUSQK-RYUDHWBXSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)c([C@@H]2CCCC[C@H]2C)c1 ZINC000536950040 323952887 /nfs/dbraw/zinc/95/28/87/323952887.db2.gz IRFLYMZHCMUSQK-VXGBXAGGSA-N 0 0 203.329 3.871 10 0 BHAERN CCC1CCC(c2cccc(N)c2)CC1 ZINC000536950041 323952891 /nfs/dbraw/zinc/95/28/91/323952891.db2.gz JEZCVZJORDXHJW-UHFFFAOYSA-N 0 0 203.329 3.953 10 0 BHAERN Cc1c(F)c(N)ccc1C1CCCCC1 ZINC000536950051 387162424 /nfs/dbraw/zinc/16/24/24/387162424.db2.gz JMEHKNOHCWOHBK-UHFFFAOYSA-N 0 0 207.292 3.764 10 0 BHAERN Nc1cc(C2CCCCC2)c(F)cc1F ZINC000536950053 323952772 /nfs/dbraw/zinc/95/27/72/323952772.db2.gz JMEKJKANSQCHJY-UHFFFAOYSA-N 0 0 211.255 3.595 10 0 BHAERN Cc1ccc([C@H]2CCCC[C@H]2C)c(N)c1 ZINC000536950056 323952811 /nfs/dbraw/zinc/95/28/11/323952811.db2.gz JPUYSGHLRLXLDQ-NEPJUHHUSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@@H]2CCCC[C@@H]2C)c(N)c1 ZINC000536950060 323952881 /nfs/dbraw/zinc/95/28/81/323952881.db2.gz JPUYSGHLRLXLDQ-NWDGAFQWSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@H]2CCCC[C@@H]2C)c(N)c1 ZINC000536950062 323952941 /nfs/dbraw/zinc/95/29/41/323952941.db2.gz JPUYSGHLRLXLDQ-RYUDHWBXSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@@H]2CCCC[C@H]2C)c(N)c1 ZINC000536950063 323952849 /nfs/dbraw/zinc/95/28/49/323952849.db2.gz JPUYSGHLRLXLDQ-VXGBXAGGSA-N 0 0 203.329 3.871 10 0 BHAERN Nc1cc(F)c(F)cc1C1CCCCC1 ZINC000536950075 387162429 /nfs/dbraw/zinc/16/24/29/387162429.db2.gz KEAUPWXHBLCAOY-UHFFFAOYSA-N 0 0 211.255 3.595 10 0 BHAERN Cc1ccc([C@@H]2CCC[C@H](C)C2)cc1N ZINC000536950077 323952800 /nfs/dbraw/zinc/95/28/00/323952800.db2.gz KIUHIXLVCRPLQB-CMPLNLGQSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@H]2CCC[C@H](C)C2)cc1N ZINC000536950078 387162553 /nfs/dbraw/zinc/16/25/53/387162553.db2.gz KIUHIXLVCRPLQB-JQWIXIFHSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@H]2CCC[C@@H](C)C2)cc1N ZINC000536950079 387162396 /nfs/dbraw/zinc/16/23/96/387162396.db2.gz KIUHIXLVCRPLQB-PWSUYJOCSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@@H]2CCC[C@@H](C)C2)cc1N ZINC000536950080 323952777 /nfs/dbraw/zinc/95/27/77/323952777.db2.gz KIUHIXLVCRPLQB-ZYHUDNBSSA-N 0 0 203.329 3.871 10 0 BHAERN C[C@H]1C[C@H](c2ccccc2N)C[C@@H](C)C1 ZINC000536950083 387162408 /nfs/dbraw/zinc/16/24/08/387162408.db2.gz KPAAORVKHZVFMM-GDNZZTSVSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@H]1CC(c2ccccc2N)C[C@H](C)C1 ZINC000536950084 323952870 /nfs/dbraw/zinc/95/28/70/323952870.db2.gz KPAAORVKHZVFMM-GHMZBOCLSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC(c2ccccc2N)C[C@@H](C)C1 ZINC000536950085 323952809 /nfs/dbraw/zinc/95/28/09/323952809.db2.gz KPAAORVKHZVFMM-QWRGUYRKSA-N 0 0 203.329 3.809 10 0 BHAERN Nc1c(F)cc(F)cc1C1CCCCC1 ZINC000536950086 323952798 /nfs/dbraw/zinc/95/27/98/323952798.db2.gz KSYGSKCWWQSXLY-UHFFFAOYSA-N 0 0 211.255 3.595 10 0 BHAERN Nc1cc(F)c(C2CCCCC2)cc1F ZINC000536950136 387162170 /nfs/dbraw/zinc/16/21/70/387162170.db2.gz MEIIXTBTVSNPMG-UHFFFAOYSA-N 0 0 211.255 3.595 10 0 BHAERN Cc1ccc([C@@H]2CCC[C@H](C)C2)c(N)c1 ZINC000536950138 387162721 /nfs/dbraw/zinc/16/27/21/387162721.db2.gz MIGSXXMORDNUPF-CMPLNLGQSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@H]2CCC[C@H](C)C2)c(N)c1 ZINC000536950139 387162066 /nfs/dbraw/zinc/16/20/66/387162066.db2.gz MIGSXXMORDNUPF-JQWIXIFHSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@H]2CCC[C@@H](C)C2)c(N)c1 ZINC000536950140 323952867 /nfs/dbraw/zinc/95/28/67/323952867.db2.gz MIGSXXMORDNUPF-PWSUYJOCSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc([C@@H]2CCC[C@@H](C)C2)c(N)c1 ZINC000536950141 323952877 /nfs/dbraw/zinc/95/28/77/323952877.db2.gz MIGSXXMORDNUPF-ZYHUDNBSSA-N 0 0 203.329 3.871 10 0 BHAERN Nc1ccc(F)c(C2CCCCC2)c1F ZINC000536950142 387162617 /nfs/dbraw/zinc/16/26/17/387162617.db2.gz MINYXQLHBLQKJJ-UHFFFAOYSA-N 0 0 211.255 3.595 10 0 BHAERN Nc1cc(F)c(C2CCCCC2)c(F)c1 ZINC000536950145 323952930 /nfs/dbraw/zinc/95/29/30/323952930.db2.gz MLFVCRUJIRJSHQ-UHFFFAOYSA-N 0 0 211.255 3.595 10 0 BHAERN Cc1cc(N)cc([C@@H]2CCCC[C@H]2C)c1 ZINC000536950148 387162574 /nfs/dbraw/zinc/16/25/74/387162574.db2.gz MLXDJGUJVNJHSE-BXUZGUMPSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cc(N)cc([C@H]2CCCC[C@@H]2C)c1 ZINC000536950150 387162625 /nfs/dbraw/zinc/16/26/25/387162625.db2.gz MLXDJGUJVNJHSE-FZMZJTMJSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cc(N)cc([C@H]2CCCC[C@H]2C)c1 ZINC000536950153 387161774 /nfs/dbraw/zinc/16/17/74/387161774.db2.gz MLXDJGUJVNJHSE-RISCZKNCSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cc(N)cc([C@@H]2CCCC[C@@H]2C)c1 ZINC000536950155 323952921 /nfs/dbraw/zinc/95/29/21/323952921.db2.gz MLXDJGUJVNJHSE-SMDDNHRTSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cc(N)cc(C2CCC(C)CC2)c1 ZINC000536950158 387162381 /nfs/dbraw/zinc/16/23/81/387162381.db2.gz MWKGIGUULFHDQF-UHFFFAOYSA-N 0 0 203.329 3.871 10 0 BHAERN C[C@@H]1CCC[C@@H](c2ccc(N)cc2F)C1 ZINC000536950173 323952787 /nfs/dbraw/zinc/95/27/87/323952787.db2.gz NCCOPRZEAWCHPA-NXEZZACHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@H](c2ccc(N)cc2F)C1 ZINC000536950177 387162594 /nfs/dbraw/zinc/16/25/94/387162594.db2.gz NCCOPRZEAWCHPA-UWVGGRQHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@@H](c2ccc(N)cc2F)C1 ZINC000536950179 323952815 /nfs/dbraw/zinc/95/28/15/323952815.db2.gz NCCOPRZEAWCHPA-VHSXEESVSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCC[C@H](c2ccc(N)cc2F)C1 ZINC000536950180 323953005 /nfs/dbraw/zinc/95/30/05/323953005.db2.gz NCCOPRZEAWCHPA-ZJUUUORDSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCCC[C@H]1c1cc(F)ccc1N ZINC000536950196 323952756 /nfs/dbraw/zinc/95/27/56/323952756.db2.gz NRDUJMVJRKLZJR-GXSJLCMTSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCCC[C@@H]1c1cc(F)ccc1N ZINC000536950201 323952751 /nfs/dbraw/zinc/95/27/51/323952751.db2.gz NRDUJMVJRKLZJR-KOLCDFICSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCCC[C@H]1c1cc(F)ccc1N ZINC000536950202 323952789 /nfs/dbraw/zinc/95/27/89/323952789.db2.gz NRDUJMVJRKLZJR-MWLCHTKSSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCCC[C@@H]1c1cc(F)ccc1N ZINC000536950355 387161932 /nfs/dbraw/zinc/16/19/32/387161932.db2.gz NRDUJMVJRKLZJR-ONGXEEELSA-N 0 0 207.292 3.702 10 0 BHAERN CC[C@H]1CCC[C@H](c2ccc(N)cc2)C1 ZINC000536950371 387162652 /nfs/dbraw/zinc/16/26/52/387162652.db2.gz OIQUJRPNJLZTJA-AAEUAGOBSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@@H]1CCC[C@@H](c2ccc(N)cc2)C1 ZINC000536950374 323953856 /nfs/dbraw/zinc/95/38/56/323953856.db2.gz OIQUJRPNJLZTJA-DGCLKSJQSA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@H]1CCC[C@@H](c2ccc(N)cc2)C1 ZINC000536950376 387162656 /nfs/dbraw/zinc/16/26/56/387162656.db2.gz OIQUJRPNJLZTJA-WCQYABFASA-N 0 0 203.329 3.953 10 0 BHAERN CC[C@@H]1CCC[C@H](c2ccc(N)cc2)C1 ZINC000536950378 387162577 /nfs/dbraw/zinc/16/25/77/387162577.db2.gz OIQUJRPNJLZTJA-YPMHNXCESA-N 0 0 203.329 3.953 10 0 BHAERN Cc1ccc(N)c([C@@H]2CCC[C@H](C)C2)c1 ZINC000536950382 387162601 /nfs/dbraw/zinc/16/26/01/387162601.db2.gz OLTDUCWKXVLCSF-CMPLNLGQSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)c([C@H]2CCC[C@H](C)C2)c1 ZINC000536950384 387162584 /nfs/dbraw/zinc/16/25/84/387162584.db2.gz OLTDUCWKXVLCSF-JQWIXIFHSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)c([C@H]2CCC[C@@H](C)C2)c1 ZINC000536950385 387162715 /nfs/dbraw/zinc/16/27/15/387162715.db2.gz OLTDUCWKXVLCSF-PWSUYJOCSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)c([C@@H]2CCC[C@@H](C)C2)c1 ZINC000536950386 387161642 /nfs/dbraw/zinc/16/16/42/387161642.db2.gz OLTDUCWKXVLCSF-ZYHUDNBSSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cc(N)cc([C@@H]2CCC[C@H](C)C2)c1 ZINC000536950430 387162325 /nfs/dbraw/zinc/16/23/25/387162325.db2.gz PQJDPHVWQHXHBG-CMPLNLGQSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cc(N)cc([C@H]2CCC[C@H](C)C2)c1 ZINC000536950434 387161862 /nfs/dbraw/zinc/16/18/62/387161862.db2.gz PQJDPHVWQHXHBG-JQWIXIFHSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cc(N)cc([C@H]2CCC[C@@H](C)C2)c1 ZINC000536950435 387161834 /nfs/dbraw/zinc/16/18/34/387161834.db2.gz PQJDPHVWQHXHBG-PWSUYJOCSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cc(N)cc([C@@H]2CCC[C@@H](C)C2)c1 ZINC000536950436 387161926 /nfs/dbraw/zinc/16/19/26/387161926.db2.gz PQJDPHVWQHXHBG-ZYHUDNBSSA-N 0 0 203.329 3.871 10 0 BHAERN CC1(C)CCC(c2ccc(N)cc2)CC1 ZINC000536950437 387162316 /nfs/dbraw/zinc/16/23/16/387162316.db2.gz PSZFGELPGHLBHI-UHFFFAOYSA-N 0 0 203.329 3.953 10 0 BHAERN C[C@@H]1CCC[C@@H](c2ccc(F)c(N)c2)C1 ZINC000536950438 323953802 /nfs/dbraw/zinc/95/38/02/323953802.db2.gz QBYDZNQCJGZLRO-NXEZZACHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@H](c2ccc(F)c(N)c2)C1 ZINC000536950441 387162105 /nfs/dbraw/zinc/16/21/05/387162105.db2.gz QBYDZNQCJGZLRO-UWVGGRQHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@@H](c2ccc(F)c(N)c2)C1 ZINC000536950443 387161731 /nfs/dbraw/zinc/16/17/31/387161731.db2.gz QBYDZNQCJGZLRO-VHSXEESVSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCC[C@H](c2ccc(F)c(N)c2)C1 ZINC000536950445 387161920 /nfs/dbraw/zinc/16/19/20/387161920.db2.gz QBYDZNQCJGZLRO-ZJUUUORDSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCC[C@@H](c2cccc(N)c2F)C1 ZINC000536950446 323953598 /nfs/dbraw/zinc/95/35/98/323953598.db2.gz QBYWQLRJPIPYSS-NXEZZACHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@H](c2cccc(N)c2F)C1 ZINC000536950451 387162055 /nfs/dbraw/zinc/16/20/55/387162055.db2.gz QBYWQLRJPIPYSS-UWVGGRQHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCC[C@@H](c2cccc(N)c2F)C1 ZINC000536950453 323953746 /nfs/dbraw/zinc/95/37/46/323953746.db2.gz QBYWQLRJPIPYSS-VHSXEESVSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCC[C@H](c2cccc(N)c2F)C1 ZINC000536950454 323953610 /nfs/dbraw/zinc/95/36/10/323953610.db2.gz QBYWQLRJPIPYSS-ZJUUUORDSA-N 0 0 207.292 3.702 10 0 BHAERN Nc1c(F)cc(C2CCCCC2)cc1F ZINC000536950455 387162663 /nfs/dbraw/zinc/16/26/63/387162663.db2.gz QCJBSULUPFKXKH-UHFFFAOYSA-N 0 0 211.255 3.595 10 0 BHAERN Cc1c(N)cccc1C1CCC(C)CC1 ZINC000536950459 387162353 /nfs/dbraw/zinc/16/23/53/387162353.db2.gz QFKNVFGHJXASTN-UHFFFAOYSA-N 0 0 203.329 3.871 10 0 BHAERN C[C@@H]1CC[C@@H](C)[C@@H](c2ccc(N)cc2)C1 ZINC000536950460 387161672 /nfs/dbraw/zinc/16/16/72/387161672.db2.gz QJZYJUTZCWMZKA-GYSYKLTISA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](C)[C@H](c2ccc(N)cc2)C1 ZINC000536950461 387161747 /nfs/dbraw/zinc/16/17/47/387161747.db2.gz QJZYJUTZCWMZKA-JTNHKYCSSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](C)[C@@H](c2ccc(N)cc2)C1 ZINC000536950462 387161764 /nfs/dbraw/zinc/16/17/64/387161764.db2.gz QJZYJUTZCWMZKA-SUNKGSAMSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](C)[C@H](c2ccc(N)cc2)C1 ZINC000536950463 323953791 /nfs/dbraw/zinc/95/37/91/323953791.db2.gz QJZYJUTZCWMZKA-UHIISALHSA-N 0 0 203.329 3.809 10 0 BHAERN CC1(C)CCCC[C@@H]1c1cccc(N)c1 ZINC000536950464 323953701 /nfs/dbraw/zinc/95/37/01/323953701.db2.gz QLBZDILMEVHIQK-CYBMUJFWSA-N 0 0 203.329 3.953 10 0 BHAERN CC1(C)CCCC[C@H]1c1cccc(N)c1 ZINC000536950468 387162313 /nfs/dbraw/zinc/16/23/13/387162313.db2.gz QLBZDILMEVHIQK-ZDUSSCGKSA-N 0 0 203.329 3.953 10 0 BHAERN C[C@H]1CCCC[C@H]1c1ccc(N)cc1F ZINC000536950471 323953885 /nfs/dbraw/zinc/95/38/85/323953885.db2.gz QTFARTYSGDVKGG-GXSJLCMTSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCCC[C@@H]1c1ccc(N)cc1F ZINC000536950473 387161981 /nfs/dbraw/zinc/16/19/81/387161981.db2.gz QTFARTYSGDVKGG-KOLCDFICSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCCC[C@H]1c1ccc(N)cc1F ZINC000536950475 387161908 /nfs/dbraw/zinc/16/19/08/387161908.db2.gz QTFARTYSGDVKGG-MWLCHTKSSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCCC[C@@H]1c1ccc(N)cc1F ZINC000536950478 387162321 /nfs/dbraw/zinc/16/23/21/387162321.db2.gz QTFARTYSGDVKGG-ONGXEEELSA-N 0 0 207.292 3.702 10 0 BHAERN CC1(C)CCCC[C@@H]1c1ccc(N)cc1 ZINC000536950479 323953601 /nfs/dbraw/zinc/95/36/01/323953601.db2.gz RBBRLGNDUNFALT-CYBMUJFWSA-N 0 0 203.329 3.953 10 0 BHAERN CC1(C)CCCC[C@H]1c1ccc(N)cc1 ZINC000536950484 323953604 /nfs/dbraw/zinc/95/36/04/323953604.db2.gz RBBRLGNDUNFALT-ZDUSSCGKSA-N 0 0 203.329 3.953 10 0 BHAERN C[C@H]1CC(c2cccc(N)c2)C[C@H](C)C1 ZINC000536950493 323953755 /nfs/dbraw/zinc/95/37/55/323953755.db2.gz RRTVZKKSMHTBJL-GHMZBOCLSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@H]1C[C@H](c2cccc(N)c2)C[C@@H](C)C1 ZINC000536950494 323953794 /nfs/dbraw/zinc/95/37/94/323953794.db2.gz RRTVZKKSMHTBJL-PJXYFTJBSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC(c2cccc(N)c2)C[C@@H](C)C1 ZINC000536950495 387162074 /nfs/dbraw/zinc/16/20/74/387162074.db2.gz RRTVZKKSMHTBJL-QWRGUYRKSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CCC[C@@H](C)C1c1ccc(N)cc1 ZINC000536950502 323954432 /nfs/dbraw/zinc/95/44/32/323954432.db2.gz SDPYOXURDPBYDS-GHMZBOCLSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@H]1CCC[C@H](C)C1c1ccc(N)cc1 ZINC000536950516 387162272 /nfs/dbraw/zinc/16/22/72/387162272.db2.gz SDPYOXURDPBYDS-QWRGUYRKSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CCC[C@H](C)[C@H]1c1ccc(N)cc1 ZINC000536950518 323954371 /nfs/dbraw/zinc/95/43/71/323954371.db2.gz SDPYOXURDPBYDS-YABSGUDNSA-N 0 0 203.329 3.809 10 0 BHAERN Nc1ccc(C2CCC3(CC3)CC2)cc1 ZINC000536950526 387162614 /nfs/dbraw/zinc/16/26/14/387162614.db2.gz SMHNXMUAZQUJRG-UHFFFAOYSA-N 0 0 201.313 3.707 10 0 BHAERN CC1(C)CCC[C@@H](c2ccccc2N)C1 ZINC000536950546 387162687 /nfs/dbraw/zinc/16/26/87/387162687.db2.gz SSWOMAKWIMHOHK-LLVKDONJSA-N 0 0 203.329 3.953 10 0 BHAERN CC1(C)CCC[C@H](c2ccccc2N)C1 ZINC000536950548 323954527 /nfs/dbraw/zinc/95/45/27/323954527.db2.gz SSWOMAKWIMHOHK-NSHDSACASA-N 0 0 203.329 3.953 10 0 BHAERN C[C@@H]1CC[C@H](c2ccc(N)cc2)C[C@@H]1C ZINC000536950549 323954465 /nfs/dbraw/zinc/95/44/65/323954465.db2.gz TZPLZCXAHCAOAH-MDZLAQPJSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](c2ccc(N)cc2)C[C@H]1C ZINC000536950552 323954429 /nfs/dbraw/zinc/95/44/29/323954429.db2.gz TZPLZCXAHCAOAH-NQBHXWOUSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](c2ccc(N)cc2)C[C@@H]1C ZINC000536950553 387162194 /nfs/dbraw/zinc/16/21/94/387162194.db2.gz TZPLZCXAHCAOAH-NTZNESFSSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](c2ccc(N)cc2)C[C@H]1C ZINC000536950554 387162493 /nfs/dbraw/zinc/16/24/93/387162493.db2.gz TZPLZCXAHCAOAH-WZRBSPASSA-N 0 0 203.329 3.809 10 0 BHAERN Cc1c(N)cccc1[C@@H]1CCCC[C@@H]1C ZINC000536950555 323954460 /nfs/dbraw/zinc/95/44/60/323954460.db2.gz UJTTYJMBPRFYDK-CMPLNLGQSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1c(N)cccc1[C@H]1CCCC[C@@H]1C ZINC000536950558 387161808 /nfs/dbraw/zinc/16/18/08/387161808.db2.gz UJTTYJMBPRFYDK-JQWIXIFHSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1c(N)cccc1[C@H]1CCCC[C@H]1C ZINC000536950559 387161872 /nfs/dbraw/zinc/16/18/72/387161872.db2.gz UJTTYJMBPRFYDK-PWSUYJOCSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1c(N)cccc1[C@@H]1CCCC[C@H]1C ZINC000536950561 323954453 /nfs/dbraw/zinc/95/44/53/323954453.db2.gz UJTTYJMBPRFYDK-ZYHUDNBSSA-N 0 0 203.329 3.871 10 0 BHAERN C[C@@H]1CC[C@@H](C)[C@@H](c2cccc(N)c2)C1 ZINC000536950562 387162403 /nfs/dbraw/zinc/16/24/03/387162403.db2.gz UKWGURLMPSIGIX-GYSYKLTISA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](C)[C@H](c2cccc(N)c2)C1 ZINC000536950572 387162420 /nfs/dbraw/zinc/16/24/20/387162420.db2.gz UKWGURLMPSIGIX-JTNHKYCSSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](C)[C@@H](c2cccc(N)c2)C1 ZINC000536950573 323954306 /nfs/dbraw/zinc/95/43/06/323954306.db2.gz UKWGURLMPSIGIX-SUNKGSAMSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](C)[C@H](c2cccc(N)c2)C1 ZINC000536950576 323954615 /nfs/dbraw/zinc/95/46/15/323954615.db2.gz UKWGURLMPSIGIX-UHIISALHSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CCCC[C@H]1c1cccc(N)c1F ZINC000536950588 323954422 /nfs/dbraw/zinc/95/44/22/323954422.db2.gz UPCLTFWMRFHNIV-NXEZZACHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCCC[C@@H]1c1cccc(N)c1F ZINC000536950590 387162216 /nfs/dbraw/zinc/16/22/16/387162216.db2.gz UPCLTFWMRFHNIV-UWVGGRQHSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCCC[C@H]1c1cccc(N)c1F ZINC000536950591 323954406 /nfs/dbraw/zinc/95/44/06/323954406.db2.gz UPCLTFWMRFHNIV-VHSXEESVSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCCC[C@@H]1c1cccc(N)c1F ZINC000536950592 323954413 /nfs/dbraw/zinc/95/44/13/323954413.db2.gz UPCLTFWMRFHNIV-ZJUUUORDSA-N 0 0 207.292 3.702 10 0 BHAERN Cc1ccc(N)cc1[C@H]1CCCC[C@@H]1C ZINC000536950604 323954408 /nfs/dbraw/zinc/95/44/08/323954408.db2.gz VCZXXMINKGBXBF-GWCFXTLKSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)cc1[C@@H]1CCCC[C@@H]1C ZINC000536950605 323954461 /nfs/dbraw/zinc/95/44/61/323954461.db2.gz VCZXXMINKGBXBF-GXFFZTMASA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)cc1[C@H]1CCCC[C@H]1C ZINC000536950607 323954435 /nfs/dbraw/zinc/95/44/35/323954435.db2.gz VCZXXMINKGBXBF-MFKMUULPSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)cc1[C@@H]1CCCC[C@H]1C ZINC000536950608 323954403 /nfs/dbraw/zinc/95/44/03/323954403.db2.gz VCZXXMINKGBXBF-ZWNOBZJWSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cc(C2CCCCC2)c(F)cc1N ZINC000536950653 387162240 /nfs/dbraw/zinc/16/22/40/387162240.db2.gz VGEPRGUULHJYGL-UHFFFAOYSA-N 0 0 207.292 3.764 10 0 BHAERN C[C@H]1CCCC[C@H]1c1ccc(F)c(N)c1 ZINC000536950656 323954439 /nfs/dbraw/zinc/95/44/39/323954439.db2.gz VHVMJVJBGRWLPG-GXSJLCMTSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCCC[C@@H]1c1ccc(F)c(N)c1 ZINC000536950657 323954415 /nfs/dbraw/zinc/95/44/15/323954415.db2.gz VHVMJVJBGRWLPG-KOLCDFICSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@@H]1CCCC[C@H]1c1ccc(F)c(N)c1 ZINC000536950662 323954510 /nfs/dbraw/zinc/95/45/10/323954510.db2.gz VHVMJVJBGRWLPG-MWLCHTKSSA-N 0 0 207.292 3.702 10 0 BHAERN C[C@H]1CCCC[C@@H]1c1ccc(F)c(N)c1 ZINC000536950663 387161828 /nfs/dbraw/zinc/16/18/28/387161828.db2.gz VHVMJVJBGRWLPG-ONGXEEELSA-N 0 0 207.292 3.702 10 0 BHAERN Cc1cccc(N)c1[C@@H]1CCCC[C@@H]1C ZINC000536950664 387161756 /nfs/dbraw/zinc/16/17/56/387161756.db2.gz VIUGHPXNEUIZTH-CMPLNLGQSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cccc(N)c1[C@H]1CCCC[C@@H]1C ZINC000536950665 323954442 /nfs/dbraw/zinc/95/44/42/323954442.db2.gz VIUGHPXNEUIZTH-JQWIXIFHSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cccc(N)c1[C@H]1CCCC[C@H]1C ZINC000536950666 387162462 /nfs/dbraw/zinc/16/24/62/387162462.db2.gz VIUGHPXNEUIZTH-PWSUYJOCSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1cccc(N)c1[C@@H]1CCCC[C@H]1C ZINC000536950668 323954319 /nfs/dbraw/zinc/95/43/19/323954319.db2.gz VIUGHPXNEUIZTH-ZYHUDNBSSA-N 0 0 203.329 3.871 10 0 BHAERN CCc1cc(C2CCCCC2)ccc1N ZINC000536950670 323954620 /nfs/dbraw/zinc/95/46/20/323954620.db2.gz VOQYIGMQJZCORI-UHFFFAOYSA-N 0 0 203.329 3.879 10 0 BHAERN C[C@@H]1CC[C@H](c2ccc(N)cc2)[C@H](C)C1 ZINC000536950672 387161896 /nfs/dbraw/zinc/16/18/96/387161896.db2.gz VTFMSEFFGDZOEX-GYSYKLTISA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](c2ccc(N)cc2)[C@H](C)C1 ZINC000536950673 323954444 /nfs/dbraw/zinc/95/44/44/323954444.db2.gz VTFMSEFFGDZOEX-JTNHKYCSSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@H](c2ccc(N)cc2)[C@@H](C)C1 ZINC000536950674 387162176 /nfs/dbraw/zinc/16/21/76/387162176.db2.gz VTFMSEFFGDZOEX-SUNKGSAMSA-N 0 0 203.329 3.809 10 0 BHAERN C[C@@H]1CC[C@@H](c2ccc(N)cc2)[C@@H](C)C1 ZINC000536950675 387162336 /nfs/dbraw/zinc/16/23/36/387162336.db2.gz VTFMSEFFGDZOEX-UHIISALHSA-N 0 0 203.329 3.809 10 0 BHAERN Cc1ccc(N)cc1[C@@H]1CCC[C@H](C)C1 ZINC000536950676 387161839 /nfs/dbraw/zinc/16/18/39/387161839.db2.gz VXGMWEUSQULNDD-CMPLNLGQSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)cc1[C@H]1CCC[C@H](C)C1 ZINC000536950679 323954437 /nfs/dbraw/zinc/95/44/37/323954437.db2.gz VXGMWEUSQULNDD-JQWIXIFHSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)cc1[C@H]1CCC[C@@H](C)C1 ZINC000536950680 387162204 /nfs/dbraw/zinc/16/22/04/387162204.db2.gz VXGMWEUSQULNDD-PWSUYJOCSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1ccc(N)cc1[C@@H]1CCC[C@@H](C)C1 ZINC000536950681 323954552 /nfs/dbraw/zinc/95/45/52/323954552.db2.gz VXGMWEUSQULNDD-ZYHUDNBSSA-N 0 0 203.329 3.871 10 0 BHAERN Cc1nn(-c2cccc(F)c2Cl)c(C)c1C ZINC000536950682 387162609 /nfs/dbraw/zinc/16/26/09/387162609.db2.gz WJMSEPSJQAQLML-UHFFFAOYSA-N 0 0 238.693 3.590 10 0 BHAERN CC1CCC(c2ccc(F)cc2N)CC1 ZINC000536950731 387161887 /nfs/dbraw/zinc/16/18/87/387161887.db2.gz XUWQXZJNVZTEQP-UHFFFAOYSA-N 0 0 207.292 3.702 10 0 BHAERN CC1CCC(c2cc(F)ccc2N)CC1 ZINC000536950749 387161634 /nfs/dbraw/zinc/16/16/34/387161634.db2.gz YTZDJLBGNPORMT-UHFFFAOYSA-N 0 0 207.292 3.702 10 0 BHAERN CCC[C@@H](O)c1ccc(OC)cc1C(F)(F)F ZINC000536950959 323955951 /nfs/dbraw/zinc/95/59/51/323955951.db2.gz XYRVTAOBDHWMFZ-LLVKDONJSA-N 0 0 248.244 3.548 10 0 BHAERN CCC[C@H](O)c1ccc(OC)cc1C(F)(F)F ZINC000536950962 387163619 /nfs/dbraw/zinc/16/36/19/387163619.db2.gz XYRVTAOBDHWMFZ-NSHDSACASA-N 0 0 248.244 3.548 10 0 BHAERN CCS(=O)(CC)=Nc1cc(C)sc1C ZINC000536951485 323956630 /nfs/dbraw/zinc/95/66/30/323956630.db2.gz RJRQZKUBUNQNGL-UHFFFAOYSA-N 0 0 231.386 3.504 10 0 BHAERN Cc1cccc(N=[S@@](C)(=O)c2ccccc2)c1 ZINC000536951859 323957481 /nfs/dbraw/zinc/95/74/81/323957481.db2.gz YIKGLEYDDYEBJR-KRWDZBQOSA-N 0 0 245.347 3.783 10 0 BHAERN Cc1cccc(N=[S@](C)(=O)c2ccccc2)c1 ZINC000536951860 323957506 /nfs/dbraw/zinc/95/75/06/323957506.db2.gz YIKGLEYDDYEBJR-QGZVFWFLSA-N 0 0 245.347 3.783 10 0 BHAERN C[C@@H]1CCC[C@H](C)[C@@]12CC[C@H]1C[C@H]1CO2 ZINC000536952030 387163343 /nfs/dbraw/zinc/16/33/43/387163343.db2.gz AGUXSCZAOZTYIT-NDKCEZKHSA-N 0 0 208.345 3.628 10 0 BHAERN C[C@@H]1CCC[C@H](C)[C@@]12CC[C@H]1C[C@@H]1CO2 ZINC000536952033 387163674 /nfs/dbraw/zinc/16/36/74/387163674.db2.gz AGUXSCZAOZTYIT-VJTDZRGJSA-N 0 0 208.345 3.628 10 0 BHAERN C[C@@H]1CCC[C@H](C)[C@@]12CC[C@@H]1C[C@H]1CO2 ZINC000536952034 387163103 /nfs/dbraw/zinc/16/31/03/387163103.db2.gz AGUXSCZAOZTYIT-XHJNMGKDSA-N 0 0 208.345 3.628 10 0 BHAERN C[C@@H]1CCC[C@H](C)[C@@]12CC[C@@H]1C[C@@H]1CO2 ZINC000536952035 323957228 /nfs/dbraw/zinc/95/72/28/323957228.db2.gz AGUXSCZAOZTYIT-XVIXHAIJSA-N 0 0 208.345 3.628 10 0 BHAERN CC1(C)CCC2(CC1)CC[C@@H]1C[C@H]1CO2 ZINC000536952156 323958179 /nfs/dbraw/zinc/95/81/79/323958179.db2.gz BMRQRRITDRCFQY-NEPJUHHUSA-N 0 0 208.345 3.772 10 0 BHAERN CC1(C)CCC2(CC1)CC[C@H]1C[C@@H]1CO2 ZINC000536952168 323958234 /nfs/dbraw/zinc/95/82/34/323958234.db2.gz BMRQRRITDRCFQY-NWDGAFQWSA-N 0 0 208.345 3.772 10 0 BHAERN CC1(C)CCC2(CC1)CC[C@H]1C[C@H]1CO2 ZINC000536952170 387164883 /nfs/dbraw/zinc/16/48/83/387164883.db2.gz BMRQRRITDRCFQY-RYUDHWBXSA-N 0 0 208.345 3.772 10 0 BHAERN CC1(C)CCC2(CC1)CC[C@@H]1C[C@@H]1CO2 ZINC000536952171 323958058 /nfs/dbraw/zinc/95/80/58/323958058.db2.gz BMRQRRITDRCFQY-VXGBXAGGSA-N 0 0 208.345 3.772 10 0 BHAERN CCc1cccc2c1NCC2(CC)CC ZINC000536952389 387165057 /nfs/dbraw/zinc/16/50/57/387165057.db2.gz CNCDMWXEQLCCKW-UHFFFAOYSA-N 0 0 203.329 3.732 10 0 BHAERN O=Cc1ccccc1-c1cnc(C(F)F)s1 ZINC000536952425 387164723 /nfs/dbraw/zinc/16/47/23/387164723.db2.gz BKJOJDIGFGYXHQ-UHFFFAOYSA-N 0 0 239.246 3.560 10 0 BHAERN Cc1cc(NC(=O)C2CCC2)cc(OC(C)C)c1 ZINC000536952882 387165287 /nfs/dbraw/zinc/16/52/87/387165287.db2.gz FGZQKYFNPCRWIS-UHFFFAOYSA-N 0 0 247.338 3.521 10 0 BHAERN CCC1CCC2(CC1)CC[C@@H]1C[C@@H]1CO2 ZINC000536952886 323959928 /nfs/dbraw/zinc/95/99/28/323959928.db2.gz DUVXNMGECPHZOF-CEUNDQEZSA-N 0 0 208.345 3.772 10 0 BHAERN CCC1CCC2(CC1)CC[C@@H]1C[C@H]1CO2 ZINC000536952891 323959512 /nfs/dbraw/zinc/95/95/12/323959512.db2.gz DUVXNMGECPHZOF-DKNRTOFZSA-N 0 0 208.345 3.772 10 0 BHAERN CCC1CCC2(CC1)CC[C@H]1C[C@H]1CO2 ZINC000536952895 323959802 /nfs/dbraw/zinc/95/98/02/323959802.db2.gz DUVXNMGECPHZOF-QPPOZKHWSA-N 0 0 208.345 3.772 10 0 BHAERN CCC1CCC2(CC1)CC[C@H]1C[C@@H]1CO2 ZINC000536952897 323959600 /nfs/dbraw/zinc/95/96/00/323959600.db2.gz DUVXNMGECPHZOF-YIFLHPOLSA-N 0 0 208.345 3.772 10 0 BHAERN CCCC(=O)Nc1cc(C)cc(OC(C)C)c1 ZINC000536952998 387165247 /nfs/dbraw/zinc/16/52/47/387165247.db2.gz GTYIJBFLACRSGO-UHFFFAOYSA-N 0 0 235.327 3.521 10 0 BHAERN CC1(C)CCC[C@@]2(C1)CC[C@@H]1C[C@@H]1CO2 ZINC000536953270 387164611 /nfs/dbraw/zinc/16/46/11/387164611.db2.gz GLHKJZZITZAVPP-BZPMIXESSA-N 0 0 208.345 3.772 10 0 BHAERN CC1(C)CCC[C@@]2(C1)CC[C@@H]1C[C@H]1CO2 ZINC000536953271 387166147 /nfs/dbraw/zinc/16/61/47/387166147.db2.gz GLHKJZZITZAVPP-DYEKYZERSA-N 0 0 208.345 3.772 10 0 BHAERN CC1(C)CCC[C@@]2(C1)CC[C@H]1C[C@H]1CO2 ZINC000536953272 323960688 /nfs/dbraw/zinc/96/06/88/323960688.db2.gz GLHKJZZITZAVPP-OBJOEFQTSA-N 0 0 208.345 3.772 10 0 BHAERN CC1(C)CCC[C@@]2(C1)CC[C@H]1C[C@@H]1CO2 ZINC000536953274 323960780 /nfs/dbraw/zinc/96/07/80/323960780.db2.gz GLHKJZZITZAVPP-SCRDCRAPSA-N 0 0 208.345 3.772 10 0 BHAERN Clc1ccc(C2CCOCC2)c(Cl)c1 ZINC000536953334 387166092 /nfs/dbraw/zinc/16/60/92/387166092.db2.gz JKWDGOOVKJSUMT-UHFFFAOYSA-N 0 0 231.122 3.887 10 0 BHAERN CC(C)C1CCC2(CC1)CCC=CCO2 ZINC000536953375 323960451 /nfs/dbraw/zinc/96/04/51/323960451.db2.gz HBPIPAHDBANNSG-UHFFFAOYSA-N 0 0 208.345 3.938 10 0 BHAERN CCc1c(C)nc2ccc(F)cc2c1CC ZINC000536953427 387166726 /nfs/dbraw/zinc/16/67/26/387166726.db2.gz LPKIZZLVDLAECB-UHFFFAOYSA-N 0 0 217.287 3.807 10 0 BHAERN COc1ccc(-c2cnc(C(F)F)s2)cc1 ZINC000536953446 323961517 /nfs/dbraw/zinc/96/15/17/323961517.db2.gz HSSCAONWCGYRSL-UHFFFAOYSA-N 0 0 241.262 3.756 10 0 BHAERN CCc1c(C)nc2cccc(C)c2c1CC ZINC000536953515 323961287 /nfs/dbraw/zinc/96/12/87/323961287.db2.gz MAZKICYNBQMALI-UHFFFAOYSA-N 0 0 213.324 3.976 10 0 BHAERN Clc1cccc(C2CCOCC2)c1Cl ZINC000536953628 387166530 /nfs/dbraw/zinc/16/65/30/387166530.db2.gz LCNUYWXSFJMSPD-UHFFFAOYSA-N 0 0 231.122 3.887 10 0 BHAERN CCc1c(C)nc2cccc(F)c2c1CC ZINC000536953692 387166703 /nfs/dbraw/zinc/16/67/03/387166703.db2.gz OIDUGELCFAKISL-UHFFFAOYSA-N 0 0 217.287 3.807 10 0 BHAERN Clc1ccc(Cl)c(C2CCOCC2)c1 ZINC000536953773 323961295 /nfs/dbraw/zinc/96/12/95/323961295.db2.gz MFUQTTZXEMYQSH-UHFFFAOYSA-N 0 0 231.122 3.887 10 0 BHAERN CC(C)c1cc(-c2ccccc2F)on1 ZINC000536953853 323962044 /nfs/dbraw/zinc/96/20/44/323962044.db2.gz KRBFITOJKLJKBY-UHFFFAOYSA-N 0 0 205.232 3.604 10 0 BHAERN Clc1cc(Cl)cc(C2CCOCC2)c1 ZINC000536954356 398198095 /nfs/dbraw/zinc/19/80/95/398198095.db2.gz PPPPMMCXIVHISZ-UHFFFAOYSA-N 0 0 231.122 3.887 10 0 BHAERN COc1cccc(-c2cnc(C(F)F)s2)c1 ZINC000536954413 398198017 /nfs/dbraw/zinc/19/80/17/398198017.db2.gz LQSPLMBWJSMLNN-UHFFFAOYSA-N 0 0 241.262 3.756 10 0 BHAERN CC(C)c1cc(-c2cccc(F)c2)on1 ZINC000536954921 387168354 /nfs/dbraw/zinc/16/83/54/387168354.db2.gz RRCSZCOTMKPBSV-UHFFFAOYSA-N 0 0 205.232 3.604 10 0 BHAERN FC(F)c1ncc(-c2ccccc2)s1 ZINC000536955061 323964454 /nfs/dbraw/zinc/96/44/54/323964454.db2.gz ORNIZBFUAYLCJC-UHFFFAOYSA-N 0 0 211.236 3.748 10 0 BHAERN CC[C@@H]1CCC[C@@]2(C1)CC[C@@H]1C[C@H]1CO2 ZINC000536955150 387167423 /nfs/dbraw/zinc/16/74/23/387167423.db2.gz OUYZCZSPJKQBBZ-MQYQWHSLSA-N 0 0 208.345 3.772 10 0 BHAERN CC[C@@H]1CCC[C@@]2(C1)CC[C@H]1C[C@H]1CO2 ZINC000536955151 323964451 /nfs/dbraw/zinc/96/44/51/323964451.db2.gz OUYZCZSPJKQBBZ-RFGFWPKPSA-N 0 0 208.345 3.772 10 0 BHAERN CC[C@@H]1CCC[C@@]2(C1)CC[C@H]1C[C@@H]1CO2 ZINC000536955152 323964953 /nfs/dbraw/zinc/96/49/53/323964953.db2.gz OUYZCZSPJKQBBZ-RQJABVFESA-N 0 0 208.345 3.772 10 0 BHAERN CC[C@@H]1CCC[C@@]2(C1)CC[C@@H]1C[C@@H]1CO2 ZINC000536955153 323965191 /nfs/dbraw/zinc/96/51/91/323965191.db2.gz OUYZCZSPJKQBBZ-SYQHCUMBSA-N 0 0 208.345 3.772 10 0 BHAERN Fc1cccc2cc(Cl)nc(Cl)c12 ZINC000536955162 323965350 /nfs/dbraw/zinc/96/53/50/323965350.db2.gz OEJFEZQYVZUSEC-UHFFFAOYSA-N 0 0 216.042 3.681 10 0 BHAERN Cc1cc(NC(=O)CC(C)C)cc(OC(C)C)c1 ZINC000536955223 387167804 /nfs/dbraw/zinc/16/78/04/387167804.db2.gz VTNJYIJAHSSTHG-UHFFFAOYSA-N 0 0 249.354 3.767 10 0 BHAERN FC(F)c1ncc(-c2cccs2)s1 ZINC000536955226 323965306 /nfs/dbraw/zinc/96/53/06/323965306.db2.gz PXRIUHIWSSHCJD-UHFFFAOYSA-N 0 0 217.265 3.809 10 0 BHAERN O=Cc1ccc(-c2cnc(C(F)F)s2)cc1 ZINC000536955255 323965362 /nfs/dbraw/zinc/96/53/62/323965362.db2.gz QCBQGGWHSTZQTO-UHFFFAOYSA-N 0 0 239.246 3.560 10 0 BHAERN C[C@H](Sc1ccsc1)N1CCCCC1 ZINC000536955418 323964965 /nfs/dbraw/zinc/96/49/65/323964965.db2.gz 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RZKPWYUISQWQET-UHFFFAOYSA-N 0 0 229.226 3.887 10 0 BHAERN Oc1cc(Cl)cnc1-c1ccc(Cl)cc1 ZINC000536955802 387169365 /nfs/dbraw/zinc/16/93/65/387169365.db2.gz ZUKKPXGSVLVFST-UHFFFAOYSA-N 0 0 240.089 3.761 10 0 BHAERN CC(F)(F)c1ccn(C2CCCCC2)n1 ZINC000536955944 323966366 /nfs/dbraw/zinc/96/63/66/323966366.db2.gz WGZVQSQZTDCMLJ-UHFFFAOYSA-N 0 0 214.259 3.500 10 0 BHAERN CC(C)[C@H]1CCC[C@]2(C1)CCC=CCO2 ZINC000536956093 323966411 /nfs/dbraw/zinc/96/64/11/323966411.db2.gz VFGBGMQBFIXOHT-KBPBESRZSA-N 0 0 208.345 3.938 10 0 BHAERN CC(C)[C@@H]1CCC[C@]2(C1)CCC=CCO2 ZINC000536956094 323966231 /nfs/dbraw/zinc/96/62/31/323966231.db2.gz VFGBGMQBFIXOHT-KGLIPLIRSA-N 0 0 208.345 3.938 10 0 BHAERN CC(C)[C@H]1CCC[C@@]2(C1)CCC=CCO2 ZINC000536956095 387169445 /nfs/dbraw/zinc/16/94/45/387169445.db2.gz VFGBGMQBFIXOHT-UONOGXRCSA-N 0 0 208.345 3.938 10 0 BHAERN CC(C)[C@@H]1CCC[C@@]2(C1)CCC=CCO2 ZINC000536956096 387169619 /nfs/dbraw/zinc/16/96/19/387169619.db2.gz VFGBGMQBFIXOHT-ZIAGYGMSSA-N 0 0 208.345 3.938 10 0 BHAERN CCc1nc(C2C(C)(C)C2(C)C)cs1 ZINC000536956227 323967255 /nfs/dbraw/zinc/96/72/55/323967255.db2.gz XROJVOWWOYAHIZ-UHFFFAOYSA-N 0 0 209.358 3.855 10 0 BHAERN O=Cc1ccc(-c2cnc(C(F)F)s2)s1 ZINC000536956344 323967122 /nfs/dbraw/zinc/96/71/22/323967122.db2.gz YLQVNSQZJJOBBS-UHFFFAOYSA-N 0 0 245.275 3.622 10 0 BHAERN C[C@H]1CC(C)(C)C[C@]2(C1)CCC=CCO2 ZINC000536956564 360006720 /nfs/dbraw/zinc/00/67/20/360006720.db2.gz YVKLFXOXYUSDLI-GXTWGEPZSA-N 0 0 208.345 3.938 10 0 BHAERN C[C@H]1CC(C)(C)C[C@@]2(C1)CCC=CCO2 ZINC000536956565 360007513 /nfs/dbraw/zinc/00/75/13/360007513.db2.gz YVKLFXOXYUSDLI-JSGCOSHPSA-N 0 0 208.345 3.938 10 0 BHAERN C[C@@H]1CC(C)(C)C[C@@]2(C1)CCC=CCO2 ZINC000536956567 360007569 /nfs/dbraw/zinc/00/75/69/360007569.db2.gz YVKLFXOXYUSDLI-OCCSQVGLSA-N 0 0 208.345 3.938 10 0 BHAERN C[C@@H]1CC(C)(C)C[C@]2(C1)CCC=CCO2 ZINC000536956568 360007556 /nfs/dbraw/zinc/00/75/56/360007556.db2.gz YVKLFXOXYUSDLI-TZMCWYRMSA-N 0 0 208.345 3.938 10 0 BHAERN Cc1c(Cl)cccc1N=S1(=O)CCCC1 ZINC000536956738 360007603 /nfs/dbraw/zinc/00/76/03/360007603.db2.gz AOJXGPCNBBVIHX-UHFFFAOYSA-N 0 0 243.759 3.542 10 0 BHAERN Nc1ccc(-c2ccco2)cc1C(F)(F)F ZINC000536956839 360007461 /nfs/dbraw/zinc/00/74/61/360007461.db2.gz AMKMVVDUFGPMNS-UHFFFAOYSA-N 0 0 227.185 3.548 10 0 BHAERN CCn1ccc(-c2ccc(Cl)cc2)c1C=O ZINC000536957200 387170400 /nfs/dbraw/zinc/17/04/00/387170400.db2.gz DMGNQILVAOTPBB-UHFFFAOYSA-N 0 0 233.698 3.641 10 0 BHAERN Cc1ccc(-c2n[nH]cc2C(F)(F)F)cc1F ZINC000536957330 387170447 /nfs/dbraw/zinc/17/04/47/387170447.db2.gz CBLDAYKYSASBND-UHFFFAOYSA-N 0 0 244.191 3.543 10 0 BHAERN Cc1[nH]nc(-c2ccccc2F)c1C(F)(F)F ZINC000536957580 387171417 /nfs/dbraw/zinc/17/14/17/387171417.db2.gz BXUKMDKZIDDXJI-UHFFFAOYSA-N 0 0 244.191 3.543 10 0 BHAERN Cc1nccc2cc(F)cc(C(F)(F)F)c12 ZINC000536957640 323922270 /nfs/dbraw/zinc/92/22/70/323922270.db2.gz CPIMADLBMJBRGT-UHFFFAOYSA-N 0 0 229.176 3.701 10 0 BHAERN Fc1cccc(Br)c1C1CCC1 ZINC000536957686 387171656 /nfs/dbraw/zinc/17/16/56/387171656.db2.gz GXLZORAYXDWHBA-UHFFFAOYSA-N 0 0 229.092 3.856 10 0 BHAERN CC(C)[C@@H]1CC[C@]2(c3ccccc3)O[C@@H]2C1 ZINC000536957965 323969504 /nfs/dbraw/zinc/96/95/04/323969504.db2.gz FPCVHBVIEGQGNI-BPLDGKMQSA-N 0 0 216.324 3.737 10 0 BHAERN CC(C)[C@@H]1CC[C@@]2(c3ccccc3)O[C@H]2C1 ZINC000536957994 323969260 /nfs/dbraw/zinc/96/92/60/323969260.db2.gz FPCVHBVIEGQGNI-SNPRPXQTSA-N 0 0 216.324 3.737 10 0 BHAERN CCS(=O)(CC)=Nc1cccc(Cl)c1C ZINC000536958067 323969694 /nfs/dbraw/zinc/96/96/94/323969694.db2.gz UFKLEXYIZVYNBI-UHFFFAOYSA-N 0 0 245.775 3.788 10 0 BHAERN Cc1[nH]nc(C2CCCCC2)c1C(F)(F)F ZINC000536958534 398199077 /nfs/dbraw/zinc/19/90/77/398199077.db2.gz GRDCTCSFSAWRQY-UHFFFAOYSA-N 0 0 232.249 3.785 10 0 BHAERN Cc1[nH]nc(-c2ccc(F)cc2)c1C(F)(F)F ZINC000536959479 323971981 /nfs/dbraw/zinc/97/19/81/323971981.db2.gz KRUGMTHLNIMGBA-UHFFFAOYSA-N 0 0 244.191 3.543 10 0 BHAERN Cc1nccc2cccc(C(F)(F)F)c12 ZINC000536959602 323972006 /nfs/dbraw/zinc/97/20/06/323972006.db2.gz LJAYUKHYHNADFL-UHFFFAOYSA-N 0 0 211.186 3.562 10 0 BHAERN CCC(C)(C)[C@@H]1CC[C@@]2(c3cccn3C)O[C@H]2C1 ZINC000536959610 323971972 /nfs/dbraw/zinc/97/19/72/323971972.db2.gz LJGMZFZENNDXLA-INWMFGNUSA-N 0 0 247.382 3.856 10 0 BHAERN CCC(C)(C)[C@@H]1CC[C@]2(c3cccn3C)O[C@@H]2C1 ZINC000536959617 411265773 /nfs/dbraw/zinc/26/57/73/411265773.db2.gz LJGMZFZENNDXLA-XNRPHZJLSA-N 0 0 247.382 3.856 10 0 BHAERN Cc1[nH]nc(-c2cccc(F)c2)c1C(F)(F)F ZINC000536960496 360014300 /nfs/dbraw/zinc/01/43/00/360014300.db2.gz QQYMBGZXDWZZHX-UHFFFAOYSA-N 0 0 244.191 3.543 10 0 BHAERN Cc1[nH]nc(-c2cccc(C)c2)c1C(F)(F)F ZINC000536960953 398200135 /nfs/dbraw/zinc/20/01/35/398200135.db2.gz WIDFLKIAWOIKLZ-UHFFFAOYSA-N 0 0 240.228 3.712 10 0 BHAERN Cc1cccnc1NCc1ccnc2ccccc12 ZINC000562372679 323018575 /nfs/dbraw/zinc/01/85/75/323018575.db2.gz IJXNQLRZHGAYQF-UHFFFAOYSA-N 0 0 249.317 3.550 10 0 BHAERN FC(F)(F)CCNc1cccc2ccncc21 ZINC000570236636 323053981 /nfs/dbraw/zinc/05/39/81/323053981.db2.gz GYIKNPKRFBBKGN-UHFFFAOYSA-N 0 0 240.228 3.599 10 0 BHAERN O[C@@H]1CCCC[C@H]1Nc1cccc(C2CCC2)c1 ZINC000573138228 326431915 /nfs/dbraw/zinc/43/19/15/326431915.db2.gz HHHUXLFCIWXXNX-HZPDHXFCSA-N 0 0 245.366 3.670 10 0 BHAERN c1cc2ccc1ccc1ccc(cc1)cc2 ZINC000575050866 346439055 /nfs/dbraw/zinc/43/90/55/346439055.db2.gz VZIMBDSZBWGTDR-UHFFFAOYSA-N 0 0 203.264 3.952 10 0 BHAERN Fc1ccc(F)c(COc2ccccc2F)c1 ZINC000575154580 346438735 /nfs/dbraw/zinc/43/87/35/346438735.db2.gz AWYDHUZRDLFCOF-UHFFFAOYSA-N 0 0 237.200 3.592 10 0 BHAERN Clc1ccc(OCc2ccccc2)cc1 ZINC000575154585 346438217 /nfs/dbraw/zinc/43/82/17/346438217.db2.gz AZAMTJBZYDHHKM-UHFFFAOYSA-N 0 0 217.675 3.574 10 0 BHAERN CCCCCOc1cccc(OC(F)(F)F)c1 ZINC000575154598 346438488 /nfs/dbraw/zinc/43/84/88/346438488.db2.gz BNZQGTSFARWPHF-UHFFFAOYSA-N 0 0 247.236 3.870 10 0 BHAERN Cc1ccc(COc2ccccc2F)cc1 ZINC000575154612 346438376 /nfs/dbraw/zinc/43/83/76/346438376.db2.gz BSCXTONFIRLJMK-UHFFFAOYSA-N 0 0 215.247 3.622 10 0 BHAERN Fc1cccc(COc2ccc(Cl)cc2)c1 ZINC000575154625 346438516 /nfs/dbraw/zinc/43/85/16/346438516.db2.gz CLVVIOMTMRQYGO-UHFFFAOYSA-N 0 0 235.665 3.722 10 0 BHAERN Clc1ccc(OCc2ccccc2)cc1 ZINC000575154628 346438174 /nfs/dbraw/zinc/43/81/74/346438174.db2.gz COWLIYILDNIAQW-UHFFFAOYSA-N 0 0 217.675 3.583 10 0 BHAERN CC(C)Oc1ccccc1OCc1ccccc1 ZINC000575154643 346438495 /nfs/dbraw/zinc/43/84/95/346438495.db2.gz CUMFUSUWEJZJJC-UHFFFAOYSA-N 0 0 241.310 3.708 10 0 BHAERN Fc1ccc(COc2ccc(Cl)cc2)cc1 ZINC000575154671 346438480 /nfs/dbraw/zinc/43/84/80/346438480.db2.gz DQNIOYLVZCUFJD-UHFFFAOYSA-N 0 0 235.665 3.722 10 0 BHAERN Cc1cccc(OCc2ccc(F)cc2F)c1 ZINC000575154694 346436696 /nfs/dbraw/zinc/43/66/96/346436696.db2.gz FACKWWVJAWEDFZ-UHFFFAOYSA-N 0 0 233.237 3.685 10 0 BHAERN Cc1cccc(OCc2cc(F)cc(F)c2)c1 ZINC000575154734 346436972 /nfs/dbraw/zinc/43/69/72/346436972.db2.gz HKTYMZGHCYRBME-UHFFFAOYSA-N 0 0 233.237 3.685 10 0 BHAERN Cc1ccccc1COc1ccccc1F ZINC000575154783 346436630 /nfs/dbraw/zinc/43/66/30/346436630.db2.gz JIHJMIWUGVHJFI-UHFFFAOYSA-N 0 0 215.247 3.622 10 0 BHAERN Fc1ccccc1COc1ccc(Cl)cc1 ZINC000575154791 346436915 /nfs/dbraw/zinc/43/69/15/346436915.db2.gz JTTAIOLCTVBGTL-UHFFFAOYSA-N 0 0 235.665 3.722 10 0 BHAERN Cc1cccc(OCc2cccc(F)c2)c1 ZINC000575154792 346436998 /nfs/dbraw/zinc/43/69/98/346436998.db2.gz JUVSSXJQYWJBSK-UHFFFAOYSA-N 0 0 215.247 3.545 10 0 BHAERN Clc1cccc(COc2ccccc2)c1 ZINC000575154808 346436747 /nfs/dbraw/zinc/43/67/47/346436747.db2.gz KKUSCTPMGOWUAR-UHFFFAOYSA-N 0 0 217.675 3.670 10 0 BHAERN Cc1cccc(OCc2cc(F)ccc2F)c1 ZINC000575154829 346436903 /nfs/dbraw/zinc/43/69/03/346436903.db2.gz LNETWRAAPZWPNV-UHFFFAOYSA-N 0 0 233.237 3.685 10 0 BHAERN Fc1ccc(COc2ccccc2F)c(F)c1 ZINC000575154847 346437044 /nfs/dbraw/zinc/43/70/44/346437044.db2.gz MIIGRNOTAUAPIT-UHFFFAOYSA-N 0 0 237.200 3.592 10 0 BHAERN Fc1ccc(COc2ccccc2F)cc1F ZINC000575154862 346436766 /nfs/dbraw/zinc/43/67/66/346436766.db2.gz NCRGDIJEYLZPEA-UHFFFAOYSA-N 0 0 237.200 3.592 10 0 BHAERN Clc1ccccc1COc1ccccc1 ZINC000575154869 346436575 /nfs/dbraw/zinc/43/65/75/346436575.db2.gz NMIKLIDZAKXBRT-UHFFFAOYSA-N 0 0 217.675 3.670 10 0 BHAERN Fc1ccccc1OCc1cccc(Cl)c1 ZINC000575154891 346437074 /nfs/dbraw/zinc/43/70/74/346437074.db2.gz OKSILNKKIGQEDG-UHFFFAOYSA-N 0 0 235.665 3.967 10 0 BHAERN Clc1ccc(COc2ccccc2)cc1 ZINC000575154902 346436940 /nfs/dbraw/zinc/43/69/40/346436940.db2.gz PCQBWLPFFQNZKO-UHFFFAOYSA-N 0 0 217.675 3.670 10 0 BHAERN Cc1ccc(OCc2ccccc2)cc1C ZINC000575154924 346436897 /nfs/dbraw/zinc/43/68/97/346436897.db2.gz CLONFMHUOYIDKQ-UHFFFAOYSA-N 0 0 211.284 3.538 10 0 BHAERN Cc1ccc(OCc2ccccc2)c(C)c1 ZINC000575154925 346436753 /nfs/dbraw/zinc/43/67/53/346436753.db2.gz GGDFLCFOFHIJDQ-UHFFFAOYSA-N 0 0 211.284 3.538 10 0 BHAERN Cc1ccc(C)c(OCc2ccccc2)c1 ZINC000575154926 346436467 /nfs/dbraw/zinc/43/64/67/346436467.db2.gz IABXXGOWGZELPQ-UHFFFAOYSA-N 0 0 211.284 3.538 10 0 BHAERN Cc1cccc(OCc2ccccc2)c1C ZINC000575154930 346437054 /nfs/dbraw/zinc/43/70/54/346437054.db2.gz RLPZZNOCVPUFDN-UHFFFAOYSA-N 0 0 211.284 3.538 10 0 BHAERN Cc1cc(C)cc(OCc2ccccc2)c1 ZINC000575154932 346436639 /nfs/dbraw/zinc/43/66/39/346436639.db2.gz XOPAPQKZKMRKKL-UHFFFAOYSA-N 0 0 211.284 3.538 10 0 BHAERN Fc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000575154936 346437057 /nfs/dbraw/zinc/43/70/57/346437057.db2.gz QJNNXWMWAUYESX-UHFFFAOYSA-N 0 0 235.665 3.713 10 0 BHAERN Cc1cccc(OCc2ccc(F)c(F)c2)c1 ZINC000575154941 346436691 /nfs/dbraw/zinc/43/66/91/346436691.db2.gz RBUFGSSTFKLAHI-UHFFFAOYSA-N 0 0 233.237 3.685 10 0 BHAERN Clc1cccc(OCc2ccccc2)c1 ZINC000575154945 346437738 /nfs/dbraw/zinc/43/77/38/346437738.db2.gz RQOIJFXTZCNGDV-UHFFFAOYSA-N 0 0 217.675 3.574 10 0 BHAERN Fc1ccccc1OCc1ccc(Cl)cc1 ZINC000575154954 346437749 /nfs/dbraw/zinc/43/77/49/346437749.db2.gz SBEAVCJLTBEGML-UHFFFAOYSA-N 0 0 235.665 3.967 10 0 BHAERN Clc1ccccc1OCc1ccccc1 ZINC000575154960 346437273 /nfs/dbraw/zinc/43/72/73/346437273.db2.gz SLRFGCUHEAMCHJ-UHFFFAOYSA-N 0 0 217.675 3.574 10 0 BHAERN Cc1cccc(COc2ccccc2F)c1 ZINC000575154970 346437402 /nfs/dbraw/zinc/43/74/02/346437402.db2.gz TWDYBEWZOFQJEH-UHFFFAOYSA-N 0 0 215.247 3.622 10 0 BHAERN Fc1ccc(OCc2ccccc2)cc1Cl ZINC000575154972 346437920 /nfs/dbraw/zinc/43/79/20/346437920.db2.gz TZDPCGMYRMPLQE-UHFFFAOYSA-N 0 0 235.665 3.713 10 0 BHAERN Fc1ccc(COc2ccccc2)c(Cl)c1 ZINC000575154974 346437876 /nfs/dbraw/zinc/43/78/76/346437876.db2.gz UCSKFWPJGRVZNN-UHFFFAOYSA-N 0 0 235.665 3.809 10 0 BHAERN Fc1cc(F)cc(COc2ccccc2F)c1 ZINC000575154981 346437758 /nfs/dbraw/zinc/43/77/58/346437758.db2.gz UZOXQJWSXFWQEP-UHFFFAOYSA-N 0 0 237.200 3.592 10 0 BHAERN Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000575154984 346437932 /nfs/dbraw/zinc/43/79/32/346437932.db2.gz VFKNXYWQUHLNAF-UHFFFAOYSA-N 0 0 215.247 3.545 10 0 BHAERN Cc1cccc(OCc2ccccc2F)c1 ZINC000575155015 346437881 /nfs/dbraw/zinc/43/78/81/346437881.db2.gz XPJIMFUABNRPEV-UHFFFAOYSA-N 0 0 215.247 3.545 10 0 BHAERN Fc1ccccc1OCc1ccccc1Cl ZINC000575155017 346437293 /nfs/dbraw/zinc/43/72/93/346437293.db2.gz XYTHYZUWJRFSCR-UHFFFAOYSA-N 0 0 235.665 3.967 10 0 BHAERN COc1ccc(-c2nccc3ccccc32)cc1 ZINC000575179022 386956005 /nfs/dbraw/zinc/95/60/05/386956005.db2.gz HLNPOVUBTWVWPK-UHFFFAOYSA-N 0 0 234.278 3.521 10 0 BHAERN Fc1ccc(-c2ccc(C(F)(F)F)cn2)cc1 ZINC000575179026 386956973 /nfs/dbraw/zinc/95/69/73/386956973.db2.gz LMKZCZJNOPCGQC-UHFFFAOYSA-N 0 0 240.179 3.710 10 0 BHAERN Fc1ccc(-c2nccc3ccccc32)cc1 ZINC000575179033 386956690 /nfs/dbraw/zinc/95/66/90/386956690.db2.gz PMDXIUTWWSTVIF-UHFFFAOYSA-N 0 0 222.242 3.845 10 0 BHAERN Fc1cccc(F)c1OC1CCCCC1 ZINC000575191096 386981415 /nfs/dbraw/zinc/98/14/15/386981415.db2.gz ACWNEIYYRHMYHK-UHFFFAOYSA-N 0 0 211.231 3.743 10 0 BHAERN Fc1c(Cl)cccc1OCc1ccccc1 ZINC000575191100 386981045 /nfs/dbraw/zinc/98/10/45/386981045.db2.gz AIUUQEHHHRVJPB-UHFFFAOYSA-N 0 0 235.665 3.713 10 0 BHAERN CCCCCCOc1ccc(F)cc1F ZINC000575191111 386981411 /nfs/dbraw/zinc/98/14/11/386981411.db2.gz BSSNBNRWEYKKAN-UHFFFAOYSA-N 0 0 213.247 3.991 10 0 BHAERN CCCCCCOc1ccccc1Cl ZINC000575191112 386980623 /nfs/dbraw/zinc/98/06/23/386980623.db2.gz BZICVHWNCAESDU-UHFFFAOYSA-N 0 0 211.712 3.963 10 0 BHAERN CCCCCCOCc1cccc(F)c1 ZINC000575191115 388471007 /nfs/dbraw/zinc/47/10/07/388471007.db2.gz CECCZKXLGSJNBL-UHFFFAOYSA-N 0 0 209.284 3.736 10 0 BHAERN Fc1ccccc1OC1CCCCCC1 ZINC000575191127 386980915 /nfs/dbraw/zinc/98/09/15/386980915.db2.gz DSCQFQHGJHSZKC-UHFFFAOYSA-N 0 0 207.268 3.836 10 0 BHAERN Fc1cccc(Cl)c1OCc1ccccc1 ZINC000575191132 386981352 /nfs/dbraw/zinc/98/13/52/386981352.db2.gz FYZZUFROQGORBS-UHFFFAOYSA-N 0 0 235.665 3.713 10 0 BHAERN Clc1ccc(OC2CCCCC2)cc1 ZINC000575191136 386979861 /nfs/dbraw/zinc/97/98/61/386979861.db2.gz GGJKVBOUERICSD-UHFFFAOYSA-N 0 0 209.696 3.715 10 0 BHAERN Fc1cccc(COCC2CCCCC2)c1 ZINC000575191138 386299713 /nfs/dbraw/zinc/29/97/13/386299713.db2.gz GHBMXDIVKOVNHP-UHFFFAOYSA-N 0 0 221.295 3.736 10 0 BHAERN Fc1cccc(OCc2ccccc2)c1F ZINC000575191139 386981182 /nfs/dbraw/zinc/98/11/82/386981182.db2.gz GHNAKYVSLQTLML-UHFFFAOYSA-N 0 0 219.210 3.611 10 0 BHAERN FC(F)(F)Oc1ccc(-c2ccccc2)cc1 ZINC000575191143 386979774 /nfs/dbraw/zinc/97/97/74/386979774.db2.gz GOQWSNZLXHPBFU-UHFFFAOYSA-N 0 0 237.200 3.898 10 0 BHAERN Fc1cccc(OC2CCCCC2)c1F ZINC000575191147 386980991 /nfs/dbraw/zinc/98/09/91/386980991.db2.gz GWQJBYQMGZRCEH-UHFFFAOYSA-N 0 0 211.231 3.743 10 0 BHAERN Fc1cc(OCc2ccccc2)ccc1Cl ZINC000575191154 386979614 /nfs/dbraw/zinc/97/96/14/386979614.db2.gz HLLYSEAZMSTXDU-UHFFFAOYSA-N 0 0 235.665 3.713 10 0 BHAERN FC(F)(F)Oc1cccc(-c2ccccc2)c1 ZINC000575191176 386979740 /nfs/dbraw/zinc/97/97/40/386979740.db2.gz LDCBXZLVMMFBFZ-UHFFFAOYSA-N 0 0 237.200 3.898 10 0 BHAERN Fc1cc(Cl)ccc1OCc1ccccc1 ZINC000575191189 386981270 /nfs/dbraw/zinc/98/12/70/386981270.db2.gz MORMOCGNKOEKGN-UHFFFAOYSA-N 0 0 235.665 3.713 10 0 BHAERN CCCCCCOc1cccc(F)c1F ZINC000575191196 386979818 /nfs/dbraw/zinc/97/98/18/386979818.db2.gz NEZGZUJFAZEXJM-UHFFFAOYSA-N 0 0 213.247 3.991 10 0 BHAERN Cc1cc(C)cc(OC2CCCCC2)c1 ZINC000575191197 386981209 /nfs/dbraw/zinc/98/12/09/386981209.db2.gz NUNFJRQFOIANOH-UHFFFAOYSA-N 0 0 203.305 3.929 10 0 BHAERN CCCCCCOc1c(F)cccc1F ZINC000575191205 386980145 /nfs/dbraw/zinc/98/01/45/386980145.db2.gz PGUBSJSLAQPXIS-UHFFFAOYSA-N 0 0 213.247 3.991 10 0 BHAERN Fc1cccc(Cl)c1COc1ccccc1 ZINC000575191220 386304140 /nfs/dbraw/zinc/30/41/40/386304140.db2.gz ROPSONFXNUXVDZ-UHFFFAOYSA-N 0 0 235.665 3.809 10 0 BHAERN Fc1ccc(OCc2ccccc2)c(F)c1 ZINC000575191221 386977419 /nfs/dbraw/zinc/97/74/19/386977419.db2.gz RPEYNMSQPYZTET-UHFFFAOYSA-N 0 0 219.210 3.611 10 0 BHAERN Clc1ccccc1OC1CCCCC1 ZINC000575191232 386977621 /nfs/dbraw/zinc/97/76/21/386977621.db2.gz SUEXQSHXXIKYEM-UHFFFAOYSA-N 0 0 209.696 3.715 10 0 BHAERN Fc1ccc(Cl)c(OCc2ccccc2)c1 ZINC000575191240 386977709 /nfs/dbraw/zinc/97/77/09/386977709.db2.gz UBZIXZLHVHOUMH-UHFFFAOYSA-N 0 0 235.665 3.713 10 0 BHAERN Fc1cc(COc2ccccc2)ccc1Cl ZINC000575191241 386977965 /nfs/dbraw/zinc/97/79/65/386977965.db2.gz UCJGDUXOCAGDCW-UHFFFAOYSA-N 0 0 235.665 3.809 10 0 BHAERN CC(C)Oc1cccc(-c2ccccc2)c1 ZINC000575191246 386978325 /nfs/dbraw/zinc/97/83/25/386978325.db2.gz UJCJMINPTLWULJ-UHFFFAOYSA-N 0 0 211.284 3.786 10 0 BHAERN Fc1cccc(F)c1OCc1ccccc1 ZINC000575191261 386977580 /nfs/dbraw/zinc/97/75/80/386977580.db2.gz VXBMYRNTJKRWMB-UHFFFAOYSA-N 0 0 219.210 3.611 10 0 BHAERN Fc1ccccc1COCC1CCCCC1 ZINC000575191264 386978633 /nfs/dbraw/zinc/97/86/33/386978633.db2.gz VZFFMMVSMYLODN-UHFFFAOYSA-N 0 0 221.295 3.736 10 0 BHAERN CCCCCCOCc1ccccc1F ZINC000575191273 386978443 /nfs/dbraw/zinc/97/84/43/386978443.db2.gz WRVGSVDEMIVKRK-UHFFFAOYSA-N 0 0 209.284 3.736 10 0 BHAERN Fc1ccc(COc2ccccc2)cc1Cl ZINC000575191278 386978159 /nfs/dbraw/zinc/97/81/59/386978159.db2.gz XSSQUIWZRZCVIX-UHFFFAOYSA-N 0 0 235.665 3.809 10 0 BHAERN Cc1cccc(C)c1OC1CCCCC1 ZINC000575191290 386978666 /nfs/dbraw/zinc/97/86/66/386978666.db2.gz ZPZKHMVPHHIASC-UHFFFAOYSA-N 0 0 203.305 3.929 10 0 BHAERN Cc1cccc(OC2CCCCCC2)c1 ZINC000575191319 386977440 /nfs/dbraw/zinc/97/74/40/386977440.db2.gz PRUJSJJHIBQNGA-UHFFFAOYSA-N 0 0 203.305 3.929 10 0 BHAERN Fc1ccc(OC2CCCCC2)c(F)c1 ZINC000575191336 386977273 /nfs/dbraw/zinc/97/72/73/386977273.db2.gz WHDVFHWGSVWDMR-UHFFFAOYSA-N 0 0 211.231 3.743 10 0 BHAERN COc1ccc2ccccc2c1C(=O)C(C)C ZINC000575242616 398303299 /nfs/dbraw/zinc/30/32/99/398303299.db2.gz AZXKBFMUMHEVMB-UHFFFAOYSA-N 0 0 228.291 3.687 10 0 BHAERN CCN(CC)c1ccc(C(=O)CC(C)C)cc1 ZINC000575242697 398303323 /nfs/dbraw/zinc/30/33/23/398303323.db2.gz HAWYRPAPCHBFNC-UHFFFAOYSA-N 0 0 233.355 3.762 10 0 BHAERN COc1ccc(C(=O)C(C)C)cc1C(F)(F)F ZINC000575242754 386418551 /nfs/dbraw/zinc/41/85/51/386418551.db2.gz GWQHQPXMPDLYNI-UHFFFAOYSA-N 0 0 246.228 3.553 10 0 BHAERN COc1ccc(C(F)(F)F)cc1C(=O)C(C)C ZINC000575242790 386419048 /nfs/dbraw/zinc/41/90/48/386419048.db2.gz HYVCQGODCHLLHV-UHFFFAOYSA-N 0 0 246.228 3.553 10 0 BHAERN CCCC(=O)c1ccc(OC)c(C(F)(F)F)c1 ZINC000575242811 386420613 /nfs/dbraw/zinc/42/06/13/386420613.db2.gz IZIOFERYMNNLSO-UHFFFAOYSA-N 0 0 246.228 3.697 10 0 BHAERN O=C(c1ccccc1-c1ccccc1)C(F)F ZINC000575242856 386420654 /nfs/dbraw/zinc/42/06/54/386420654.db2.gz PTXUHOWMVISYQT-UHFFFAOYSA-N 0 0 232.229 3.801 10 0 BHAERN Cc1cccc(C)c1C(=O)COc1ccccc1 ZINC000575242914 386421628 /nfs/dbraw/zinc/42/16/28/386421628.db2.gz XKGIRYNOZNSNEX-UHFFFAOYSA-N 0 0 240.302 3.565 10 0 BHAERN COc1ccc(O)c(-c2csc(C(C)C)n2)c1 ZINC000575327266 386676455 /nfs/dbraw/zinc/67/64/55/386676455.db2.gz OQULHJPWEQGYFZ-UHFFFAOYSA-N 0 0 249.335 3.648 10 0 BHAERN CCOC(=O)Cc1c(Cl)ccc2ccccc21 ZINC000575339265 386686791 /nfs/dbraw/zinc/68/67/91/386686791.db2.gz BOMJKGNMLRUEKI-UHFFFAOYSA-N 0 0 248.709 3.599 10 0 BHAERN CCOC(=O)Cc1cc2ccccc2cc1Cl ZINC000575339275 386684649 /nfs/dbraw/zinc/68/46/49/386684649.db2.gz KKEPNSBKEUGEFJ-UHFFFAOYSA-N 0 0 248.709 3.599 10 0 BHAERN CCOC(=O)Cc1ccc2ccccc2c1Cl ZINC000575339281 386684761 /nfs/dbraw/zinc/68/47/61/386684761.db2.gz OXNXCHGQOIIOKJ-UHFFFAOYSA-N 0 0 248.709 3.599 10 0 BHAERN CCOC(=O)Cc1cccc2ccc(Cl)cc21 ZINC000575339285 386685632 /nfs/dbraw/zinc/68/56/32/386685632.db2.gz RBOPKGXBXVLHJV-UHFFFAOYSA-N 0 0 248.709 3.599 10 0 BHAERN CCOC(=O)Cc1cc(Cl)c2ccccc2c1 ZINC000575339287 388749273 /nfs/dbraw/zinc/74/92/73/388749273.db2.gz XBAVZCWWJQPHRJ-UHFFFAOYSA-N 0 0 248.709 3.599 10 0 BHAERN COc1cc2ccccc2c(OC(F)(F)F)c1 ZINC000575339290 386685490 /nfs/dbraw/zinc/68/54/90/386685490.db2.gz AHLNESJBUGYUNJ-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1cccc2cccc(OC(F)(F)F)c21 ZINC000575339291 388749577 /nfs/dbraw/zinc/74/95/77/388749577.db2.gz AMJXEQDOXQIALH-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1cc(OC(F)(F)F)cc2ccccc21 ZINC000575339292 388748661 /nfs/dbraw/zinc/74/86/61/388748661.db2.gz AMNHWUBIFPRLNY-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1cccc2c(OC(F)(F)F)cccc12 ZINC000575339293 386686840 /nfs/dbraw/zinc/68/68/40/386686840.db2.gz DVMDGTIDWOFATL-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1ccc2cc(OC(F)(F)F)ccc2c1 ZINC000575339294 386684935 /nfs/dbraw/zinc/68/49/35/386684935.db2.gz GYHHDLBOTSUAFP-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1ccc(OC(F)(F)F)c2ccccc12 ZINC000575339295 386685823 /nfs/dbraw/zinc/68/58/23/386685823.db2.gz GYZUCGLSMMOXHP-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1cccc2cc(OC(F)(F)F)ccc21 ZINC000575339296 388748719 /nfs/dbraw/zinc/74/87/19/388748719.db2.gz HSIWBYLCWSDQJE-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1ccc2cccc(OC(F)(F)F)c2c1 ZINC000575339297 388749143 /nfs/dbraw/zinc/74/91/43/388749143.db2.gz IMCGVOLVBPXACS-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1ccc2c(cccc2OC(F)(F)F)c1 ZINC000575339298 388749164 /nfs/dbraw/zinc/74/91/64/388749164.db2.gz MQJOTHHGIBTKTA-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1ccc2ccc(OC(F)(F)F)cc2c1 ZINC000575339299 386684599 /nfs/dbraw/zinc/68/45/99/386684599.db2.gz MUIKXVIKWDUZEA-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1cc2ccccc2cc1OC(F)(F)F ZINC000575339301 388748733 /nfs/dbraw/zinc/74/87/33/388748733.db2.gz RXTAFRWGCFUXCB-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1cccc2ccc(OC(F)(F)F)cc21 ZINC000575339302 386684686 /nfs/dbraw/zinc/68/46/86/386684686.db2.gz XWKFZVTYVYWXLW-UHFFFAOYSA-N 0 0 242.196 3.747 10 0 BHAERN COc1cc(F)ccc1C(=O)C1CCCCC1 ZINC000575357440 386729251 /nfs/dbraw/zinc/72/92/51/386729251.db2.gz KGKODDJCAOFVAQ-UHFFFAOYSA-N 0 0 236.286 3.597 10 0 BHAERN CC(C)c1cccc(C(=O)C(F)(F)C(F)F)c1 ZINC000575357584 386732421 /nfs/dbraw/zinc/73/24/21/386732421.db2.gz RRUQVOLMRGKDSW-UHFFFAOYSA-N 0 0 248.219 3.893 10 0 BHAERN COc1c(F)cc(F)cc1C(=O)CC(C)(C)C ZINC000575358003 386732758 /nfs/dbraw/zinc/73/27/58/386732758.db2.gz AHUNGCIVQWMSKE-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN COc1cc(F)c(F)cc1C(=O)CC(C)(C)C ZINC000575358034 386733578 /nfs/dbraw/zinc/73/35/78/386733578.db2.gz DGJGXFRMNPXPKV-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(F)c(F)cc1OC ZINC000575358057 386735779 /nfs/dbraw/zinc/73/57/79/386735779.db2.gz GYUNPTOQEVJOEP-MRVPVSSYSA-N 0 0 242.265 3.592 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(F)c(F)cc1OC ZINC000575358058 386734205 /nfs/dbraw/zinc/73/42/05/386734205.db2.gz GYUNPTOQEVJOEP-QMMMGPOBSA-N 0 0 242.265 3.592 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(F)cc(F)c1OC ZINC000575358069 386735480 /nfs/dbraw/zinc/73/54/80/386735480.db2.gz HVAMYWWXQGXXNT-MRVPVSSYSA-N 0 0 242.265 3.592 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(F)cc(F)c1OC ZINC000575358070 386734944 /nfs/dbraw/zinc/73/49/44/386734944.db2.gz HVAMYWWXQGXXNT-QMMMGPOBSA-N 0 0 242.265 3.592 10 0 BHAERN CCC(C)(C)C(=O)c1cc(F)c(F)c(OC)c1 ZINC000575358082 386733547 /nfs/dbraw/zinc/73/35/47/386733547.db2.gz IJJBBAAPZDFGCL-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CCC(CC)C(=O)c1cc(F)cc(F)c1OC ZINC000575358095 386734305 /nfs/dbraw/zinc/73/43/05/386734305.db2.gz JLQCUIJNQLPMJM-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CC[C@@H](C)C(=O)c1ccc(N(CC)CC)cc1 ZINC000575358098 386735305 /nfs/dbraw/zinc/73/53/05/386735305.db2.gz JQWPQCGVKNCZFX-GFCCVEGCSA-N 0 0 233.355 3.762 10 0 BHAERN CC[C@H](C)C(=O)c1ccc(N(CC)CC)cc1 ZINC000575358099 386734923 /nfs/dbraw/zinc/73/49/23/386734923.db2.gz JQWPQCGVKNCZFX-LBPRGKRZSA-N 0 0 233.355 3.762 10 0 BHAERN CN(C)c1ccccc1C(=O)C1CCCCC1 ZINC000575358117 386734477 /nfs/dbraw/zinc/73/44/77/386734477.db2.gz CSLUFYCOITWENP-UHFFFAOYSA-N 0 0 231.339 3.516 10 0 BHAERN CCC(CC)C(=O)c1cc(F)c(F)cc1OC ZINC000575358164 388862839 /nfs/dbraw/zinc/86/28/39/388862839.db2.gz LZHBFFZTRUDSAS-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(F)c(F)c(OC)c1 ZINC000575358276 386735356 /nfs/dbraw/zinc/73/53/56/386735356.db2.gz PLLNCCZUDOWBAG-MRVPVSSYSA-N 0 0 242.265 3.592 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(F)c(F)c(OC)c1 ZINC000575358277 386734602 /nfs/dbraw/zinc/73/46/02/386734602.db2.gz PLLNCCZUDOWBAG-QMMMGPOBSA-N 0 0 242.265 3.592 10 0 BHAERN CCC(C)(C)C(=O)c1cc(F)c(F)cc1OC ZINC000575358279 386733531 /nfs/dbraw/zinc/73/35/31/386733531.db2.gz PQXMWFXVCZTRKR-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CCC(C)(C)C(=O)c1cc(F)cc(F)c1OC ZINC000575358307 386753095 /nfs/dbraw/zinc/75/30/95/386753095.db2.gz REHYCUKFOYORMB-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CN(C)c1ccccc1C(=O)CCC1CCCC1 ZINC000575358329 386738259 /nfs/dbraw/zinc/73/82/59/386738259.db2.gz VDRUPEKZSSPSBT-UHFFFAOYSA-N 0 0 245.366 3.906 10 0 BHAERN CCN(CC)c1ccc(C(=O)C2CCC2)cc1 ZINC000575358331 386737522 /nfs/dbraw/zinc/73/75/22/386737522.db2.gz RXZOBXZQZQESEE-UHFFFAOYSA-N 0 0 231.339 3.516 10 0 BHAERN CCCC[C@@H](CC)C(=O)c1ccc2c(c1)OCO2 ZINC000575358416 386737300 /nfs/dbraw/zinc/73/73/00/386737300.db2.gz MJLMFOGQOXWRIA-LLVKDONJSA-N 0 0 248.322 3.814 10 0 BHAERN CCCC[C@H](CC)C(=O)c1ccc2c(c1)OCO2 ZINC000575358419 386738058 /nfs/dbraw/zinc/73/80/58/386738058.db2.gz MJLMFOGQOXWRIA-NSHDSACASA-N 0 0 248.322 3.814 10 0 BHAERN COc1cc(C(=O)CC(C)(C)C)cc(F)c1F ZINC000575358434 386737563 /nfs/dbraw/zinc/73/75/63/386737563.db2.gz UYCBEYWGJQSQIZ-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CCN(CC)c1ccc(C(=O)C2CCCC2)cc1 ZINC000575358453 386737452 /nfs/dbraw/zinc/73/74/52/386737452.db2.gz WUIUFBBDLGHZGM-UHFFFAOYSA-N 0 0 245.366 3.906 10 0 BHAERN CCC(CC)C(=O)c1cc(F)c(F)c(OC)c1 ZINC000575358464 386737233 /nfs/dbraw/zinc/73/72/33/386737233.db2.gz YRNVVZHSLDKUIC-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CCCC(CCC)C(=O)c1ccc2c(c1)OCO2 ZINC000575358571 386755253 /nfs/dbraw/zinc/75/52/53/386755253.db2.gz SDXGUFGJFFDKBY-UHFFFAOYSA-N 0 0 248.322 3.814 10 0 BHAERN COc1ccc2ccccc2c1C(=O)C1CCC1 ZINC000575358606 386755139 /nfs/dbraw/zinc/75/51/39/386755139.db2.gz VXEAQJOKZUBDFW-UHFFFAOYSA-N 0 0 240.302 3.831 10 0 BHAERN CSc1cccc(C(=O)Cc2ccccc2)c1 ZINC000575358642 386756881 /nfs/dbraw/zinc/75/68/81/386756881.db2.gz KGIKSJXOMGSUPN-UHFFFAOYSA-N 0 0 242.343 3.834 10 0 BHAERN COc1c(F)cccc1C(=O)C1CCCCC1 ZINC000575359086 386758171 /nfs/dbraw/zinc/75/81/71/386758171.db2.gz PVYBTPWXHYQMDQ-UHFFFAOYSA-N 0 0 236.286 3.597 10 0 BHAERN Cc1c(C(=O)C2CCC2)cccc1C(F)(F)F ZINC000575360142 386760731 /nfs/dbraw/zinc/76/07/31/386760731.db2.gz FKMAXNZOZPHZHI-UHFFFAOYSA-N 0 0 242.240 3.997 10 0 BHAERN CC(C)(C)CC(=O)c1ccc(OC(F)F)cc1 ZINC000575360518 386763640 /nfs/dbraw/zinc/76/36/40/386763640.db2.gz FLOUAEUJUHBBIO-UHFFFAOYSA-N 0 0 242.265 3.907 10 0 BHAERN CCC(C)(C)C(=O)c1ccccc1OC(F)F ZINC000575360592 386762561 /nfs/dbraw/zinc/76/25/61/386762561.db2.gz JKMDYIGSUURLKP-UHFFFAOYSA-N 0 0 242.265 3.907 10 0 BHAERN CCC(C)(C)C(=O)c1ccc(OC(F)F)cc1 ZINC000575360721 386763132 /nfs/dbraw/zinc/76/31/32/386763132.db2.gz HKEBEERPROZLNZ-UHFFFAOYSA-N 0 0 242.265 3.907 10 0 BHAERN O=C(c1cccc(F)c1C(F)(F)F)C1CCC1 ZINC000575360752 386763320 /nfs/dbraw/zinc/76/33/20/386763320.db2.gz MBFCVYOUMVQHNQ-UHFFFAOYSA-N 0 0 246.203 3.827 10 0 BHAERN CC(C)(C)CC(=O)c1ccccc1OC(F)F ZINC000575360868 398128975 /nfs/dbraw/zinc/12/89/75/398128975.db2.gz NWVVNWDUYLUSTJ-UHFFFAOYSA-N 0 0 242.265 3.907 10 0 BHAERN CC(C)(C)CC(=O)c1cccc(OC(F)F)c1 ZINC000575360913 386762754 /nfs/dbraw/zinc/76/27/54/386762754.db2.gz OQLABMVIJCCCHY-UHFFFAOYSA-N 0 0 242.265 3.907 10 0 BHAERN CCC(C)(C)C(=O)c1cccc(OC(F)F)c1 ZINC000575361178 388879518 /nfs/dbraw/zinc/87/95/18/388879518.db2.gz SSLKDYOUELDFAX-UHFFFAOYSA-N 0 0 242.265 3.907 10 0 BHAERN O=C(c1cc(F)cc(C(F)(F)F)c1)C1CCC1 ZINC000575361218 386763208 /nfs/dbraw/zinc/76/32/08/386763208.db2.gz TUAWXEBQTNKZOB-UHFFFAOYSA-N 0 0 246.203 3.827 10 0 BHAERN CCC[C@@H](C)C(=O)c1cc(F)c(OC)cc1F ZINC000575361761 386762861 /nfs/dbraw/zinc/76/28/61/386762861.db2.gz FSJXBTOSQYHEIO-MRVPVSSYSA-N 0 0 242.265 3.592 10 0 BHAERN CCC[C@H](C)C(=O)c1cc(F)c(OC)cc1F ZINC000575361762 386763024 /nfs/dbraw/zinc/76/30/24/386763024.db2.gz FSJXBTOSQYHEIO-QMMMGPOBSA-N 0 0 242.265 3.592 10 0 BHAERN CCC(C)(C)C(=O)c1cc(F)c(OC)cc1F ZINC000575361777 386763172 /nfs/dbraw/zinc/76/31/72/386763172.db2.gz HKDWEVGYRHARPU-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CCC(CC)C(=O)c1cc(F)c(OC)cc1F ZINC000575361871 386766031 /nfs/dbraw/zinc/76/60/31/386766031.db2.gz PYDFZUXGHAQELH-UHFFFAOYSA-N 0 0 242.265 3.592 10 0 BHAERN CCn1c2ccsc2c2sccc21 ZINC000575419606 387027789 /nfs/dbraw/zinc/02/77/89/387027789.db2.gz AFPXBKNFOHERJF-UHFFFAOYSA-N 0 0 207.323 3.937 10 0 BHAERN Clc1cnc2cccc(-c3ccccc3)n12 ZINC000575432094 387057176 /nfs/dbraw/zinc/05/71/76/387057176.db2.gz DQFGMQAGYQRLDZ-UHFFFAOYSA-N 0 0 228.682 3.655 10 0 BHAERN Clc1cnc2ccc(-c3ccccc3)cn12 ZINC000575432108 387054957 /nfs/dbraw/zinc/05/49/57/387054957.db2.gz GDOSGSHWXWLASD-UHFFFAOYSA-N 0 0 228.682 3.655 10 0 BHAERN CC(C)(C)OC(=O)c1cc2ccc(F)cc2o1 ZINC000575432228 487677846 /nfs/dbraw/zinc/67/78/46/487677846.db2.gz SLHJTTQPIMEPFV-UHFFFAOYSA-N 0 0 236.242 3.527 10 0 BHAERN CCC(=O)c1cc(Cl)c(Cl)s1 ZINC000575433669 398327899 /nfs/dbraw/zinc/32/78/99/398327899.db2.gz BDGLVEJTFIHRSU-UHFFFAOYSA-N 0 0 209.097 3.648 10 0 BHAERN CCC(F)(CC)c1cncc(Br)c1 ZINC000575433861 398327876 /nfs/dbraw/zinc/32/78/76/398327876.db2.gz QFOQOQSSFRXIIB-UHFFFAOYSA-N 0 0 246.123 3.829 10 0 BHAERN CCC(F)(CC)c1ccc(Br)nc1 ZINC000575433913 398327730 /nfs/dbraw/zinc/32/77/30/398327730.db2.gz VOJRTQFVBHIZRY-UHFFFAOYSA-N 0 0 246.123 3.829 10 0 BHAERN FC1(c2cccnc2Cl)CCCCC1 ZINC000575433954 398327699 /nfs/dbraw/zinc/32/76/99/398327699.db2.gz ZSQIFPAIGBRYDB-UHFFFAOYSA-N 0 0 213.683 3.864 10 0 BHAERN COc1c(Cl)ccc2c(Cl)ccnc21 ZINC000575434333 387057725 /nfs/dbraw/zinc/05/77/25/387057725.db2.gz OAYJKZZIDJJFQT-UHFFFAOYSA-N 0 0 228.078 3.550 10 0 BHAERN CCOC(=O)c1c[nH]c2ccc(C(C)(C)C)cc21 ZINC000575436311 387099711 /nfs/dbraw/zinc/09/97/11/387099711.db2.gz FIAGXEJDBWGCGX-UHFFFAOYSA-N 0 0 245.322 3.642 10 0 BHAERN CC(C)C[C@@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575438858 387119637 /nfs/dbraw/zinc/11/96/37/387119637.db2.gz DFLKATVFOBEWDM-SNVBAGLBSA-N 0 0 248.153 3.745 10 0 BHAERN CC(C)C[C@H]([NH3+])c1cc(Cl)c([O-])c(Cl)c1 ZINC000575439523 387123209 /nfs/dbraw/zinc/12/32/09/387123209.db2.gz DFLKATVFOBEWDM-JTQLQIEISA-N 0 0 248.153 3.745 10 0 BHAERN Cc1c[nH]c2cc(Cl)c(Cl)cc12 ZINC000575441032 387137611 /nfs/dbraw/zinc/13/76/11/387137611.db2.gz NWHMBJJANTYLDU-UHFFFAOYSA-N 0 0 200.068 3.783 10 0 BHAERN C=Cc1ccnc2ccc(Br)cc12 ZINC000575441820 387138643 /nfs/dbraw/zinc/13/86/43/387138643.db2.gz CRHCEMVJGSKSNW-UHFFFAOYSA-N 0 0 234.096 3.640 10 0 BHAERN CC(=O)c1cc(Br)c2ccccc2c1 ZINC000575442192 398328493 /nfs/dbraw/zinc/32/84/93/398328493.db2.gz PUDXASGNVDFROW-UHFFFAOYSA-N 0 0 249.107 3.805 10 0 BHAERN CCOC(=O)[C@H](C)Cc1ccc2ccccc2c1 ZINC000575448333 386700740 /nfs/dbraw/zinc/70/07/40/386700740.db2.gz WSXOFEVCLYGFEY-GFCCVEGCSA-N 0 0 242.318 3.582 10 0 BHAERN CCOC(=O)[C@@H](C)Cc1ccc2ccccc2c1 ZINC000575448335 386701063 /nfs/dbraw/zinc/70/10/63/386701063.db2.gz WSXOFEVCLYGFEY-LBPRGKRZSA-N 0 0 242.318 3.582 10 0 BHAERN O[C@H](/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000575448821 386757592 /nfs/dbraw/zinc/75/75/92/386757592.db2.gz GIKZSWDQBDLKST-KUCQQTCKSA-N 0 0 228.266 3.573 10 0 BHAERN O[C@@H](/C=C/c1ccc(F)cc1)c1ccccc1 ZINC000575448824 386756702 /nfs/dbraw/zinc/75/67/02/386756702.db2.gz GIKZSWDQBDLKST-SHQCLWGWSA-N 0 0 228.266 3.573 10 0 BHAERN Nc1cccc(-c2ccsc2)c1Cl ZINC000575456639 388788111 /nfs/dbraw/zinc/78/81/11/388788111.db2.gz QZUBTJNESCJDMS-UHFFFAOYSA-N 0 0 209.701 3.651 10 0 BHAERN CCNc1cc(Cl)c(Br)cc1C ZINC000575459778 387037726 /nfs/dbraw/zinc/03/77/26/387037726.db2.gz VMSLHPDONVOXTK-UHFFFAOYSA-N 0 0 248.551 3.843 10 0 BHAERN Cc1c(Cl)cncc1NCc1ccccc1 ZINC000575466218 387064783 /nfs/dbraw/zinc/06/47/83/387064783.db2.gz ZCTIZVYHWLKIET-UHFFFAOYSA-N 0 0 232.714 3.656 10 0 BHAERN Brc1cc(-c2ccc[nH]2)cs1 ZINC000575466433 388837324 /nfs/dbraw/zinc/83/73/24/388837324.db2.gz CIBDFZBLJXQKMX-UHFFFAOYSA-N 0 0 228.114 3.506 10 0 BHAERN Oc1ccc(NCc2ccccc2)c(Cl)c1 ZINC000575468579 387076435 /nfs/dbraw/zinc/07/64/35/387076435.db2.gz GZHKQAVFLNWENB-UHFFFAOYSA-N 0 0 233.698 3.658 10 0 BHAERN Nc1cc(Br)cc(C2=CCCC2)c1 ZINC000575471527 387108737 /nfs/dbraw/zinc/10/87/37/387108737.db2.gz KGVLPZUNWJCVDG-UHFFFAOYSA-N 0 0 238.128 3.599 10 0 BHAERN O=C1CCC(c2sccc2Cl)CC1 ZINC000575475399 387165348 /nfs/dbraw/zinc/16/53/48/387165348.db2.gz HOFXFLAOVQRNHI-UHFFFAOYSA-N 0 0 214.717 3.628 10 0 BHAERN CC(C)(C)OC(=O)N[C@@H]1CCC12CCCCC2 ZINC000575477495 387160023 /nfs/dbraw/zinc/16/00/23/387160023.db2.gz JFMQYDMJNJAXFF-LLVKDONJSA-N 0 0 239.359 3.624 10 0 BHAERN CC(C)(C)OC(=O)N[C@H]1CCC12CCCCC2 ZINC000575477496 387159930 /nfs/dbraw/zinc/15/99/30/387159930.db2.gz JFMQYDMJNJAXFF-NSHDSACASA-N 0 0 239.359 3.624 10 0 BHAERN CC[C@@H](C)Nc1cccc(F)c1Cl ZINC000575478281 387160653 /nfs/dbraw/zinc/16/06/53/387160653.db2.gz ZYMRNRYLUQVBMD-SSDOTTSWSA-N 0 0 201.672 3.690 10 0 BHAERN CC[C@H](C)Nc1cccc(F)c1Cl ZINC000575478282 387160471 /nfs/dbraw/zinc/16/04/71/387160471.db2.gz ZYMRNRYLUQVBMD-ZETCQYMHSA-N 0 0 201.672 3.690 10 0 BHAERN Cc1c(Cl)cc(NCCF)cc1Cl ZINC000575478479 388860390 /nfs/dbraw/zinc/86/03/90/388860390.db2.gz AHCQKTCLFBYSJR-UHFFFAOYSA-N 0 0 222.090 3.683 10 0 BHAERN Cc1c(Cl)cc(NC2CC2)cc1Cl ZINC000575479136 387158490 /nfs/dbraw/zinc/15/84/90/387158490.db2.gz FJPFUYIUWJHGGU-UHFFFAOYSA-N 0 0 216.111 3.876 10 0 BHAERN Cc1cccc(Br)c1NCC(C)C ZINC000575479385 387176612 /nfs/dbraw/zinc/17/66/12/387176612.db2.gz FXWHZYADGVWDIM-UHFFFAOYSA-N 0 0 242.160 3.825 10 0 BHAERN C/C=C/CNc1c(C)cccc1Br ZINC000575479956 388861937 /nfs/dbraw/zinc/86/19/37/388861937.db2.gz JEQFJWZEUFNRJI-ONEGZZNKSA-N 0 0 240.144 3.746 10 0 BHAERN CCCNc1cccc(Br)c1Cl ZINC000575479973 388861362 /nfs/dbraw/zinc/86/13/62/388861362.db2.gz JLUUJWLGKSMZSN-UHFFFAOYSA-N 0 0 248.551 3.924 10 0 BHAERN CCNc1cc(Cl)c(C)c(Cl)c1 ZINC000575479981 387166982 /nfs/dbraw/zinc/16/69/82/387166982.db2.gz JNTIDOLDCMIQHY-UHFFFAOYSA-N 0 0 204.100 3.734 10 0 BHAERN Cc1cccc(Br)c1NC1CCC1 ZINC000575480746 398022847 /nfs/dbraw/zinc/02/28/47/398022847.db2.gz ODROGJCASQOBMH-UHFFFAOYSA-N 0 0 240.144 3.722 10 0 BHAERN Cc1cccc(Br)c1NCC1CC1 ZINC000575481248 387174541 /nfs/dbraw/zinc/17/45/41/387174541.db2.gz QNXGRSAKVGNLFT-UHFFFAOYSA-N 0 0 240.144 3.579 10 0 BHAERN CC[C@@H](C)Nc1c(C)cccc1Br ZINC000575481399 387167623 /nfs/dbraw/zinc/16/76/23/387167623.db2.gz RWOICYGDSVWRFT-SECBINFHSA-N 0 0 242.160 3.968 10 0 BHAERN CC[C@H](C)Nc1c(C)cccc1Br ZINC000575481404 387186162 /nfs/dbraw/zinc/18/61/62/387186162.db2.gz RWOICYGDSVWRFT-VIFPVBQESA-N 0 0 242.160 3.968 10 0 BHAERN CCCNc1c(C)cccc1Br ZINC000575481500 387188115 /nfs/dbraw/zinc/18/81/15/387188115.db2.gz STXSGIJZMCXGBT-UHFFFAOYSA-N 0 0 228.133 3.579 10 0 BHAERN Clc1sccc1NCC1CC=CC1 ZINC000575483658 387192329 /nfs/dbraw/zinc/19/23/29/387192329.db2.gz QOJZSVWCRLATNN-UHFFFAOYSA-N 0 0 213.733 3.780 10 0 BHAERN CC(C)C(C)(C)Nc1nc(Cl)cs1 ZINC000575485826 387244992 /nfs/dbraw/zinc/24/49/92/387244992.db2.gz CZVQJWTWDCJKAI-UHFFFAOYSA-N 0 0 218.753 3.643 10 0 BHAERN CC1CC(C(=O)c2sccc2Cl)C1 ZINC000575486259 387253177 /nfs/dbraw/zinc/25/31/77/387253177.db2.gz HJLCGDZMRWZJBA-UHFFFAOYSA-N 0 0 214.717 3.630 10 0 BHAERN CC1CC(C(=O)c2ccc(Cl)s2)C1 ZINC000575487045 387255237 /nfs/dbraw/zinc/25/52/37/387255237.db2.gz OCEQQIBFMFDIGK-UHFFFAOYSA-N 0 0 214.717 3.630 10 0 BHAERN CC1CC(C(=O)c2ccsc2Cl)C1 ZINC000575490267 387263987 /nfs/dbraw/zinc/26/39/87/387263987.db2.gz BMAJMTBSGOIMHZ-UHFFFAOYSA-N 0 0 214.717 3.630 10 0 BHAERN CCCNc1ccc(Br)c(F)c1C ZINC000575493858 388951486 /nfs/dbraw/zinc/95/14/86/388951486.db2.gz VFOOINRUVXVOSN-UHFFFAOYSA-N 0 0 246.123 3.719 10 0 BHAERN CC(C)Sc1c(N)cccc1Br ZINC000575494351 387278362 /nfs/dbraw/zinc/27/83/62/387278362.db2.gz YFOXPDMFTJAPGH-UHFFFAOYSA-N 0 0 246.173 3.532 10 0 BHAERN Cc1c(F)c(Br)ccc1NC(C)C ZINC000575494502 387278392 /nfs/dbraw/zinc/27/83/92/387278392.db2.gz ZTRZHPNZNYSIQH-UHFFFAOYSA-N 0 0 246.123 3.717 10 0 BHAERN C[C@H](Nc1ccsc1Cl)C1(Cl)CC1 ZINC000575498087 388989561 /nfs/dbraw/zinc/98/95/61/388989561.db2.gz RJATZMUXOCTMTD-LURJTMIESA-N 0 0 236.167 3.973 10 0 BHAERN C[C@@H](Nc1ccsc1Cl)C1(Cl)CC1 ZINC000575498088 387329290 /nfs/dbraw/zinc/32/92/90/387329290.db2.gz RJATZMUXOCTMTD-ZCFIWIBFSA-N 0 0 236.167 3.973 10 0 BHAERN CC(C)(C)C(=O)c1ccsc1Br ZINC000575500214 398104788 /nfs/dbraw/zinc/10/47/88/398104788.db2.gz JPEWIZIBRYUNFE-UHFFFAOYSA-N 0 0 247.157 3.739 10 0 BHAERN CC(C)(C)OC(=O)N[C@@H]1CCCC(C)(C)CC1 ZINC000575518152 398181878 /nfs/dbraw/zinc/18/18/78/398181878.db2.gz MMLWSFUZZAUBTH-LLVKDONJSA-N 0 0 241.375 3.870 10 0 BHAERN CC(C)(C)OC(=O)N[C@H]1CCCC(C)(C)CC1 ZINC000575518154 387436187 /nfs/dbraw/zinc/43/61/87/387436187.db2.gz MMLWSFUZZAUBTH-NSHDSACASA-N 0 0 241.375 3.870 10 0 BHAERN Fc1c(Br)cccc1NC1CCC1 ZINC000575523238 387444462 /nfs/dbraw/zinc/44/44/62/387444462.db2.gz HOXVPGDSVTXAOR-UHFFFAOYSA-N 0 0 244.107 3.553 10 0 BHAERN C[C@H]1CCNc2c(F)c(Br)ccc21 ZINC000575524060 387460686 /nfs/dbraw/zinc/46/06/86/387460686.db2.gz QMQSJFZABMIGDK-LURJTMIESA-N 0 0 244.107 3.507 10 0 BHAERN C[C@@H]1CCNc2c(F)c(Br)ccc21 ZINC000575524061 388359012 /nfs/dbraw/zinc/35/90/12/388359012.db2.gz QMQSJFZABMIGDK-ZCFIWIBFSA-N 0 0 244.107 3.507 10 0 BHAERN CC(C)CNc1cccc(Br)c1F ZINC000575524089 388358961 /nfs/dbraw/zinc/35/89/61/388358961.db2.gz QXMYFTVEFBZZGU-UHFFFAOYSA-N 0 0 246.123 3.656 10 0 BHAERN CC[C@@H](C)Nc1cccc(Br)c1F ZINC000575524103 387460357 /nfs/dbraw/zinc/46/03/57/387460357.db2.gz RNUHWEZHBGJMDR-SSDOTTSWSA-N 0 0 246.123 3.799 10 0 BHAERN CC[C@H](C)Nc1cccc(Br)c1F ZINC000575524105 388359025 /nfs/dbraw/zinc/35/90/25/388359025.db2.gz RNUHWEZHBGJMDR-ZETCQYMHSA-N 0 0 246.123 3.799 10 0 BHAERN C/C=C/CNc1cccc(Br)c1F ZINC000575524406 387459726 /nfs/dbraw/zinc/45/97/26/387459726.db2.gz UFERPNZZQVCEGW-NSCUHMNNSA-N 0 0 244.107 3.576 10 0 BHAERN CC(C)C(=O)c1cc2cscc2s1 ZINC000575532802 385890283 /nfs/dbraw/zinc/89/02/83/385890283.db2.gz CGLMUEUQTOLHFX-UHFFFAOYSA-N 0 0 210.323 3.802 10 0 BHAERN Cc1c(N)c(Cl)sc1C1CCCC1 ZINC000575534802 385898242 /nfs/dbraw/zinc/89/82/42/385898242.db2.gz YSSVFWLUASSYLT-UHFFFAOYSA-N 0 0 215.749 3.950 10 0 BHAERN O=C(c1cc2cscc2s1)C1CC1 ZINC000575535431 387574399 /nfs/dbraw/zinc/57/43/99/387574399.db2.gz YUSUMGLNAULEJX-UHFFFAOYSA-N 0 0 208.307 3.556 10 0 BHAERN CC(C)(C)c1ccnc(NCc2ccccc2)c1 ZINC000575537804 387580201 /nfs/dbraw/zinc/58/02/01/387580201.db2.gz LFVKVOOQZFTFBI-UHFFFAOYSA-N 0 0 240.350 3.991 10 0 BHAERN Clc1sccc1NC[C@H]1CC12CC2 ZINC000575538172 387581017 /nfs/dbraw/zinc/58/10/17/387581017.db2.gz LCEATXQRBDWEDD-SSDOTTSWSA-N 0 0 213.733 3.614 10 0 BHAERN Clc1sccc1NC[C@@H]1CC12CC2 ZINC000575538173 387582084 /nfs/dbraw/zinc/58/20/84/387582084.db2.gz LCEATXQRBDWEDD-ZETCQYMHSA-N 0 0 213.733 3.614 10 0 BHAERN Cc1cc(Cl)cc(N)c1OCc1ccccc1 ZINC000575544029 387591681 /nfs/dbraw/zinc/59/16/81/387591681.db2.gz SSBQIJOOPQYLOS-UHFFFAOYSA-N 0 0 247.725 3.810 10 0 BHAERN C[C@@H]1C[C@]1(C)C(=O)c1ccsc1Cl ZINC000575568597 386107087 /nfs/dbraw/zinc/10/70/87/386107087.db2.gz FTQQOHVQLPUCFG-LDWIPMOCSA-N 0 0 214.717 3.630 10 0 BHAERN C[C@@H]1C[C@@]1(C)C(=O)c1ccsc1Cl ZINC000575568598 387729964 /nfs/dbraw/zinc/72/99/64/387729964.db2.gz FTQQOHVQLPUCFG-LHLIQPBNSA-N 0 0 214.717 3.630 10 0 BHAERN C[C@H]1C[C@@]1(C)C(=O)c1ccsc1Cl ZINC000575568601 387730009 /nfs/dbraw/zinc/73/00/09/387730009.db2.gz FTQQOHVQLPUCFG-QUBYGPBYSA-N 0 0 214.717 3.630 10 0 BHAERN C[C@H]1C[C@]1(C)C(=O)c1ccsc1Cl ZINC000575568604 387730424 /nfs/dbraw/zinc/73/04/24/387730424.db2.gz FTQQOHVQLPUCFG-WKEGUHRASA-N 0 0 214.717 3.630 10 0 BHAERN C[C@@H]1C[C@]1(C)C(=O)c1ccc(Cl)s1 ZINC000575575139 386978962 /nfs/dbraw/zinc/97/89/62/386978962.db2.gz DEMYYIWUPOBETK-LDWIPMOCSA-N 0 0 214.717 3.630 10 0 BHAERN C[C@@H]1C[C@@]1(C)C(=O)c1ccc(Cl)s1 ZINC000575575140 386989490 /nfs/dbraw/zinc/98/94/90/386989490.db2.gz DEMYYIWUPOBETK-LHLIQPBNSA-N 0 0 214.717 3.630 10 0 BHAERN C[C@H]1C[C@@]1(C)C(=O)c1ccc(Cl)s1 ZINC000575575141 386988076 /nfs/dbraw/zinc/98/80/76/386988076.db2.gz DEMYYIWUPOBETK-QUBYGPBYSA-N 0 0 214.717 3.630 10 0 BHAERN C[C@H]1C[C@]1(C)C(=O)c1ccc(Cl)s1 ZINC000575575142 386990054 /nfs/dbraw/zinc/99/00/54/386990054.db2.gz DEMYYIWUPOBETK-WKEGUHRASA-N 0 0 214.717 3.630 10 0 BHAERN CC1(C)C[C@@H]1CNc1ccsc1Cl ZINC000575575853 386185482 /nfs/dbraw/zinc/18/54/82/386185482.db2.gz FSRASVCHQBGRRN-SSDOTTSWSA-N 0 0 215.749 3.860 10 0 BHAERN CC1(C)C[C@H]1CNc1ccsc1Cl ZINC000575575859 387005708 /nfs/dbraw/zinc/00/57/08/387005708.db2.gz FSRASVCHQBGRRN-ZETCQYMHSA-N 0 0 215.749 3.860 10 0 BHAERN C[C@@H]1C[C@]1(C)C(=O)c1sccc1Cl ZINC000575576292 387022205 /nfs/dbraw/zinc/02/22/05/387022205.db2.gz LOTLOVJAIKRJDN-LDWIPMOCSA-N 0 0 214.717 3.630 10 0 BHAERN C[C@@H]1C[C@@]1(C)C(=O)c1sccc1Cl ZINC000575576293 387021970 /nfs/dbraw/zinc/02/19/70/387021970.db2.gz LOTLOVJAIKRJDN-LHLIQPBNSA-N 0 0 214.717 3.630 10 0 BHAERN C[C@H]1C[C@@]1(C)C(=O)c1sccc1Cl ZINC000575576296 386193336 /nfs/dbraw/zinc/19/33/36/386193336.db2.gz LOTLOVJAIKRJDN-QUBYGPBYSA-N 0 0 214.717 3.630 10 0 BHAERN C[C@H]1C[C@]1(C)C(=O)c1sccc1Cl ZINC000575576302 387024180 /nfs/dbraw/zinc/02/41/80/387024180.db2.gz LOTLOVJAIKRJDN-WKEGUHRASA-N 0 0 214.717 3.630 10 0 BHAERN O=C1CCC(c2ccsc2Cl)CC1 ZINC000575578013 386204119 /nfs/dbraw/zinc/20/41/19/386204119.db2.gz UIVMQIKBAMGGGE-UHFFFAOYSA-N 0 0 214.717 3.628 10 0 BHAERN CC1(C)C(c2csc(=S)[nH]2)C1(C)C ZINC000575585693 387142574 /nfs/dbraw/zinc/14/25/74/387142574.db2.gz KQDDKOFXFJZVBC-UHFFFAOYSA-N 0 0 213.371 3.581 10 0 BHAERN CC1(C)C(c2coc(Br)n2)C1(C)C ZINC000575596573 398009194 /nfs/dbraw/zinc/00/91/94/398009194.db2.gz 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CCOc1cc(OCC)c(C(F)F)cc1CC ZINC000575651238 387888216 /nfs/dbraw/zinc/88/82/16/387888216.db2.gz SOUAYGZPSZDIGG-UHFFFAOYSA-N 0 0 244.281 3.984 10 0 BHAERN CCc1c(OC(F)F)ccc(C(C)=O)c1CC ZINC000575651297 387887800 /nfs/dbraw/zinc/88/78/00/387887800.db2.gz UESDUGXQGRGHGR-UHFFFAOYSA-N 0 0 242.265 3.615 10 0 BHAERN CCOc1cc(CC)c(C(F)F)cc1OCC ZINC000575651300 387888072 /nfs/dbraw/zinc/88/80/72/387888072.db2.gz UFFUVDVVPXSKLB-UHFFFAOYSA-N 0 0 244.281 3.984 10 0 BHAERN CCOc1c(CC)cc(CC)cc1OC(F)F ZINC000575651703 384084407 /nfs/dbraw/zinc/08/44/07/384084407.db2.gz AGHOCJNTAABXDS-UHFFFAOYSA-N 0 0 244.281 3.812 10 0 BHAERN CCc1cc(OC(F)(F)F)c(CC)cc1C#N ZINC000575651706 387898580 /nfs/dbraw/zinc/89/85/80/387898580.db2.gz AHFAPMJINSVGPN-UHFFFAOYSA-N 0 0 243.228 3.582 10 0 BHAERN CCc1cc(C#N)cc(C(F)(F)F)c1CC ZINC000575651709 387898690 /nfs/dbraw/zinc/89/86/90/387898690.db2.gz AMVSMAABEPRKFC-UHFFFAOYSA-N 0 0 227.229 3.702 10 0 BHAERN CCc1cc(C#N)c(C(F)F)c(CC)c1 ZINC000575651723 387899102 /nfs/dbraw/zinc/89/91/02/387899102.db2.gz AUVFASKLHKCQEW-UHFFFAOYSA-N 0 0 209.239 3.621 10 0 BHAERN CCc1ccc(CC)c(OC(F)F)c1F ZINC000575651726 387899840 /nfs/dbraw/zinc/89/98/40/387899840.db2.gz AXPNTYXMDXRHOV-UHFFFAOYSA-N 0 0 218.218 3.552 10 0 BHAERN CCc1cc(OC(F)F)cc(CC)c1F ZINC000575651730 384080305 /nfs/dbraw/zinc/08/03/05/384080305.db2.gz AYXGMUWYYGFIEN-UHFFFAOYSA-N 0 0 218.218 3.552 10 0 BHAERN CCc1cc(C=O)c(C(F)F)c(CC)c1 ZINC000575651761 387899588 /nfs/dbraw/zinc/89/95/88/387899588.db2.gz BKOODKGFGDLSJI-UHFFFAOYSA-N 0 0 212.239 3.562 10 0 BHAERN CCOc1ccc(CC)c(CC)c1OC(F)F ZINC000575651770 387898663 /nfs/dbraw/zinc/89/86/63/387898663.db2.gz BNFSYEVOERXZQW-UHFFFAOYSA-N 0 0 244.281 3.812 10 0 BHAERN CCc1cc(C)cc(OC(F)F)c1CC ZINC000575651788 384081407 /nfs/dbraw/zinc/08/14/07/384081407.db2.gz BQJGHNIWFBFCKV-UHFFFAOYSA-N 0 0 214.255 3.721 10 0 BHAERN CCc1cc(CC)c(OC(F)F)cc1C ZINC000575651789 384082011 /nfs/dbraw/zinc/08/20/11/384082011.db2.gz BSCVOXZSSBWADQ-UHFFFAOYSA-N 0 0 214.255 3.721 10 0 BHAERN CCc1ccc(C(F)(F)F)c(CC)c1C#N ZINC000575651791 387898731 /nfs/dbraw/zinc/89/87/31/387898731.db2.gz BUMLNOZBZZFQIT-UHFFFAOYSA-N 0 0 227.229 3.702 10 0 BHAERN CCc1cc(C#N)c(C(F)F)cc1CC ZINC000575651798 387898926 /nfs/dbraw/zinc/89/89/26/387898926.db2.gz BWVJTXRHOAWEQG-UHFFFAOYSA-N 0 0 209.239 3.621 10 0 BHAERN CCc1cc(OC(F)F)c(CC)cc1C ZINC000575651802 387899040 /nfs/dbraw/zinc/89/90/40/387899040.db2.gz CGCLXHJFJQFIEZ-UHFFFAOYSA-N 0 0 214.255 3.721 10 0 BHAERN CCc1cc(C(F)F)cc(CC)c1C=O ZINC000575651810 384081181 /nfs/dbraw/zinc/08/11/81/384081181.db2.gz CHHCBGKLEYAHSH-UHFFFAOYSA-N 0 0 212.239 3.562 10 0 BHAERN CCc1cc(C(F)F)c(CC)cc1C(C)=O ZINC000575651844 384080027 /nfs/dbraw/zinc/08/00/27/384080027.db2.gz CVSQRMALOSDVTA-UHFFFAOYSA-N 0 0 226.266 3.952 10 0 BHAERN CCOc1c(CC)ccc(CC)c1OC(F)F ZINC000575651859 387898728 /nfs/dbraw/zinc/89/87/28/387898728.db2.gz DIKJNPHNNKBAHA-UHFFFAOYSA-N 0 0 244.281 3.812 10 0 BHAERN CCc1cc(CC)c(C#N)c(C(F)(F)F)c1 ZINC000575651861 387899906 /nfs/dbraw/zinc/89/99/06/387899906.db2.gz DLQBQMRYWDJLMI-UHFFFAOYSA-N 0 0 227.229 3.702 10 0 BHAERN CCc1c(C)ccc(OC(F)F)c1CC ZINC000575651862 384081637 /nfs/dbraw/zinc/08/16/37/384081637.db2.gz DMDLCHJARXSUGP-UHFFFAOYSA-N 0 0 214.255 3.721 10 0 BHAERN CCc1cc(C=O)cc(CC)c1C(F)F ZINC000575651864 387899617 /nfs/dbraw/zinc/89/96/17/387899617.db2.gz DQVTUGFWVJAOFD-UHFFFAOYSA-N 0 0 212.239 3.562 10 0 BHAERN CCc1cc(F)c(C(F)F)cc1CC ZINC000575651869 384081620 /nfs/dbraw/zinc/08/16/20/384081620.db2.gz DZSZOSJHEOADTN-UHFFFAOYSA-N 0 0 202.219 3.888 10 0 BHAERN CCc1cc(C#N)c(OC(F)(F)F)cc1CC ZINC000575651871 387899795 /nfs/dbraw/zinc/89/97/95/387899795.db2.gz FBFVIDPXLNTZEN-UHFFFAOYSA-N 0 0 243.228 3.582 10 0 BHAERN CCc1ccc(OC(F)F)c(C)c1CC ZINC000575651878 387898574 /nfs/dbraw/zinc/89/85/74/387898574.db2.gz FKCUNJVTNWIRPU-UHFFFAOYSA-N 0 0 214.255 3.721 10 0 BHAERN CCc1cc(C(F)F)cc(CC)c1C#N ZINC000575651880 384084796 /nfs/dbraw/zinc/08/47/96/384084796.db2.gz FMYZIIXAAIDKKO-UHFFFAOYSA-N 0 0 209.239 3.621 10 0 BHAERN CCc1cc(F)c(OC(F)F)cc1CC ZINC000575651891 387901339 /nfs/dbraw/zinc/90/13/39/387901339.db2.gz GEZKECDMURPXEU-UHFFFAOYSA-N 0 0 218.218 3.552 10 0 BHAERN CCc1cc(C#N)c(C(F)(F)F)c(CC)c1 ZINC000575651892 387901249 /nfs/dbraw/zinc/90/12/49/387901249.db2.gz GFLQMDDXCMUODB-UHFFFAOYSA-N 0 0 227.229 3.702 10 0 BHAERN CCc1cc(CC)c(C#N)c(OC(F)(F)F)c1 ZINC000575651914 387901334 /nfs/dbraw/zinc/90/13/34/387901334.db2.gz GRBQLEUYBJUWHN-UHFFFAOYSA-N 0 0 243.228 3.582 10 0 BHAERN CCc1cc(OC(F)(F)F)cc(CC)c1C#N ZINC000575651920 387901076 /nfs/dbraw/zinc/90/10/76/387901076.db2.gz GWEHIENRSWSTGZ-UHFFFAOYSA-N 0 0 243.228 3.582 10 0 BHAERN CCc1cc(F)cc(CC)c1OC(F)F ZINC000575651928 387901389 /nfs/dbraw/zinc/90/13/89/387901389.db2.gz HFNKGMNLFHECAA-UHFFFAOYSA-N 0 0 218.218 3.552 10 0 BHAERN CCc1cc(C(F)F)cc(F)c1CC ZINC000575651936 387900727 /nfs/dbraw/zinc/90/07/27/387900727.db2.gz HGUAAEMBXIYKOE-UHFFFAOYSA-N 0 0 202.219 3.888 10 0 BHAERN CCc1cc(C(C)=O)c(C(F)F)cc1CC ZINC000575651938 384084883 /nfs/dbraw/zinc/08/48/83/384084883.db2.gz HJFIFNWAFLMLRD-UHFFFAOYSA-N 0 0 226.266 3.952 10 0 BHAERN CCc1c(C#N)ccc(C(F)(F)F)c1CC ZINC000575651943 387901017 /nfs/dbraw/zinc/90/10/17/387901017.db2.gz HMPIBTYPOADWAV-UHFFFAOYSA-N 0 0 227.229 3.702 10 0 BHAERN CCc1cc(C(C)=O)c(CC)c(C(F)F)c1 ZINC000575651944 387900431 /nfs/dbraw/zinc/90/04/31/387900431.db2.gz HMYPCKRVBKWDPV-UHFFFAOYSA-N 0 0 226.266 3.952 10 0 BHAERN CCc1cc(CC)c(OC(F)F)cc1F ZINC000575651953 384084432 /nfs/dbraw/zinc/08/44/32/384084432.db2.gz HPIAPERKKWJKEM-UHFFFAOYSA-N 0 0 218.218 3.552 10 0 BHAERN CCOc1cc(OC(F)F)c(CC)cc1CC ZINC000575651954 387900528 /nfs/dbraw/zinc/90/05/28/387900528.db2.gz HPNYKTKXFQIJRA-UHFFFAOYSA-N 0 0 244.281 3.812 10 0 BHAERN CCc1cc(C=O)c(CC)c(C(F)F)c1 ZINC000575651957 387900767 /nfs/dbraw/zinc/90/07/67/387900767.db2.gz HREATMXGOPLSOL-UHFFFAOYSA-N 0 0 212.239 3.562 10 0 BHAERN CCc1cc(C#N)cc(CC)c1C(F)F ZINC000575651958 387901191 /nfs/dbraw/zinc/90/11/91/387901191.db2.gz HSQILRWZLUTDOU-UHFFFAOYSA-N 0 0 209.239 3.621 10 0 BHAERN CCc1cc(CC)c(C(F)F)cc1C(C)=O ZINC000575651960 384083503 /nfs/dbraw/zinc/08/35/03/384083503.db2.gz HTJIEIPNAOYFLM-UHFFFAOYSA-N 0 0 226.266 3.952 10 0 BHAERN CCc1cc(C(F)F)cc(C(C)=O)c1CC ZINC000575651979 387901502 /nfs/dbraw/zinc/90/15/02/387901502.db2.gz HYEVOXMDQHFROL-UHFFFAOYSA-N 0 0 226.266 3.952 10 0 BHAERN CCc1cc(F)cc(CC)c1C(F)F ZINC000575652002 384082781 /nfs/dbraw/zinc/08/27/81/384082781.db2.gz IDZRURLYBNKUCE-UHFFFAOYSA-N 0 0 202.219 3.888 10 0 BHAERN CCc1ccc(C)c(OC(F)F)c1CC ZINC000575652008 387901159 /nfs/dbraw/zinc/90/11/59/387901159.db2.gz ILXSFNRHEAWZEJ-UHFFFAOYSA-N 0 0 214.255 3.721 10 0 BHAERN CCc1ccc(OC(F)F)c(CC)c1C ZINC000575652018 387901062 /nfs/dbraw/zinc/90/10/62/387901062.db2.gz IRIHSHKGXILNRI-UHFFFAOYSA-N 0 0 214.255 3.721 10 0 BHAERN CCOc1cc(CC)c(OC(F)F)cc1CC ZINC000575652020 384084757 /nfs/dbraw/zinc/08/47/57/384084757.db2.gz IRWBAQFPIPHGPM-UHFFFAOYSA-N 0 0 244.281 3.812 10 0 BHAERN CCc1cc(OC(F)F)cc(F)c1CC ZINC000575652039 387900575 /nfs/dbraw/zinc/90/05/75/387900575.db2.gz JHAHFNPSXARUPV-UHFFFAOYSA-N 0 0 218.218 3.552 10 0 BHAERN CCc1cc(C(F)F)cc(C=O)c1CC ZINC000575652047 387900980 /nfs/dbraw/zinc/90/09/80/387900980.db2.gz JMVYENJMEDQHQY-UHFFFAOYSA-N 0 0 212.239 3.562 10 0 BHAERN CCc1cc(CC)c(C(F)F)cc1C=O ZINC000575652080 384083438 /nfs/dbraw/zinc/08/34/38/384083438.db2.gz KMDDCAKNQVYQJN-UHFFFAOYSA-N 0 0 212.239 3.562 10 0 BHAERN CCc1cc(C=O)cc(C(F)F)c1CC ZINC000575652091 384084855 /nfs/dbraw/zinc/08/48/55/384084855.db2.gz LDPFSKRCVDBFIQ-UHFFFAOYSA-N 0 0 212.239 3.562 10 0 BHAERN Cc1ccc(OC(F)F)c(C)c1C(F)(F)F ZINC000575652102 387901166 /nfs/dbraw/zinc/90/11/66/387901166.db2.gz AKDQBRLPTTZLBR-UHFFFAOYSA-N 0 0 240.171 3.924 10 0 BHAERN Cc1cc(OC(F)F)cc(C(F)(F)F)c1C ZINC000575652123 387900555 /nfs/dbraw/zinc/90/05/55/387900555.db2.gz BGPFSQNVRYOTOV-UHFFFAOYSA-N 0 0 240.171 3.924 10 0 BHAERN CCc1cc(OC(F)F)cc(C)c1CC ZINC000575652124 387901447 /nfs/dbraw/zinc/90/14/47/387901447.db2.gz LFVBMCZDBWINMI-UHFFFAOYSA-N 0 0 214.255 3.721 10 0 BHAERN CCc1ccc(F)c(CC)c1OC(F)F ZINC000575652131 387900925 /nfs/dbraw/zinc/90/09/25/387900925.db2.gz LNIJBHQZUVZWAP-UHFFFAOYSA-N 0 0 218.218 3.552 10 0 BHAERN CCc1ccc(OC(F)F)c(F)c1CC ZINC000575652137 387900722 /nfs/dbraw/zinc/90/07/22/387900722.db2.gz LRTPLTOXLSYRMT-UHFFFAOYSA-N 0 0 218.218 3.552 10 0 BHAERN CCOc1c(OC(F)F)ccc(CC)c1CC ZINC000575652145 384083797 /nfs/dbraw/zinc/08/37/97/384083797.db2.gz LXBUSMAYOFVSQJ-UHFFFAOYSA-N 0 0 244.281 3.812 10 0 BHAERN CCc1cc(F)c(CC)c(C(F)F)c1 ZINC000575652159 387901569 /nfs/dbraw/zinc/90/15/69/387901569.db2.gz MBNYVNBIBWJUEB-UHFFFAOYSA-N 0 0 202.219 3.888 10 0 BHAERN Cc1ccc(C)c(C(F)(F)F)c1OC(F)F ZINC000575652160 387900850 /nfs/dbraw/zinc/90/08/50/387900850.db2.gz BOXJNTUYXTYZKO-UHFFFAOYSA-N 0 0 240.171 3.924 10 0 BHAERN CCOc1cc(CC)cc(OC(F)F)c1CC ZINC000575652179 387901275 /nfs/dbraw/zinc/90/12/75/387901275.db2.gz MGYXKABELOICJC-UHFFFAOYSA-N 0 0 244.281 3.812 10 0 BHAERN Cc1cc(C)c(OC(F)F)c(C(F)F)c1 ZINC000575652182 384085905 /nfs/dbraw/zinc/08/59/05/384085905.db2.gz BWQUXKFGKFROIC-UHFFFAOYSA-N 0 0 222.181 3.842 10 0 BHAERN CCc1cc(C(F)F)cc(CC)c1F ZINC000575652198 384083124 /nfs/dbraw/zinc/08/31/24/384083124.db2.gz NAWLPMIPXHRKNL-UHFFFAOYSA-N 0 0 202.219 3.888 10 0 BHAERN CCc1cc(CC)c(F)c(C(F)F)c1 ZINC000575652243 384086772 /nfs/dbraw/zinc/08/67/72/384086772.db2.gz NQYLXYIPIFTTKH-UHFFFAOYSA-N 0 0 202.219 3.888 10 0 BHAERN CCc1ccc(C)c(CC)c1OC(F)F ZINC000575652245 387900735 /nfs/dbraw/zinc/90/07/35/387900735.db2.gz NSBFNXYPJAGEKV-UHFFFAOYSA-N 0 0 214.255 3.721 10 0 BHAERN CCc1cc(C)c(OC(F)F)c(CC)c1 ZINC000575652246 384086721 /nfs/dbraw/zinc/08/67/21/384086721.db2.gz NTBIVLVBUIIUIE-UHFFFAOYSA-N 0 0 214.255 3.721 10 0 BHAERN CCc1cc(C)c(OC(F)F)cc1CC ZINC000575652274 387901082 /nfs/dbraw/zinc/90/10/82/387901082.db2.gz OHGCSXYZBHPNDO-UHFFFAOYSA-N 0 0 214.255 3.721 10 0 BHAERN CCc1ccc(OC(F)F)c(CC)c1F ZINC000575652287 387900440 /nfs/dbraw/zinc/90/04/40/387900440.db2.gz OQTGTQLHSNNJGN-UHFFFAOYSA-N 0 0 218.218 3.552 10 0 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/nfs/dbraw/zinc/36/70/99/384367099.db2.gz NUOCBFSRRDFZTD-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1cc(CC)c(OC(F)F)cc1C ZINC000575656343 387042397 /nfs/dbraw/zinc/04/23/97/387042397.db2.gz OBYQLBBCFVTORP-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1cc(OC(F)F)cc(CC)c1C ZINC000575656354 387041772 /nfs/dbraw/zinc/04/17/72/387041772.db2.gz OJQKTDQSHGLSMU-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1cc(C)cc(CC)c1OC(F)F ZINC000575656359 387042229 /nfs/dbraw/zinc/04/22/29/387042229.db2.gz OKLGPRSMWQTNCY-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1cc(CC)c(C)cc1OC(F)F ZINC000575656428 384367107 /nfs/dbraw/zinc/36/71/07/384367107.db2.gz PULJFZTUUIVQBT-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1c(CC)cc(C)cc1OC(F)F ZINC000575656516 384369488 /nfs/dbraw/zinc/36/94/88/384369488.db2.gz QLSSHCKHBQDEHR-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1cc(C)c(CC)c(OC(F)F)c1 ZINC000575656598 387042659 /nfs/dbraw/zinc/04/26/59/387042659.db2.gz RAJHKWYLOGXKJU-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1cc(CC)cc(OC(F)F)c1C ZINC000575656701 387041930 /nfs/dbraw/zinc/04/19/30/387041930.db2.gz RUVCDULZDWSMOS-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1cc(OC(F)F)c(C)cc1CC ZINC000575656821 387041730 /nfs/dbraw/zinc/04/17/30/387041730.db2.gz SLJHZKZKDFBXCQ-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1cc(OC(F)F)cc(C)c1CC ZINC000575657244 387044612 /nfs/dbraw/zinc/04/46/12/387044612.db2.gz SPFMPPSQHPFFRX-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1c(C)c(CC)ccc1OC(F)F ZINC000575657320 387043786 /nfs/dbraw/zinc/04/37/86/387043786.db2.gz UMIWOLKXZVUBAO-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1cc(C)cc(OC(F)F)c1CC ZINC000575657455 387046484 /nfs/dbraw/zinc/04/64/84/387046484.db2.gz XAQRYDRYOLPUHU-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1c(C)ccc(OC(F)F)c1CC ZINC000575657653 384386263 /nfs/dbraw/zinc/38/62/63/384386263.db2.gz YJJZMFYLJVMLDO-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN CCOc1cc(C)c(OC(F)F)c(CC)c1 ZINC000575657850 387043879 /nfs/dbraw/zinc/04/38/79/387043879.db2.gz ZUMVLHZIQJCZBY-UHFFFAOYSA-N 0 0 230.254 3.558 10 0 BHAERN Cc1cc(C(F)(F)F)c(OC(F)F)cc1F ZINC000575658061 384388804 /nfs/dbraw/zinc/38/88/04/384388804.db2.gz AMIWRTCLQQARNO-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1ccc(F)c(OC(F)F)c1C(F)(F)F ZINC000575658080 387045764 /nfs/dbraw/zinc/04/57/64/387045764.db2.gz BGHORIHIFRHTAC-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1c(OC(F)F)cc(F)cc1C(F)(F)F ZINC000575658085 387045989 /nfs/dbraw/zinc/04/59/89/387045989.db2.gz BLPNAJSOUMYBCK-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1c(F)c(OC(F)F)ccc1C(F)(F)F ZINC000575658281 384391069 /nfs/dbraw/zinc/39/10/69/384391069.db2.gz FHBFBSCTHSUCRH-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1c(F)ccc(OC(F)F)c1C(F)(F)F ZINC000575658294 387045900 /nfs/dbraw/zinc/04/59/00/387045900.db2.gz FINNMJGJKFBDHW-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1c(OC(F)F)ccc(F)c1C(F)(F)F ZINC000575658702 387049156 /nfs/dbraw/zinc/04/91/56/387049156.db2.gz HUFBAEYMLGXQAJ-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1ccc(OC(F)F)c(C(F)(F)F)c1F ZINC000575658815 387048902 /nfs/dbraw/zinc/04/89/02/387048902.db2.gz ISLGKERUQOZVPR-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1c(OC(F)F)c(F)ccc1C(F)(F)F ZINC000575658841 387047698 /nfs/dbraw/zinc/04/76/98/387047698.db2.gz JEIHBZWXOBECBZ-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(OC(F)F)cc(F)c1C(F)(F)F ZINC000575658900 387047608 /nfs/dbraw/zinc/04/76/08/387047608.db2.gz JTEUIWFJIHZCEF-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1c(F)cc(OC(F)F)cc1C(F)(F)F ZINC000575658923 387047400 /nfs/dbraw/zinc/04/74/00/387047400.db2.gz KBFGJLHFJOHENK-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(F)c(OC(F)F)cc1C(F)(F)F ZINC000575658971 398040414 /nfs/dbraw/zinc/04/04/14/398040414.db2.gz KKXMUBCHIVYDTA-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1c(F)c(C(F)(F)F)ccc1OC(F)F ZINC000575659266 384400538 /nfs/dbraw/zinc/40/05/38/384400538.db2.gz KSHSROXXAHHFMM-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1c(F)ccc(C(F)(F)F)c1OC(F)F ZINC000575659283 387049130 /nfs/dbraw/zinc/04/91/30/387049130.db2.gz LDTUEFHDRFWNMY-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1ccc(C(F)(F)F)c(F)c1OC(F)F ZINC000575659291 387049485 /nfs/dbraw/zinc/04/94/85/387049485.db2.gz LHLUDQACTLYSEP-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(C(F)(F)F)c(F)cc1OC(F)F ZINC000575659384 387045229 /nfs/dbraw/zinc/04/52/29/387045229.db2.gz NKZREIHSVPIYDX-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(C(F)(F)F)cc(F)c1OC(F)F ZINC000575659474 384404031 /nfs/dbraw/zinc/40/40/31/384404031.db2.gz ORUIBWMNRCVNDY-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(OC(F)F)c(F)cc1C(F)(F)F ZINC000575659538 384406908 /nfs/dbraw/zinc/40/69/08/384406908.db2.gz PSYUBGMNQQDDDN-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1c(F)cc(C(F)(F)F)cc1OC(F)F ZINC000575659572 387048026 /nfs/dbraw/zinc/04/80/26/387048026.db2.gz PUFIXXCKJYXCJM-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(OC(F)F)c(C(F)(F)F)cc1F ZINC000575659829 387052547 /nfs/dbraw/zinc/05/25/47/387052547.db2.gz QWGPGYGKNLWHBZ-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(F)c(C(F)(F)F)cc1OC(F)F ZINC000575659837 384406850 /nfs/dbraw/zinc/40/68/50/384406850.db2.gz RGRVYHHIALVKLL-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(F)c(C(F)(F)F)c(OC(F)F)c1 ZINC000575659848 384405052 /nfs/dbraw/zinc/40/50/52/384405052.db2.gz RVZLDWBPIYICRK-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(F)cc(OC(F)F)c1C(F)(F)F ZINC000575659849 387053063 /nfs/dbraw/zinc/05/30/63/387053063.db2.gz RWASQEMTAAFSFP-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1ccc(OC(F)F)c(F)c1C(F)(F)F ZINC000575659867 387052566 /nfs/dbraw/zinc/05/25/66/387052566.db2.gz SRLCJZNRHKIQTK-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(OC(F)F)cc(C(F)(F)F)c1F ZINC000575659876 384406780 /nfs/dbraw/zinc/40/67/80/384406780.db2.gz TUYUMSXEBPIJDL-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(C(F)(F)F)cc(OC(F)F)c1F ZINC000575659913 387052202 /nfs/dbraw/zinc/05/22/02/387052202.db2.gz VOBASMGUUUANCV-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(F)c(OC(F)F)c(C(F)(F)F)c1 ZINC000575659916 387052848 /nfs/dbraw/zinc/05/28/48/387052848.db2.gz VRCUXGOBWYNGAZ-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(OC(F)F)c(F)c(C(F)(F)F)c1 ZINC000575660290 387054513 /nfs/dbraw/zinc/05/45/13/387054513.db2.gz XJMYJXFXQJDEHV-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1ccc(F)c(C(F)(F)F)c1OC(F)F ZINC000575660310 384408748 /nfs/dbraw/zinc/40/87/48/384408748.db2.gz XNWHLCMOJSLBKT-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1ccc(C(F)(F)F)c(OC(F)F)c1F ZINC000575660391 387053775 /nfs/dbraw/zinc/05/37/75/387053775.db2.gz YQNUWEDEOCUSRH-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN Cc1cc(F)cc(C(F)(F)F)c1OC(F)F ZINC000575660441 387054005 /nfs/dbraw/zinc/05/40/05/387054005.db2.gz ZRARPULHUGJEIY-UHFFFAOYSA-N 0 0 244.134 3.754 10 0 BHAERN CCOc1c(CC)cc(C(F)F)cc1C(C)=O ZINC000575664793 387311865 /nfs/dbraw/zinc/31/18/65/387311865.db2.gz AFPKTJTUPBFOJV-UHFFFAOYSA-N 0 0 242.265 3.788 10 0 BHAERN CCOc1cc(CC)c(OC)c(C(F)F)c1 ZINC000575665110 387314131 /nfs/dbraw/zinc/31/41/31/387314131.db2.gz BWHHVGVKUQAWRO-UHFFFAOYSA-N 0 0 230.254 3.594 10 0 BHAERN CCOc1cc(C(F)F)c(OC)cc1CC ZINC000575665269 387313060 /nfs/dbraw/zinc/31/30/60/387313060.db2.gz CXVQQBCMPJIYGU-UHFFFAOYSA-N 0 0 230.254 3.594 10 0 BHAERN CCOc1cc(C(F)F)c(CC)cc1C(C)=O ZINC000575665319 387313635 /nfs/dbraw/zinc/31/36/35/387313635.db2.gz DLHHKIKPPAEGAN-UHFFFAOYSA-N 0 0 242.265 3.788 10 0 BHAERN CCOc1cc(C(F)F)cc(OC)c1CC ZINC000575665386 387313618 /nfs/dbraw/zinc/31/36/18/387313618.db2.gz FDWYFQALPWXUMR-UHFFFAOYSA-N 0 0 230.254 3.594 10 0 BHAERN CCOc1cc(C(C)=O)cc(CC)c1C(F)F ZINC000575665408 387314070 /nfs/dbraw/zinc/31/40/70/387314070.db2.gz FLLUWMGJIMIFTM-UHFFFAOYSA-N 0 0 242.265 3.788 10 0 BHAERN CCOc1cc(CC)c(OC)cc1C(F)F ZINC000575665423 387313656 /nfs/dbraw/zinc/31/36/56/387313656.db2.gz FWWMLKMZDKLOBV-UHFFFAOYSA-N 0 0 230.254 3.594 10 0 BHAERN CCc1cc(C)c(C(F)F)cc1C(C)=O ZINC000575665619 387315004 /nfs/dbraw/zinc/31/50/04/387315004.db2.gz AAEWARXTACMUPI-UHFFFAOYSA-N 0 0 212.239 3.698 10 0 BHAERN CCc1cc(C)cc(C(F)F)c1C(C)=O ZINC000575665622 387315307 /nfs/dbraw/zinc/31/53/07/387315307.db2.gz AAJLTNPMTJWZTG-UHFFFAOYSA-N 0 0 212.239 3.698 10 0 BHAERN CCc1cc(F)cc(C(C)=O)c1C(F)F ZINC000575665665 384432321 /nfs/dbraw/zinc/43/23/21/384432321.db2.gz AMYJGAOXMWZDID-UHFFFAOYSA-N 0 0 216.202 3.528 10 0 BHAERN CCc1cc(F)cc(C(F)F)c1C(C)=O ZINC000575665675 387315166 /nfs/dbraw/zinc/31/51/66/387315166.db2.gz APVUPNITDPRVIT-UHFFFAOYSA-N 0 0 216.202 3.528 10 0 BHAERN CCc1cc(C(C)=O)cc(C(F)F)c1C ZINC000575665794 387314013 /nfs/dbraw/zinc/31/40/13/387314013.db2.gz AZSXBUOWWAEXFP-UHFFFAOYSA-N 0 0 212.239 3.698 10 0 BHAERN CCc1cc(C(C)=O)c(F)cc1C(F)F ZINC000575665797 384432409 /nfs/dbraw/zinc/43/24/09/384432409.db2.gz BCLDSIRZAJVIRS-UHFFFAOYSA-N 0 0 216.202 3.528 10 0 BHAERN CCc1c(C)cc(C(F)F)cc1OC ZINC000575665853 398044531 /nfs/dbraw/zinc/04/45/31/398044531.db2.gz BJPRBPYBHYSIBA-UHFFFAOYSA-N 0 0 200.228 3.504 10 0 BHAERN CCc1cc(C(C)=O)c(C)cc1C(F)F ZINC000575665879 398044489 /nfs/dbraw/zinc/04/44/89/398044489.db2.gz BMDCPNWYVHRXPD-UHFFFAOYSA-N 0 0 212.239 3.698 10 0 BHAERN CCc1cc(C(C)=O)c(C(F)F)cc1C ZINC000575665956 387311877 /nfs/dbraw/zinc/31/18/77/387311877.db2.gz CAXDAQOONZJQKS-UHFFFAOYSA-N 0 0 212.239 3.698 10 0 BHAERN CCc1cc(C)c(C(C)=O)c(C(F)F)c1 ZINC000575665983 387312174 /nfs/dbraw/zinc/31/21/74/387312174.db2.gz CHSPXCMMVHGJMJ-UHFFFAOYSA-N 0 0 212.239 3.698 10 0 BHAERN CCc1cc(C(F)F)c(F)cc1C(C)=O ZINC000575665992 387311804 /nfs/dbraw/zinc/31/18/04/387311804.db2.gz CMODAVJQSFAMLT-UHFFFAOYSA-N 0 0 216.202 3.528 10 0 BHAERN CCc1cc(OC)c(C)c(C(F)F)c1 ZINC000575666002 384436569 /nfs/dbraw/zinc/43/65/69/384436569.db2.gz COZJFLBMAFLZFZ-UHFFFAOYSA-N 0 0 200.228 3.504 10 0 BHAERN CCOc1cc(C(F)F)cc(C(C)=O)c1CC ZINC000575666076 387311071 /nfs/dbraw/zinc/31/10/71/387311071.db2.gz HFWBIBHDUMLWQO-UHFFFAOYSA-N 0 0 242.265 3.788 10 0 BHAERN CCOc1cc(CC)c(C(F)F)cc1OC ZINC000575666085 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ZINC000575675171 387358284 /nfs/dbraw/zinc/35/82/84/387358284.db2.gz DSVVZEHLLNWBSN-UHFFFAOYSA-N 0 0 242.599 3.708 10 0 BHAERN OCc1c(Cl)cc(C(F)F)cc1C(F)F ZINC000575675862 387357511 /nfs/dbraw/zinc/35/75/11/387357511.db2.gz GOYNIRUUHDRITI-UHFFFAOYSA-N 0 0 242.599 3.708 10 0 BHAERN OCc1c(Cl)c(C(F)F)ccc1C(F)F ZINC000575676920 387359427 /nfs/dbraw/zinc/35/94/27/387359427.db2.gz NKWRIEKBUPRGOI-UHFFFAOYSA-N 0 0 242.599 3.708 10 0 BHAERN Oc1cc(C(F)F)cc(Cl)c1C(F)F ZINC000575676931 387359598 /nfs/dbraw/zinc/35/95/98/387359598.db2.gz NXSYOSPZELMAJD-UHFFFAOYSA-N 0 0 228.572 3.921 10 0 BHAERN Oc1cc(Cl)c(C(F)F)cc1C(F)F ZINC000575676952 384483424 /nfs/dbraw/zinc/48/34/24/384483424.db2.gz OACWGQHTIXEMML-UHFFFAOYSA-N 0 0 228.572 3.921 10 0 BHAERN OCc1cc(C(F)F)cc(C(F)F)c1Cl ZINC000575677501 387358122 /nfs/dbraw/zinc/35/81/22/387358122.db2.gz PRIJXYJHJLYJMH-UHFFFAOYSA-N 0 0 242.599 3.708 10 0 BHAERN Oc1cc(C(F)F)c(Cl)cc1C(F)F ZINC000575677531 387358378 /nfs/dbraw/zinc/35/83/78/387358378.db2.gz QGCGCTJDBAXKAC-UHFFFAOYSA-N 0 0 228.572 3.921 10 0 BHAERN OCc1c(C(F)F)cc(Cl)cc1C(F)F ZINC000575677542 387358612 /nfs/dbraw/zinc/35/86/12/387358612.db2.gz QLNIOZQECBVEQC-UHFFFAOYSA-N 0 0 242.599 3.708 10 0 BHAERN OCc1c(C(F)F)ccc(Cl)c1C(F)F ZINC000575677572 384489957 /nfs/dbraw/zinc/48/99/57/384489957.db2.gz RIPWBIMSTVODLQ-UHFFFAOYSA-N 0 0 242.599 3.708 10 0 BHAERN Oc1cc(C(F)F)c(Cl)c(C(F)F)c1 ZINC000575677639 384495111 /nfs/dbraw/zinc/49/51/11/384495111.db2.gz UKFOKEZWASFGDA-UHFFFAOYSA-N 0 0 228.572 3.921 10 0 BHAERN Oc1ccc(C(F)F)c(Cl)c1C(F)F ZINC000575677640 384494036 /nfs/dbraw/zinc/49/40/36/384494036.db2.gz UKIZLZLYQCHELL-UHFFFAOYSA-N 0 0 228.572 3.921 10 0 BHAERN OCc1cc(C(F)F)cc(Cl)c1C(F)F ZINC000575677676 384494403 /nfs/dbraw/zinc/49/44/03/384494403.db2.gz VFRNHNZDQAHFHB-UHFFFAOYSA-N 0 0 242.599 3.708 10 0 BHAERN Oc1cc(C(F)F)cc(C(F)F)c1Cl ZINC000575678332 387361451 /nfs/dbraw/zinc/36/14/51/387361451.db2.gz VSFBZTAJAXUJCA-UHFFFAOYSA-N 0 0 228.572 3.921 10 0 BHAERN OCc1cc(C(F)F)c(Cl)cc1C(F)F ZINC000575678437 387359434 /nfs/dbraw/zinc/35/94/34/387359434.db2.gz XHGRVHFARPDIMJ-UHFFFAOYSA-N 0 0 242.599 3.708 10 0 BHAERN CCc1cc(Br)c(CC)cc1C ZINC000575679598 387363665 /nfs/dbraw/zinc/36/36/65/387363665.db2.gz ADVMXNUUFRVEPA-UHFFFAOYSA-N 0 0 227.145 3.882 10 0 BHAERN CCc1cc(Br)cc(F)c1CC ZINC000575679609 384512511 /nfs/dbraw/zinc/51/25/11/384512511.db2.gz AOWJFCYWTQXJJP-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN CCc1ccc(Br)c(CC)c1OC ZINC000575679993 384511757 /nfs/dbraw/zinc/51/17/57/384511757.db2.gz ANSCXRKSKILNFZ-UHFFFAOYSA-N 0 0 243.144 3.583 10 0 BHAERN CCc1ccc(Br)c(CC)c1C ZINC000575680061 387362207 /nfs/dbraw/zinc/36/22/07/387362207.db2.gz GMGXMWDFDMNYND-UHFFFAOYSA-N 0 0 227.145 3.882 10 0 BHAERN CCc1cc(Br)cc(C)c1CC ZINC000575680196 387363135 /nfs/dbraw/zinc/36/31/35/387363135.db2.gz JGYUAWJPKKBMNV-UHFFFAOYSA-N 0 0 227.145 3.882 10 0 BHAERN CCc1cc(F)cc(CC)c1Br ZINC000575680255 398050962 /nfs/dbraw/zinc/05/09/62/398050962.db2.gz KLSGWCLGPCJFNB-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN CCc1cc(CC)c(OC)cc1Br ZINC000575680259 398050777 /nfs/dbraw/zinc/05/07/77/398050777.db2.gz CRMVWUOYADVYRA-UHFFFAOYSA-N 0 0 243.144 3.583 10 0 BHAERN CCc1ccc(CC)c(Br)c1F ZINC000575680268 387362074 /nfs/dbraw/zinc/36/20/74/387362074.db2.gz KVAVSQOXXBBMCH-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN CCc1ccc(CC)c(OC)c1Br ZINC000575680373 384514750 /nfs/dbraw/zinc/51/47/50/384514750.db2.gz FJWRZNSHEDERAN-UHFFFAOYSA-N 0 0 243.144 3.583 10 0 BHAERN CCc1cc(Br)c(OC)cc1CC ZINC000575680395 384514676 /nfs/dbraw/zinc/51/46/76/384514676.db2.gz GMWGIAPYTZMEEQ-UHFFFAOYSA-N 0 0 243.144 3.583 10 0 BHAERN CCc1ccc(Br)c(C)c1CC ZINC000575680623 387363318 /nfs/dbraw/zinc/36/33/18/387363318.db2.gz PEJXGRZKEDIRJX-UHFFFAOYSA-N 0 0 227.145 3.882 10 0 BHAERN CCc1cc(CC)c(Br)cc1C ZINC000575680638 387362755 /nfs/dbraw/zinc/36/27/55/387362755.db2.gz PMZXQAPWWYGZLZ-UHFFFAOYSA-N 0 0 227.145 3.882 10 0 BHAERN CCc1ccc(Br)c(OC)c1CC ZINC000575680763 387360976 /nfs/dbraw/zinc/36/09/76/387360976.db2.gz JXRNRVAMQSWCEZ-UHFFFAOYSA-N 0 0 243.144 3.583 10 0 BHAERN CCc1cc(Br)c(CC)cc1F ZINC000575680905 384517907 /nfs/dbraw/zinc/51/79/07/384517907.db2.gz PZHXBJYQMTZVOX-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN CCc1cc(CC)c(Br)cc1F ZINC000575680946 384519347 /nfs/dbraw/zinc/51/93/47/384519347.db2.gz QRWRJCBFRWNWFJ-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN CCc1cc(Br)c(C)c(CC)c1 ZINC000575680960 384517783 /nfs/dbraw/zinc/51/77/83/384517783.db2.gz QXSFNWVDIISYNH-UHFFFAOYSA-N 0 0 227.145 3.882 10 0 BHAERN CCc1ccc(F)c(CC)c1Br ZINC000575680982 387360329 /nfs/dbraw/zinc/36/03/29/387360329.db2.gz REIWYVWXVQNFTM-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN CCc1cc(F)cc(Br)c1CC ZINC000575681218 387362457 /nfs/dbraw/zinc/36/24/57/387362457.db2.gz UAEVUJSSDSBLES-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN CCc1ccc(F)c(Br)c1CC ZINC000575681262 387362843 /nfs/dbraw/zinc/36/28/43/387362843.db2.gz VAZWEQRPJPYMLX-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN CCc1ccc(CC)c(Br)c1C ZINC000575681298 387363651 /nfs/dbraw/zinc/36/36/51/387363651.db2.gz VMGDYXIHJUSOTM-UHFFFAOYSA-N 0 0 227.145 3.882 10 0 BHAERN CCc1cc(C)c(Br)cc1CC ZINC000575681314 387362099 /nfs/dbraw/zinc/36/20/99/387362099.db2.gz VYYKWJJZRCNXPH-UHFFFAOYSA-N 0 0 227.145 3.882 10 0 BHAERN CCc1cc(C)c(CC)c(Br)c1 ZINC000575681359 384521173 /nfs/dbraw/zinc/52/11/73/384521173.db2.gz XEIFSTKAUXRMTQ-UHFFFAOYSA-N 0 0 227.145 3.882 10 0 BHAERN CCc1cc(F)c(CC)c(Br)c1 ZINC000575681371 387362912 /nfs/dbraw/zinc/36/29/12/387362912.db2.gz XNIKIJAAMLZMHG-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN CCc1cc(F)c(Br)c(CC)c1 ZINC000575681420 384521328 /nfs/dbraw/zinc/52/13/28/384521328.db2.gz YZABMXZNTUHHPC-UHFFFAOYSA-N 0 0 231.108 3.713 10 0 BHAERN CCc1cc(CC)c(Br)c(OC)c1 ZINC000575681492 387362175 /nfs/dbraw/zinc/36/21/75/387362175.db2.gz XTKSDGLQPJHTGH-UHFFFAOYSA-N 0 0 243.144 3.583 10 0 BHAERN CCc1cc(Br)cc(OC)c1CC ZINC000575681496 384521215 /nfs/dbraw/zinc/52/12/15/384521215.db2.gz XYEGEFRSZWJKTQ-UHFFFAOYSA-N 0 0 243.144 3.583 10 0 BHAERN CCc1cc(Br)c(CC)c(OC)c1 ZINC000575681507 387362811 /nfs/dbraw/zinc/36/28/11/387362811.db2.gz YLRQUWLCXRJGLH-UHFFFAOYSA-N 0 0 243.144 3.583 10 0 BHAERN Cc1c(Br)ccc(C(F)F)c1C=O ZINC000575683527 387362877 /nfs/dbraw/zinc/36/28/77/387362877.db2.gz AAJIKPNMGCHETQ-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1ccc(C=O)c(Br)c1C(F)F ZINC000575684171 387362286 /nfs/dbraw/zinc/36/22/86/387362286.db2.gz CEEYQGVTLPIPLI-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(C=O)c(C(F)F)cc1Br ZINC000575684185 387363468 /nfs/dbraw/zinc/36/34/68/387363468.db2.gz CQYIIMYRSBBQLL-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1ccc(C(F)F)c(Br)c1C=O ZINC000575684215 387363253 /nfs/dbraw/zinc/36/32/53/387363253.db2.gz DBPDZVBMJBIHJP-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1c(C=O)cc(Br)cc1C(F)F ZINC000575684263 387362060 /nfs/dbraw/zinc/36/20/60/387362060.db2.gz DYUJBVXZNZFFRF-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1c(Br)ccc(C=O)c1C(F)F ZINC000575684269 387362493 /nfs/dbraw/zinc/36/24/93/387362493.db2.gz FDQLTMAEQZHZSP-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1c(Br)cc(C(F)F)cc1C=O ZINC000575684273 384543787 /nfs/dbraw/zinc/54/37/87/384543787.db2.gz FFGKDCHRMVUHBR-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1ccc(C(F)F)c(C=O)c1Br ZINC000575684371 387363073 /nfs/dbraw/zinc/36/30/73/387363073.db2.gz GAWUNMJAYXXDKR-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(Br)cc(C(F)F)c1C=O ZINC000575684383 387363566 /nfs/dbraw/zinc/36/35/66/387363566.db2.gz GBGQNCMUPXZDRV-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(Br)c(C(F)F)c(C=O)c1 ZINC000575684420 387362700 /nfs/dbraw/zinc/36/27/00/387362700.db2.gz GHENSYQJRASQHN-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1c(C=O)c(Br)ccc1C(F)F ZINC000575684474 387362216 /nfs/dbraw/zinc/36/22/16/387362216.db2.gz GVOMQNZYDABKQL-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(C=O)cc(Br)c1C(F)F ZINC000575684482 387362418 /nfs/dbraw/zinc/36/24/18/387362418.db2.gz GWWXGGPLRAGVOO-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(C(F)F)c(Br)cc1C=O ZINC000575684649 387371903 /nfs/dbraw/zinc/37/19/03/387371903.db2.gz HSRIDEKQSKMPMK-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1c(Br)c(C(F)F)ccc1C=O ZINC000575684664 387371772 /nfs/dbraw/zinc/37/17/72/387371772.db2.gz HTDGBEOYJOUITJ-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(Br)cc(C=O)c1C(F)F ZINC000575684685 387371707 /nfs/dbraw/zinc/37/17/07/387371707.db2.gz HXYFNHLHXWGGSG-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(C=O)c(Br)cc1C(F)F ZINC000575684850 387372025 /nfs/dbraw/zinc/37/20/25/387372025.db2.gz IZDSNISPGGYFIA-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1ccc(C=O)c(C(F)F)c1Br ZINC000575684969 387371698 /nfs/dbraw/zinc/37/16/98/387371698.db2.gz JTBNATMRHALBPK-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(Br)c(C(F)F)cc1C=O ZINC000575685096 387370313 /nfs/dbraw/zinc/37/03/13/387370313.db2.gz KKJBKQURKQVTBW-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(C(F)F)cc(C=O)c1Br ZINC000575685415 384567195 /nfs/dbraw/zinc/56/71/95/384567195.db2.gz KZVAAZLYNQIAOC-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(Br)c(C=O)cc1C(F)F ZINC000575685435 387372706 /nfs/dbraw/zinc/37/27/06/387372706.db2.gz LLQYQARKNBFWCU-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(C(F)F)cc(Br)c1C=O ZINC000575685453 384568680 /nfs/dbraw/zinc/56/86/80/384568680.db2.gz LSMRSGDSCYSSKQ-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(Br)c(C=O)c(C(F)F)c1 ZINC000575685721 387372350 /nfs/dbraw/zinc/37/23/50/387372350.db2.gz NELDPENLDBRDEL-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN CSc1cc(Br)c(C)cc1C ZINC000575686316 384586759 /nfs/dbraw/zinc/58/67/59/384586759.db2.gz DDSJGPUXMIFOMF-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN Cc1ccc(Br)c(C=O)c1C(F)F ZINC000575686641 387373517 /nfs/dbraw/zinc/37/35/17/387373517.db2.gz PREFGPPSVRGFRX-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN CSc1c(C)ccc(C)c1Br ZINC000575686649 387374126 /nfs/dbraw/zinc/37/41/26/387374126.db2.gz HWTGGEIKWJMPPW-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN Cc1c(Br)c(C=O)ccc1C(F)F ZINC000575686778 384588729 /nfs/dbraw/zinc/58/87/29/384588729.db2.gz QVZXQMBEAYXBEF-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1ccc(Br)c(C(F)F)c1C=O ZINC000575686856 384589502 /nfs/dbraw/zinc/58/95/02/384589502.db2.gz RLYZTVSSBPUHPY-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(C=O)c(Br)c(C(F)F)c1 ZINC000575687127 387374875 /nfs/dbraw/zinc/37/48/75/387374875.db2.gz VDZRQDVZBKWEHH-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(C=O)cc(C(F)F)c1Br ZINC000575687174 387374841 /nfs/dbraw/zinc/37/48/41/387374841.db2.gz VJOFFFKXGZKWMU-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN CSc1c(Br)ccc(C)c1C ZINC000575687465 387375369 /nfs/dbraw/zinc/37/53/69/387375369.db2.gz IMQLPOMZIDMWNM-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN CSc1cc(C)c(C)cc1Br ZINC000575687478 387374810 /nfs/dbraw/zinc/37/48/10/387374810.db2.gz INVHCHJWFZMQEL-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN CSc1cc(C)cc(Br)c1C ZINC000575687544 387374048 /nfs/dbraw/zinc/37/40/48/387374048.db2.gz JIUCETYUJQFRAI-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN CSc1cc(Br)cc(C)c1C ZINC000575687553 387374130 /nfs/dbraw/zinc/37/41/30/387374130.db2.gz JVKSMDQJOBYMIM-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN CSc1cc(C)cc(C)c1Br ZINC000575687615 387373875 /nfs/dbraw/zinc/37/38/75/387373875.db2.gz KSOUEVLDHLGRGO-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN Cc1c(Br)cc(C=O)cc1C(F)F ZINC000575687736 384622363 /nfs/dbraw/zinc/62/23/63/384622363.db2.gz WKKAJKPMYGFXIK-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1c(C=O)ccc(Br)c1C(F)F ZINC000575687756 384622354 /nfs/dbraw/zinc/62/23/54/384622354.db2.gz WLHFDMRCFNJRTP-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN Cc1cc(C(F)F)c(C=O)cc1Br ZINC000575688131 387376787 /nfs/dbraw/zinc/37/67/87/387376787.db2.gz ZQOHSAMNBRNRLL-UHFFFAOYSA-N 0 0 249.054 3.508 10 0 BHAERN CSc1c(C)cc(C)cc1Br ZINC000575688576 384633005 /nfs/dbraw/zinc/63/30/05/384633005.db2.gz UBYPHEHUZFAGCG-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN CSc1c(C)ccc(Br)c1C ZINC000575688629 384631416 /nfs/dbraw/zinc/63/14/16/384631416.db2.gz WKXQSWPWGHAZCE-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN Cc1cc(C(F)F)c(Br)cc1F ZINC000575688958 387374923 /nfs/dbraw/zinc/37/49/23/387374923.db2.gz AQZIWJUZZRGIKG-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1c(F)c(C(F)F)ccc1Br ZINC000575688971 387375151 /nfs/dbraw/zinc/37/51/51/387375151.db2.gz BNVULCHRWPIPKG-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(F)c(C(F)F)c(Br)c1 ZINC000575688974 384627886 /nfs/dbraw/zinc/62/78/86/384627886.db2.gz BTGVUIWWAVMMEM-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(C(F)F)cc(Br)c1F ZINC000575688978 384628469 /nfs/dbraw/zinc/62/84/69/384628469.db2.gz CEDKUGOLXQAEQQ-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1ccc(C(F)F)c(F)c1Br ZINC000575689019 384629173 /nfs/dbraw/zinc/62/91/73/384629173.db2.gz GMKSDVHRJJXAMN-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1c(F)c(Br)ccc1C(F)F ZINC000575689022 387374802 /nfs/dbraw/zinc/37/48/02/387374802.db2.gz GPLIZINGWXDOFR-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1ccc(C(F)F)c(Br)c1F ZINC000575689063 387375235 /nfs/dbraw/zinc/37/52/35/387375235.db2.gz KDZAFNOAPZFWFF-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1c(Br)ccc(F)c1C(F)F ZINC000575689080 387377436 /nfs/dbraw/zinc/37/74/36/387377436.db2.gz LJLFLKWMGJYJQU-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(F)cc(C(F)F)c1Br ZINC000575689101 387377715 /nfs/dbraw/zinc/37/77/15/387377715.db2.gz NCGLNWVPADECCK-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1c(F)cc(C(F)F)cc1Br ZINC000575689106 387376797 /nfs/dbraw/zinc/37/67/97/387376797.db2.gz NMACTVPLPJWUSN-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1c(Br)c(F)ccc1C(F)F ZINC000575689109 387377129 /nfs/dbraw/zinc/37/71/29/387377129.db2.gz NPROMLQRNFLPNC-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(C(F)F)cc(F)c1Br ZINC000575689111 387377171 /nfs/dbraw/zinc/37/71/71/387377171.db2.gz NWPJIUKYRSDNJN-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(Br)c(C(F)F)cc1F ZINC000575689117 387376873 /nfs/dbraw/zinc/37/68/73/387376873.db2.gz OALTWCJFZZMGHD-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(C(F)F)c(F)cc1Br ZINC000575689128 387377968 /nfs/dbraw/zinc/37/79/68/387377968.db2.gz OPQRTMNBCZZKRV-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1ccc(Br)c(F)c1C(F)F ZINC000575689144 387377295 /nfs/dbraw/zinc/37/72/95/387377295.db2.gz PURMLLQNIBUERP-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1ccc(F)c(Br)c1C(F)F ZINC000575689190 387374835 /nfs/dbraw/zinc/37/48/35/387374835.db2.gz TYTYMSYVPYEKQI-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(F)cc(Br)c1C(F)F ZINC000575689206 387375724 /nfs/dbraw/zinc/37/57/24/387375724.db2.gz UYWXZZUYFLUNRY-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(F)c(Br)c(C(F)F)c1 ZINC000575689214 387376044 /nfs/dbraw/zinc/37/60/44/387376044.db2.gz VQQNKAPQBOBVNB-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1c(Br)cc(F)cc1C(F)F ZINC000575689257 384634206 /nfs/dbraw/zinc/63/42/06/384634206.db2.gz XXXSAXFFOSBUEV-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1c(F)ccc(C(F)F)c1Br ZINC000575689278 384636812 /nfs/dbraw/zinc/63/68/12/384636812.db2.gz ZQMHSMFUAXYIHG-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(Br)c(F)c(C(F)F)c1 ZINC000575689280 387374952 /nfs/dbraw/zinc/37/49/52/387374952.db2.gz ZSURGKSWVOXGBO-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(F)c(C(F)F)cc1Br ZINC000575689306 387377238 /nfs/dbraw/zinc/37/72/38/387377238.db2.gz BFVPUKGLORBGQK-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(Br)c(F)cc1C(F)F ZINC000575689374 387376942 /nfs/dbraw/zinc/37/69/42/387376942.db2.gz GUQIVKXNVNRVPA-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1c(F)ccc(Br)c1C(F)F ZINC000575689376 387377862 /nfs/dbraw/zinc/37/78/62/387377862.db2.gz GYOMLURQWVSXEO-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1c(F)cc(Br)cc1C(F)F ZINC000575689605 387377088 /nfs/dbraw/zinc/37/70/88/387377088.db2.gz UUDYITCHYJQLKD-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN Cc1cc(F)c(Br)cc1C(F)F ZINC000575689642 387376791 /nfs/dbraw/zinc/37/67/91/387376791.db2.gz XGHHBEOXOWXRMF-UHFFFAOYSA-N 0 0 239.034 3.834 10 0 BHAERN OCc1cc(C(F)(F)F)cc(Cl)c1Cl ZINC000575693569 387382640 /nfs/dbraw/zinc/38/26/40/387382640.db2.gz AJXNKDDHSGDQNX-UHFFFAOYSA-N 0 0 245.027 3.505 10 0 BHAERN COc1c(N=O)cc(Cl)cc1C(F)(F)F ZINC000575693573 398053342 /nfs/dbraw/zinc/05/33/42/398053342.db2.gz BIHCHZYQMWNJSU-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN COc1cc(C(F)(F)F)c(N=O)cc1Cl ZINC000575693642 398054414 /nfs/dbraw/zinc/05/44/14/398054414.db2.gz CTLKHSZHBZZFMU-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN COc1cc(C(F)(F)F)c(Cl)cc1N=O ZINC000575693700 387383148 /nfs/dbraw/zinc/38/31/48/387383148.db2.gz DUIFNHJDWOHEQA-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN COc1c(Cl)c(C(F)(F)F)ccc1N=O ZINC000575693718 387384445 /nfs/dbraw/zinc/38/44/45/387384445.db2.gz FMQMLNRZLVNYDS-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN COc1cc(Cl)cc(N=O)c1C(F)(F)F ZINC000575693728 387384639 /nfs/dbraw/zinc/38/46/39/387384639.db2.gz FRPJBAIQOFMRHE-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN COc1cc(Cl)c(C(F)(F)F)c(N=O)c1 ZINC000575693732 387384450 /nfs/dbraw/zinc/38/44/50/387384450.db2.gz FSDNNGFWPWOFFQ-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN COc1cc(N=O)c(Cl)cc1C(F)(F)F ZINC000575693763 387385191 /nfs/dbraw/zinc/38/51/91/387385191.db2.gz FZWAOFKPOLMLRC-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN COc1cc(Cl)c(N=O)cc1C(F)(F)F ZINC000575694019 384657936 /nfs/dbraw/zinc/65/79/36/384657936.db2.gz HBLFRLOCAMUPDZ-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN COc1cc(Cl)cc(C(F)(F)F)c1N=O ZINC000575694118 384659016 /nfs/dbraw/zinc/65/90/16/384659016.db2.gz JCVBJCJMUPYLAP-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN COc1cc(C(F)(F)F)cc(Cl)c1N=O ZINC000575694148 398054459 /nfs/dbraw/zinc/05/44/59/398054459.db2.gz JOGVIJNFMKXBIL-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN CCc1cc(F)c(C(F)(F)F)cc1F ZINC000575694159 387387139 /nfs/dbraw/zinc/38/71/39/387387139.db2.gz DEPHQWABIZGGDO-UHFFFAOYSA-N 0 0 210.145 3.546 10 0 BHAERN COc1c(Cl)cc(C(F)(F)F)cc1N=O ZINC000575694255 384657661 /nfs/dbraw/zinc/65/76/61/384657661.db2.gz KUMILHCLTOIZJV-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN CCc1cc(C(F)(F)F)c(F)cc1F ZINC000575694303 387385290 /nfs/dbraw/zinc/38/52/90/387385290.db2.gz FQZDCBCADMBSAP-UHFFFAOYSA-N 0 0 210.145 3.546 10 0 BHAERN O=Cc1cc(Cl)cc(Cl)c1C(F)(F)F ZINC000575694507 387384231 /nfs/dbraw/zinc/38/42/31/387384231.db2.gz MGYCZCJRHKKSCE-UHFFFAOYSA-N 0 0 243.011 3.825 10 0 BHAERN O=Cc1c(Cl)cc(Cl)cc1C(F)(F)F ZINC000575694521 387387133 /nfs/dbraw/zinc/38/71/33/387387133.db2.gz MHAIXQJMPMEMJT-UHFFFAOYSA-N 0 0 243.011 3.825 10 0 BHAERN CCOc1cc(C)cc(C(F)(F)F)c1C ZINC000575694649 387394894 /nfs/dbraw/zinc/39/48/94/387394894.db2.gz ALSCKEZEXMKIRR-UHFFFAOYSA-N 0 0 218.218 3.721 10 0 BHAERN CCOc1cc(C)c(C)cc1C(F)(F)F ZINC000575694655 387394519 /nfs/dbraw/zinc/39/45/19/387394519.db2.gz ANHIMDSEMLZXOU-UHFFFAOYSA-N 0 0 218.218 3.721 10 0 BHAERN CCOc1cc(F)cc(C(F)(F)F)c1C ZINC000575694664 387393704 /nfs/dbraw/zinc/39/37/04/387393704.db2.gz AQYFXBVDRHWDPC-UHFFFAOYSA-N 0 0 222.181 3.552 10 0 BHAERN CCc1cc(C)c(C)c(C(F)(F)F)c1 ZINC000575694711 387394916 /nfs/dbraw/zinc/39/49/16/387394916.db2.gz BKAPHNMAFKBUBL-UHFFFAOYSA-N 0 0 202.219 3.885 10 0 BHAERN CCc1cc(F)cc(C(F)(F)F)c1F ZINC000575694729 387394400 /nfs/dbraw/zinc/39/44/00/387394400.db2.gz HXTOMHJVBXAALQ-UHFFFAOYSA-N 0 0 210.145 3.546 10 0 BHAERN CCc1ccc(C)c(C)c1C(F)(F)F ZINC000575694782 384659301 /nfs/dbraw/zinc/65/93/01/384659301.db2.gz BYKLGMXZBJPDOJ-UHFFFAOYSA-N 0 0 202.219 3.885 10 0 BHAERN COc1cc(N=O)c(C(F)(F)F)cc1Cl ZINC000575694803 387393960 /nfs/dbraw/zinc/39/39/60/387393960.db2.gz NXXXXJHNWKUCEJ-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN CCc1cc(F)cc(F)c1C(F)(F)F ZINC000575694813 384661632 /nfs/dbraw/zinc/66/16/32/384661632.db2.gz JCKRLKAZXVKQEC-UHFFFAOYSA-N 0 0 210.145 3.546 10 0 BHAERN CCOc1cc(F)c(C)c(C(F)(F)F)c1 ZINC000575694829 384663320 /nfs/dbraw/zinc/66/33/20/384663320.db2.gz BGGCFGZDWZVDSH-UHFFFAOYSA-N 0 0 222.181 3.552 10 0 BHAERN CCc1cc(F)c(F)cc1C(F)(F)F ZINC000575694831 387393742 /nfs/dbraw/zinc/39/37/42/387393742.db2.gz JMVKHGOBYYHGFE-UHFFFAOYSA-N 0 0 210.145 3.546 10 0 BHAERN COc1cc(C(F)(F)F)cc(N=O)c1Cl ZINC000575694862 387394071 /nfs/dbraw/zinc/39/40/71/387394071.db2.gz OLSMQMWMIINBKO-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN COc1cc(N=O)cc(C(F)(F)F)c1Cl ZINC000575694911 384661783 /nfs/dbraw/zinc/66/17/83/384661783.db2.gz ORWSRRXEEZUTTM-UHFFFAOYSA-N 0 0 239.580 3.765 10 0 BHAERN CCc1ccc(F)c(F)c1C(F)(F)F ZINC000575695054 387394305 /nfs/dbraw/zinc/39/43/05/387394305.db2.gz MFLFDXPFZOCMON-UHFFFAOYSA-N 0 0 210.145 3.546 10 0 BHAERN OCc1cc(C(F)(F)F)c(Cl)cc1Cl ZINC000575695063 387393900 /nfs/dbraw/zinc/39/39/00/387393900.db2.gz OZHJSJZYECDEQT-UHFFFAOYSA-N 0 0 245.027 3.505 10 0 BHAERN OCc1cc(Cl)cc(C(F)(F)F)c1Cl ZINC000575695079 387394779 /nfs/dbraw/zinc/39/47/79/387394779.db2.gz PKJHQHUBNDMGNS-UHFFFAOYSA-N 0 0 245.027 3.505 10 0 BHAERN CCOc1cc(C)c(C)c(C(F)(F)F)c1 ZINC000575695080 387393966 /nfs/dbraw/zinc/39/39/66/387393966.db2.gz DLHNPWYHOBSLMS-UHFFFAOYSA-N 0 0 218.218 3.721 10 0 BHAERN CCOc1cc(C)c(C(F)(F)F)c(F)c1 ZINC000575695108 387394474 /nfs/dbraw/zinc/39/44/74/387394474.db2.gz CCFVHXARTAREKJ-UHFFFAOYSA-N 0 0 222.181 3.552 10 0 BHAERN CCc1c(C)ccc(C)c1C(F)(F)F ZINC000575695118 387394600 /nfs/dbraw/zinc/39/46/00/387394600.db2.gz DXMQOJBYLBEFEK-UHFFFAOYSA-N 0 0 202.219 3.885 10 0 BHAERN CCOc1c(C)cc(C)cc1C(F)(F)F ZINC000575695123 387394743 /nfs/dbraw/zinc/39/47/43/387394743.db2.gz DXUSKJXLQSOYBZ-UHFFFAOYSA-N 0 0 218.218 3.721 10 0 BHAERN CCOc1cc(C)c(F)cc1C(F)(F)F ZINC000575695142 387394611 /nfs/dbraw/zinc/39/46/11/387394611.db2.gz CKFZUHWTJDBXEW-UHFFFAOYSA-N 0 0 222.181 3.552 10 0 BHAERN CCOc1cc(C)c(F)c(C(F)(F)F)c1 ZINC000575695180 387394711 /nfs/dbraw/zinc/39/47/11/387394711.db2.gz DDKOPAMHJIWBBE-UHFFFAOYSA-N 0 0 222.181 3.552 10 0 BHAERN CCOc1ccc(C)c(C(F)(F)F)c1C ZINC000575695243 387393934 /nfs/dbraw/zinc/39/39/34/387393934.db2.gz GOTOUUIQOQUFAT-UHFFFAOYSA-N 0 0 218.218 3.721 10 0 BHAERN OCc1cc(Cl)c(C(F)(F)F)cc1Cl ZINC000575695309 384665103 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CCc1c(C(F)(F)F)ccc(C)c1C(C)=O ZINC000575706253 387411109 /nfs/dbraw/zinc/41/11/09/387411109.db2.gz NUXWFUGFWFOYRW-UHFFFAOYSA-N 0 0 230.229 3.779 10 0 BHAERN CCc1cc(C(C)=O)cc(C)c1C(F)(F)F ZINC000575706301 384800869 /nfs/dbraw/zinc/80/08/69/384800869.db2.gz PFZCLCTWQCYACA-UHFFFAOYSA-N 0 0 230.229 3.779 10 0 BHAERN CCc1cc(OC)cc(C)c1C(F)(F)F ZINC000575706314 387411288 /nfs/dbraw/zinc/41/12/88/387411288.db2.gz PIQNBNYVAIRYKB-UHFFFAOYSA-N 0 0 218.218 3.585 10 0 BHAERN CCc1c(OC)cc(C)cc1C(F)(F)F ZINC000575706565 387410769 /nfs/dbraw/zinc/41/07/69/387410769.db2.gz PYTDCMPNZDDFBG-UHFFFAOYSA-N 0 0 218.218 3.585 10 0 BHAERN CCc1ccc(C)c(OC)c1C(F)(F)F ZINC000575706595 387410956 /nfs/dbraw/zinc/41/09/56/387410956.db2.gz RXBNWGVNZMSGLV-UHFFFAOYSA-N 0 0 218.218 3.585 10 0 BHAERN CCc1c(C(C)=O)cc(C)cc1C(F)(F)F ZINC000575706601 387410906 /nfs/dbraw/zinc/41/09/06/387410906.db2.gz SDXBFPJIBBVXJE-UHFFFAOYSA-N 0 0 230.229 3.779 10 0 BHAERN CCc1cc(C)c(C(F)(F)F)cc1OC ZINC000575706625 387410270 /nfs/dbraw/zinc/41/02/70/387410270.db2.gz TTYQCTQCFCKSES-UHFFFAOYSA-N 0 0 218.218 3.585 10 0 BHAERN CCc1cc(C(F)(F)F)cc(OC)c1C ZINC000575706628 387410525 /nfs/dbraw/zinc/41/05/25/387410525.db2.gz TXRGMKQAAMRCOM-UHFFFAOYSA-N 0 0 218.218 3.585 10 0 BHAERN CCc1cc(C(F)(F)F)c(C)cc1C(C)=O ZINC000575706630 387410430 /nfs/dbraw/zinc/41/04/30/387410430.db2.gz UAWFSKVQEFZEDG-UHFFFAOYSA-N 0 0 230.229 3.779 10 0 BHAERN CCc1ccc(C)c(C(C)=O)c1C(F)(F)F ZINC000575706659 387410977 /nfs/dbraw/zinc/41/09/77/387410977.db2.gz UOHRWIIZCKFPCW-UHFFFAOYSA-N 0 0 230.229 3.779 10 0 BHAERN CCc1c(C)ccc(C(F)(F)F)c1OC ZINC000575706668 387410932 /nfs/dbraw/zinc/41/09/32/387410932.db2.gz UVNCHMLHXDNSAO-UHFFFAOYSA-N 0 0 218.218 3.585 10 0 BHAERN CCc1ccc(C(F)(F)F)c(OC)c1C ZINC000575706677 387410166 /nfs/dbraw/zinc/41/01/66/387410166.db2.gz UYSBUHOQYNHNBS-UHFFFAOYSA-N 0 0 218.218 3.585 10 0 BHAERN CCc1ccc(C)c(C(F)(F)F)c1OC ZINC000575706798 387411017 /nfs/dbraw/zinc/41/10/17/387411017.db2.gz VWVXTVMXGHKFAN-UHFFFAOYSA-N 0 0 218.218 3.585 10 0 BHAERN CCc1cc(C)cc(C(F)(F)F)c1OC ZINC000575706816 387410211 /nfs/dbraw/zinc/41/02/11/387410211.db2.gz WWAWEVYGUCYDIU-UHFFFAOYSA-N 0 0 218.218 3.585 10 0 BHAERN CCc1cc(C(F)(F)F)c(OC)cc1C ZINC000575706873 387411240 /nfs/dbraw/zinc/41/12/40/387411240.db2.gz YXYNVGBYOUBLNM-UHFFFAOYSA-N 0 0 218.218 3.585 10 0 BHAERN CSc1c(F)cc(C)cc1OC(F)(F)F ZINC000575709764 387413495 /nfs/dbraw/zinc/41/34/95/387413495.db2.gz AULXRAIOBYUDRE-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1cc(C)cc(F)c1OC(F)(F)F ZINC000575709864 387413961 /nfs/dbraw/zinc/41/39/61/387413961.db2.gz BOUXPKZVNBASJC-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1cc(C)c(OC(F)(F)F)c(F)c1 ZINC000575709913 384826756 /nfs/dbraw/zinc/82/67/56/384826756.db2.gz CMBMZZCFBGKCHC-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1c(C)c(F)ccc1OC(F)(F)F ZINC000575709942 384826129 /nfs/dbraw/zinc/82/61/29/384826129.db2.gz CUVDJXAVHMLYON-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1c(C)ccc(F)c1OC(F)(F)F ZINC000575710831 387415375 /nfs/dbraw/zinc/41/53/75/387415375.db2.gz KQBKFYPSZPCYET-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1cc(OC(F)(F)F)cc(C)c1F ZINC000575710849 387415023 /nfs/dbraw/zinc/41/50/23/387415023.db2.gz KWDXVPYJVFBDTA-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1cc(C)c(F)cc1OC(F)(F)F ZINC000575711026 387415594 /nfs/dbraw/zinc/41/55/94/387415594.db2.gz NUQOAGKLPOSARU-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1c(C)cc(OC(F)(F)F)cc1F ZINC000575711273 384842418 /nfs/dbraw/zinc/84/24/18/384842418.db2.gz PYIHXDBHMJKMMF-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1ccc(C)c(OC(F)(F)F)c1F ZINC000575711286 387415220 /nfs/dbraw/zinc/41/52/20/387415220.db2.gz QGXIUGOKECHPDJ-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1cc(F)cc(OC(F)(F)F)c1C ZINC000575711338 387414974 /nfs/dbraw/zinc/41/49/74/387414974.db2.gz RKMGFNZLZMPFNF-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1c(OC(F)(F)F)ccc(C)c1F ZINC000575711650 387414917 /nfs/dbraw/zinc/41/49/17/387414917.db2.gz UTRQHEMCZMQWOR-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1cc(OC(F)(F)F)c(C)cc1F ZINC000575711653 387415495 /nfs/dbraw/zinc/41/54/95/387415495.db2.gz UUIIMXCTGBRKKJ-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN CSc1c(F)ccc(C)c1OC(F)(F)F ZINC000575711771 387415070 /nfs/dbraw/zinc/41/50/70/387415070.db2.gz YFBIZBUWHWUIIR-UHFFFAOYSA-N 0 0 240.221 3.755 10 0 BHAERN O[C@@H]1CCCC[C@H]1Nc1ccc(C2CCC2)cc1 ZINC000579375232 366773989 /nfs/dbraw/zinc/77/39/89/366773989.db2.gz BKLLVOZMJJSACT-HZPDHXFCSA-N 0 0 245.366 3.670 10 0 BHAERN O[C@H](c1ccc2c(c1)Cc1ccccc1-2)C1CC1 ZINC000584590387 358249172 /nfs/dbraw/zinc/24/91/72/358249172.db2.gz CBGMPEWQCVBADH-KRWDZBQOSA-N 0 0 236.314 3.701 10 0 BHAERN O[C@@H](c1ccc2c(c1)Cc1ccccc1-2)C1CC1 ZINC000584590388 358248850 /nfs/dbraw/zinc/24/88/50/358248850.db2.gz CBGMPEWQCVBADH-QGZVFWFLSA-N 0 0 236.314 3.701 10 0 BHAERN CSc1ccc2c(c1)-c1ccc(F)cc1C2=O ZINC000584590408 358249202 /nfs/dbraw/zinc/24/92/02/358249202.db2.gz HHCLVUIUJJXPQC-UHFFFAOYSA-N 0 0 244.290 3.759 10 0 BHAERN COC(OC)=C1c2ccccc2-c2ccccc21 ZINC000584590424 358249080 /nfs/dbraw/zinc/24/90/80/358249080.db2.gz LPUKBXRHQLCBOI-UHFFFAOYSA-N 0 0 238.286 3.677 10 0 BHAERN CSc1ccc2c(c1)-c1ccccc1C2 ZINC000584590492 358249195 /nfs/dbraw/zinc/24/91/95/358249195.db2.gz YYEDSOITLVRDBI-UHFFFAOYSA-N 0 0 212.317 3.980 10 0 BHAERN COc1cccc2c1Oc1cccc(F)c1C2 ZINC000584590699 358249103 /nfs/dbraw/zinc/24/91/03/358249103.db2.gz YRVZOYXYELCUQS-UHFFFAOYSA-N 0 0 230.238 3.531 10 0 BHAERN CCc1ccc(NC(C)=O)c(-c2ccccc2)c1 ZINC000584591034 358249233 /nfs/dbraw/zinc/24/92/33/358249233.db2.gz MLXGLLXLEUKNTC-UHFFFAOYSA-N 0 0 239.318 3.874 10 0 BHAERN CCN(C(C)=O)C1(c2ccccc2)CCCCC1 ZINC000584591247 358249595 /nfs/dbraw/zinc/24/95/95/358249595.db2.gz YIAAQASWAHIGFA-UHFFFAOYSA-N 0 0 245.366 3.714 10 0 BHAERN O=Cc1c(Cl)cc(C(F)F)cc1Cl ZINC000584591613 358249475 /nfs/dbraw/zinc/24/94/75/358249475.db2.gz AOVZHOBPKUQKIK-UHFFFAOYSA-N 0 0 225.021 3.744 10 0 BHAERN CCC1(c2cc(C(F)(F)F)ccc2C=O)CC1 ZINC000584591621 358249673 /nfs/dbraw/zinc/24/96/73/358249673.db2.gz BUBDXSGCMNFDCY-UHFFFAOYSA-N 0 0 242.240 3.960 10 0 BHAERN CC1(c2ccc(C3(C)CC3)c(C=O)c2)CC1 ZINC000584591631 358249769 /nfs/dbraw/zinc/24/97/69/358249769.db2.gz DITPCTJICDLPGO-UHFFFAOYSA-N 0 0 214.308 3.602 10 0 BHAERN O=Cc1cccc(Oc2ccc3ccccc3n2)c1 ZINC000584591705 358249670 /nfs/dbraw/zinc/24/96/70/358249670.db2.gz RLBGZQAWQARTQV-UHFFFAOYSA-N 0 0 249.269 3.840 10 0 BHAERN Cc1ccc(C=O)c(C)c1OCc1ccccc1 ZINC000584591764 358250328 /nfs/dbraw/zinc/25/03/28/358250328.db2.gz ZNWYSDSOIVPRMH-UHFFFAOYSA-N 0 0 240.302 3.695 10 0 BHAERN C[C@@H]1CC[C@@H](CCCCN2CC2)[C@@H](C)C1 ZINC000584591766 358250454 /nfs/dbraw/zinc/25/04/54/358250454.db2.gz JMENCCIKVJTSEL-HZSPNIEDSA-N 0 0 209.377 3.545 10 0 BHAERN C[C@@H]1CC[C@H](CCCCN2CC2)[C@H](C)C1 ZINC000584591771 358250349 /nfs/dbraw/zinc/25/03/49/358250349.db2.gz JMENCCIKVJTSEL-MCIONIFRSA-N 0 0 209.377 3.545 10 0 BHAERN C[C@@H]1CC[C@@H](CCCCN2CC2)[C@H](C)C1 ZINC000584591772 358250319 /nfs/dbraw/zinc/25/03/19/358250319.db2.gz JMENCCIKVJTSEL-MGPQQGTHSA-N 0 0 209.377 3.545 10 0 BHAERN C[C@@H]1CC[C@H](CCCCN2CC2)[C@@H](C)C1 ZINC000584591773 358250256 /nfs/dbraw/zinc/25/02/56/358250256.db2.gz JMENCCIKVJTSEL-RDBSUJKOSA-N 0 0 209.377 3.545 10 0 BHAERN CC(C)N1C[C@@H]1c1ccc2ccccc2c1 ZINC000584591782 358250297 /nfs/dbraw/zinc/25/02/97/358250297.db2.gz KAHNPCVIUPDJLP-AAFJCEBUSA-N 0 0 211.308 3.605 10 0 BHAERN CC(C)N1C[C@H]1c1ccc2ccccc2c1 ZINC000584591787 358250410 /nfs/dbraw/zinc/25/04/10/358250410.db2.gz KAHNPCVIUPDJLP-VYRBHSGPSA-N 0 0 211.308 3.605 10 0 BHAERN CCCC1(c2cc(C)ccc2C=O)CC1 ZINC000584592047 358250198 /nfs/dbraw/zinc/25/01/98/358250198.db2.gz DAOPHMJTJWWGAX-UHFFFAOYSA-N 0 0 202.297 3.639 10 0 BHAERN Cc1ccc(C2(CC(C)C)CC2)c(C=O)c1 ZINC000584592280 358250288 /nfs/dbraw/zinc/25/02/88/358250288.db2.gz KEDWGDBSNBYNEN-UHFFFAOYSA-N 0 0 216.324 3.885 10 0 BHAERN O=Cc1ccc(Oc2ccc3ccccc3n2)cc1 ZINC000584592482 358250215 /nfs/dbraw/zinc/25/02/15/358250215.db2.gz POVVYSGCDIMKBX-UHFFFAOYSA-N 0 0 249.269 3.840 10 0 BHAERN Cc1cc(C2(C)CC2)c(C=O)cc1C1(C)CC1 ZINC000584592483 358250315 /nfs/dbraw/zinc/25/03/15/358250315.db2.gz NIPGRLHWOALHOW-UHFFFAOYSA-N 0 0 228.335 3.911 10 0 BHAERN Cc1cccc(F)c1Oc1ccc(C=O)cc1 ZINC000584592609 358251081 /nfs/dbraw/zinc/25/10/81/358251081.db2.gz SMHAENWYXINBES-UHFFFAOYSA-N 0 0 230.238 3.739 10 0 BHAERN Cc1cc(Oc2cccc(F)c2F)cc(C)c1N ZINC000584592616 358251052 /nfs/dbraw/zinc/25/10/52/358251052.db2.gz RBANHDIEERLELS-UHFFFAOYSA-N 0 0 249.260 3.956 10 0 BHAERN Nc1ccc(Oc2ccccc2F)cc1Cl ZINC000584592635 358251065 /nfs/dbraw/zinc/25/10/65/358251065.db2.gz UCGNTNKRHGPHFJ-UHFFFAOYSA-N 0 0 237.661 3.854 10 0 BHAERN F[C@@H]1CC=C(c2ccc(Br)cc2)C1 ZINC000584593012 358251046 /nfs/dbraw/zinc/25/10/46/358251046.db2.gz BIABZSIPVXFWAY-LLVKDONJSA-N 0 0 241.103 3.964 10 0 BHAERN F[C@H]1CC=C(c2ccc(Br)cc2)C1 ZINC000584593013 358250998 /nfs/dbraw/zinc/25/09/98/358250998.db2.gz BIABZSIPVXFWAY-NSHDSACASA-N 0 0 241.103 3.964 10 0 BHAERN CC/C(=C\c1ccc(C2CC2)c(OC)c1)[N+](=O)[O-] ZINC000584593050 358250992 /nfs/dbraw/zinc/25/09/92/358250992.db2.gz JLLRFQGMBODUDS-XYOKQWHBSA-N 0 0 247.294 3.600 10 0 BHAERN COCOc1c(C(C)C)cccc1C1CC1 ZINC000584593070 358251085 /nfs/dbraw/zinc/25/10/85/358251085.db2.gz MVHCBEGHDNWQIQ-UHFFFAOYSA-N 0 0 220.312 3.670 10 0 BHAERN O=[N+]([O-])/C=C/c1ccccc1Cc1ccccc1 ZINC000584593136 358251063 /nfs/dbraw/zinc/25/10/63/358251063.db2.gz AMQWQQMMCRHBAS-ZHACJKMWSA-N 0 0 239.274 3.525 10 0 BHAERN CCCc1cc(/C=C(\CC)[N+](=O)[O-])ccc1OC ZINC000584593519 488017744 /nfs/dbraw/zinc/01/77/44/488017744.db2.gz VUTYFTVOXIBIQZ-JLHYYAGUSA-N 0 0 249.310 3.675 10 0 BHAERN CCCCOc1ccc(OCCC)c(F)c1F ZINC000584593762 398077068 /nfs/dbraw/zinc/07/70/68/398077068.db2.gz PAZCXYQTOXYNKF-UHFFFAOYSA-N 0 0 244.281 3.933 10 0 BHAERN C/C=C(/CC)c1cccc([C@H](C)C(=O)OC)c1 ZINC000584594221 398077046 /nfs/dbraw/zinc/07/70/46/398077046.db2.gz NCQRSPSLOBKBCJ-KQDRGBMMSA-N 0 0 232.323 3.776 10 0 BHAERN C/C=C(/CC)c1cccc([C@@H](C)C(=O)OC)c1 ZINC000584594222 398077132 /nfs/dbraw/zinc/07/71/32/398077132.db2.gz NCQRSPSLOBKBCJ-XYHYMSPGSA-N 0 0 232.323 3.776 10 0 BHAERN CCCCC/C=C\c1ccc(CCO)cc1 ZINC000584594860 358252258 /nfs/dbraw/zinc/25/22/58/358252258.db2.gz CNINVLYXLBFTPH-SREVYHEPSA-N 0 0 218.340 3.815 10 0 BHAERN CC(C)C(CO)(c1ccccc1)c1ccccc1 ZINC000584594893 358252051 /nfs/dbraw/zinc/25/20/51/358252051.db2.gz GYPNLOIJQBROCN-UHFFFAOYSA-N 0 0 240.346 3.621 10 0 BHAERN Cc1cccc(CNOCc2cccc(C)c2)c1 ZINC000584595262 358252659 /nfs/dbraw/zinc/25/26/59/358252659.db2.gz XTIORTSFNGXFQB-UHFFFAOYSA-N 0 0 241.334 3.525 10 0 BHAERN Cc1ccc(CNOCc2ccc(C)cc2)cc1 ZINC000584595362 358252377 /nfs/dbraw/zinc/25/23/77/358252377.db2.gz GJSJEIZRIATZFM-UHFFFAOYSA-N 0 0 241.334 3.525 10 0 BHAERN O=C(Cc1ccccn1)c1c(F)cccc1Cl ZINC000584595755 358253143 /nfs/dbraw/zinc/25/31/43/358253143.db2.gz LTKBSMDORARHNP-WQLSENKSSA-N 0 0 249.672 3.930 10 0 BHAERN CC(C)Nc1ccccc1[C@@H](O)c1ccccc1 ZINC000584595765 358253115 /nfs/dbraw/zinc/25/31/15/358253115.db2.gz PERDRNYYGVBRJN-INIZCTEOSA-N 0 0 241.334 3.589 10 0 BHAERN CC(C)Nc1ccccc1[C@H](O)c1ccccc1 ZINC000584595766 358253253 /nfs/dbraw/zinc/25/32/53/358253253.db2.gz PERDRNYYGVBRJN-MRXNPFEDSA-N 0 0 241.334 3.589 10 0 BHAERN CC(C)Cc1ccccc1[C@@H](O)c1ccccc1 ZINC000584595792 358253241 /nfs/dbraw/zinc/25/32/41/358253241.db2.gz VUEZIWKVDCROFN-KRWDZBQOSA-N 0 0 240.346 3.967 10 0 BHAERN CC(C)Cc1ccccc1[C@H](O)c1ccccc1 ZINC000584595793 358253072 /nfs/dbraw/zinc/25/30/72/358253072.db2.gz VUEZIWKVDCROFN-QGZVFWFLSA-N 0 0 240.346 3.967 10 0 BHAERN CCOC(=O)[C@@H](CC)CCCc1ccccc1 ZINC000584595893 358253219 /nfs/dbraw/zinc/25/32/19/358253219.db2.gz IXPGLQQDUJJNBS-AWEZNQCLSA-N 0 0 234.339 3.599 10 0 BHAERN CCOC(=O)[C@H](CC)CCCc1ccccc1 ZINC000584595894 358253136 /nfs/dbraw/zinc/25/31/36/358253136.db2.gz IXPGLQQDUJJNBS-CQSZACIVSA-N 0 0 234.339 3.599 10 0 BHAERN CC(C)c1ccc([C@@H](C)O)cc1C(C)C ZINC000584595935 358253092 /nfs/dbraw/zinc/25/30/92/358253092.db2.gz BOHFWLYGRDTFGN-LLVKDONJSA-N 0 0 206.329 3.987 10 0 BHAERN CC(C)c1ccc([C@H](C)O)cc1C(C)C ZINC000584595936 358253307 /nfs/dbraw/zinc/25/33/07/358253307.db2.gz BOHFWLYGRDTFGN-NSHDSACASA-N 0 0 206.329 3.987 10 0 BHAERN Cc1cc(C)c(O)c([C@@H](O)C2CCCCC2)c1 ZINC000584596126 358254004 /nfs/dbraw/zinc/25/40/04/358254004.db2.gz OJVAYSSDJILIQO-HNNXBMFYSA-N 0 0 234.339 3.623 10 0 BHAERN Cc1cc(C)c(O)c([C@H](O)C2CCCCC2)c1 ZINC000584596127 358253835 /nfs/dbraw/zinc/25/38/35/358253835.db2.gz OJVAYSSDJILIQO-OAHLLOKOSA-N 0 0 234.339 3.623 10 0 BHAERN CCOc1cc(C2CCC2)c(C2CC2)cc1CO ZINC000584596170 358254052 /nfs/dbraw/zinc/25/40/52/358254052.db2.gz VOJMVBQKYJCCQN-UHFFFAOYSA-N 0 0 246.350 3.723 10 0 BHAERN CCOC(=O)[C@@H](CC=C(C)C)Cc1ccccc1 ZINC000584596586 358253787 /nfs/dbraw/zinc/25/37/87/358253787.db2.gz AGHBOKKSSGXRFA-HNNXBMFYSA-N 0 0 246.350 3.765 10 0 BHAERN CCOC(=O)[C@H](CC=C(C)C)Cc1ccccc1 ZINC000584596590 358253659 /nfs/dbraw/zinc/25/36/59/358253659.db2.gz AGHBOKKSSGXRFA-OAHLLOKOSA-N 0 0 246.350 3.765 10 0 BHAERN CC[C@@H](C/C=C/OC)c1ccc(C(=O)OC)cc1 ZINC000584597770 358255010 /nfs/dbraw/zinc/25/50/10/358255010.db2.gz JEOXATVXKGVTAS-JVOXIWMLSA-N 0 0 248.322 3.517 10 0 BHAERN CC[C@H](C/C=C/OC)c1ccc(C(=O)OC)cc1 ZINC000584597771 358255302 /nfs/dbraw/zinc/25/53/02/358255302.db2.gz JEOXATVXKGVTAS-JXDHDYMSSA-N 0 0 248.322 3.517 10 0 BHAERN CC[C@]1(C)Cc2c1cccc2Br ZINC000584599593 387501447 /nfs/dbraw/zinc/50/14/47/387501447.db2.gz DQWAJLRMSLNNEE-LLVKDONJSA-N 0 0 225.129 3.673 10 0 BHAERN CC[C@@]1(C)Cc2c1cccc2Br ZINC000584599595 387501441 /nfs/dbraw/zinc/50/14/41/387501441.db2.gz DQWAJLRMSLNNEE-NSHDSACASA-N 0 0 225.129 3.673 10 0 BHAERN CC(C)[C@H]1Cc2c1cccc2Br ZINC000584599596 387501497 /nfs/dbraw/zinc/50/14/97/387501497.db2.gz DTYUYHPNIKAJDB-SECBINFHSA-N 0 0 225.129 3.745 10 0 BHAERN CC(C)[C@@H]1Cc2c1cccc2Br ZINC000584599598 387501275 /nfs/dbraw/zinc/50/12/75/387501275.db2.gz DTYUYHPNIKAJDB-VIFPVBQESA-N 0 0 225.129 3.745 10 0 BHAERN O=C1[C@@H]2CC[C@@H](C2)[C@H]1C/C=C/c1ccccc1 ZINC000584599887 358256496 /nfs/dbraw/zinc/25/64/96/358256496.db2.gz VYSZTBRHWAGVGU-IZWXPINPSA-N 0 0 226.319 3.705 10 0 BHAERN O=C1[C@@H]2CC[C@@H](C2)[C@H]1CCCc1ccccc1 ZINC000584599905 358256389 /nfs/dbraw/zinc/25/63/89/358256389.db2.gz XZWZQJWEGNHNGI-RRFJBIMHSA-N 0 0 228.335 3.625 10 0 BHAERN CCOC(=O)NCC[C@H](C)CCC=C(C)C ZINC000584600902 358257809 /nfs/dbraw/zinc/25/78/09/358257809.db2.gz PEKFMSNIULMZBG-GFCCVEGCSA-N 0 0 227.348 3.505 10 0 BHAERN CCOC(=O)NCC[C@@H](C)CCC=C(C)C ZINC000584600903 358257444 /nfs/dbraw/zinc/25/74/44/358257444.db2.gz PEKFMSNIULMZBG-LBPRGKRZSA-N 0 0 227.348 3.505 10 0 BHAERN C/C=C\c1ccccc1CNC(=O)OC(C)(C)C ZINC000584600973 358257536 /nfs/dbraw/zinc/25/75/36/358257536.db2.gz DGZCFNYHCWKBOA-YVMONPNESA-N 0 0 247.338 3.744 10 0 BHAERN O=C(Nc1ccccc1)SCc1ccccn1 ZINC000584601138 358258100 /nfs/dbraw/zinc/25/81/00/358258100.db2.gz SDUUKCDCIKRVQK-UHFFFAOYSA-N 0 0 244.319 3.547 10 0 BHAERN C[C@@H]1CC[C@H](O)[C@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000584601226 358258362 /nfs/dbraw/zinc/25/83/62/358258362.db2.gz BXHKFASLJXATPT-CHVCVFNOSA-N 0 0 248.410 4.000 10 0 BHAERN C[C@@H]1CC[C@H](O)[C@@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000584601227 358258200 /nfs/dbraw/zinc/25/82/00/358258200.db2.gz BXHKFASLJXATPT-OGZIZXDMSA-N 0 0 248.410 4.000 10 0 BHAERN C[C@@H]1CC[C@@H](O)[C@@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000584601228 358258173 /nfs/dbraw/zinc/25/81/73/358258173.db2.gz BXHKFASLJXATPT-QSWJXUFGSA-N 0 0 248.410 4.000 10 0 BHAERN C[C@@H]1CC[C@@H](O)[C@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000584601229 358258213 /nfs/dbraw/zinc/25/82/13/358258213.db2.gz BXHKFASLJXATPT-ZNDBXWAZSA-N 0 0 248.410 4.000 10 0 BHAERN C[C@@H]1C[C@H](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1O ZINC000584601250 358258265 /nfs/dbraw/zinc/25/82/65/358258265.db2.gz FKXPADDIDMJHJK-CHVCVFNOSA-N 0 0 248.410 4.000 10 0 BHAERN C[C@@H]1C[C@@H](C23CC4CC(CC(C4)C2)C3)CC[C@@H]1O ZINC000584601251 358258410 /nfs/dbraw/zinc/25/84/10/358258410.db2.gz FKXPADDIDMJHJK-OGZIZXDMSA-N 0 0 248.410 4.000 10 0 BHAERN C[C@@H]1C[C@@H](C23CC4CC(CC(C4)C2)C3)CC[C@H]1O ZINC000584601252 358258168 /nfs/dbraw/zinc/25/81/68/358258168.db2.gz FKXPADDIDMJHJK-QSWJXUFGSA-N 0 0 248.410 4.000 10 0 BHAERN C[C@@H]1C[C@H](C23CC4CC(CC(C4)C2)C3)CC[C@H]1O ZINC000584601253 358258210 /nfs/dbraw/zinc/25/82/10/358258210.db2.gz FKXPADDIDMJHJK-ZNDBXWAZSA-N 0 0 248.410 4.000 10 0 BHAERN C[C@@H]1CC[C@@H](C23CC4CC(CC(C4)C2)C3)[C@@H](O)C1 ZINC000584601328 358258381 /nfs/dbraw/zinc/25/83/81/358258381.db2.gz MTFWSLJFJGRNOE-CHVCVFNOSA-N 0 0 248.410 4.000 10 0 BHAERN O=C1CCCC[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000584601381 358257987 /nfs/dbraw/zinc/25/79/87/358257987.db2.gz KZUQZGIXJKBILG-IXUJDMMCSA-N 0 0 232.367 3.962 10 0 BHAERN O=C1CCCC[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000584601382 358258059 /nfs/dbraw/zinc/25/80/59/358258059.db2.gz KZUQZGIXJKBILG-MHCOZEDOSA-N 0 0 232.367 3.962 10 0 BHAERN C[C@@H]1CC[C@H](C23CC4CC(CC(C4)C2)C3)[C@@H](O)C1 ZINC000584601410 358258192 /nfs/dbraw/zinc/25/81/92/358258192.db2.gz MTFWSLJFJGRNOE-OGZIZXDMSA-N 0 0 248.410 4.000 10 0 BHAERN C[C@@H]1CC[C@H](C23CC4CC(CC(C4)C2)C3)[C@H](O)C1 ZINC000584601411 358258104 /nfs/dbraw/zinc/25/81/04/358258104.db2.gz MTFWSLJFJGRNOE-QSWJXUFGSA-N 0 0 248.410 4.000 10 0 BHAERN C[C@@H]1CC[C@@H](C23CC4CC(CC(C4)C2)C3)[C@H](O)C1 ZINC000584601412 358258085 /nfs/dbraw/zinc/25/80/85/358258085.db2.gz MTFWSLJFJGRNOE-ZNDBXWAZSA-N 0 0 248.410 4.000 10 0 BHAERN CCCCN1CC[C@H]2CCc3cccc1c32 ZINC000584601474 358258733 /nfs/dbraw/zinc/25/87/33/358258733.db2.gz VFNJVHLNZRTTRG-CYBMUJFWSA-N 0 0 215.340 3.727 10 0 BHAERN CCCCN1CC[C@@H]2CCc3cccc1c32 ZINC000584601475 358258769 /nfs/dbraw/zinc/25/87/69/358258769.db2.gz VFNJVHLNZRTTRG-ZDUSSCGKSA-N 0 0 215.340 3.727 10 0 BHAERN O[C@H]1CC[C@@H](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000584601492 358258755 /nfs/dbraw/zinc/25/87/55/358258755.db2.gz UAFOEMSXUDSHKS-HKTOBQICSA-N 0 0 234.383 3.754 10 0 BHAERN O[C@H]1CC[C@H](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000584601497 358258899 /nfs/dbraw/zinc/25/88/99/358258899.db2.gz UAFOEMSXUDSHKS-WOCKKYQGSA-N 0 0 234.383 3.754 10 0 BHAERN CC(=O)SCCCCc1c[nH]c2ccccc12 ZINC000584601588 358258961 /nfs/dbraw/zinc/25/89/61/358258961.db2.gz ALVDVFYUCNTVCC-UHFFFAOYSA-N 0 0 247.363 3.770 10 0 BHAERN O[C@@H]1Cc2ccccc2Sc2ccc(F)cc21 ZINC000584601719 358258711 /nfs/dbraw/zinc/25/87/11/358258711.db2.gz ACPSYNBPSXNXER-GFCCVEGCSA-N 0 0 246.306 3.566 10 0 BHAERN O[C@H]1Cc2ccccc2Sc2ccc(F)cc21 ZINC000584601722 358258578 /nfs/dbraw/zinc/25/85/78/358258578.db2.gz ACPSYNBPSXNXER-LBPRGKRZSA-N 0 0 246.306 3.566 10 0 BHAERN CCCC[C@H](F)CP(=O)(OCC)OCC ZINC000584601748 358259473 /nfs/dbraw/zinc/25/94/73/358259473.db2.gz BSOSEDIRHKIWKV-JTQLQIEISA-N 0 0 240.255 3.781 10 0 BHAERN CCCC[C@@H](F)CP(=O)(OCC)OCC ZINC000584601760 358259348 /nfs/dbraw/zinc/25/93/48/358259348.db2.gz BSOSEDIRHKIWKV-SNVBAGLBSA-N 0 0 240.255 3.781 10 0 BHAERN CCOC(=O)[C@@H]1C[C@H]1c1csc2ccccc21 ZINC000584601807 358259530 /nfs/dbraw/zinc/25/95/30/358259530.db2.gz FWMGPHLRMROSPD-GHMZBOCLSA-N 0 0 246.331 3.568 10 0 BHAERN CCOC(=O)[C@H]1C[C@H]1c1csc2ccccc21 ZINC000584601813 358259416 /nfs/dbraw/zinc/25/94/16/358259416.db2.gz FWMGPHLRMROSPD-MNOVXSKESA-N 0 0 246.331 3.568 10 0 BHAERN CCOC(=O)[C@H]1C[C@@H]1c1csc2ccccc21 ZINC000584601817 358259334 /nfs/dbraw/zinc/25/93/34/358259334.db2.gz FWMGPHLRMROSPD-QWRGUYRKSA-N 0 0 246.331 3.568 10 0 BHAERN CCOC(=O)[C@@H]1C[C@@H]1c1csc2ccccc21 ZINC000584601818 358259548 /nfs/dbraw/zinc/25/95/48/358259548.db2.gz FWMGPHLRMROSPD-WDEREUQCSA-N 0 0 246.331 3.568 10 0 BHAERN COc1ccc2c(c1)Cc1ccccc1CS2 ZINC000584601935 358259349 /nfs/dbraw/zinc/25/93/49/358259349.db2.gz DUWNVUCMVKVPGK-UHFFFAOYSA-N 0 0 242.343 3.892 10 0 BHAERN C=C(c1cccs1)P(=O)(OCC)OCC ZINC000584601952 358104758 /nfs/dbraw/zinc/10/47/58/358104758.db2.gz HFVLMLPOFLAXAG-UHFFFAOYSA-N 0 0 246.268 3.985 10 0 BHAERN CCOP(=O)(C/C=C/C(C)(C)C)OCC ZINC000584601987 358259564 /nfs/dbraw/zinc/25/95/64/358259564.db2.gz IZCWNGQPSDFHLR-CMDGGOBGSA-N 0 0 234.276 3.855 10 0 BHAERN Cc1ccc2c(c1C)Nc1ccccc1C(=O)O2 ZINC000584602073 358259356 /nfs/dbraw/zinc/25/93/56/358259356.db2.gz OCGFIBRQUADOIO-UHFFFAOYSA-N 0 0 239.274 3.580 10 0 BHAERN CCOP(=O)(Nc1cccc(C)c1)OCC ZINC000584602180 358260026 /nfs/dbraw/zinc/26/00/26/358260026.db2.gz PKBNMYDGJAMEMI-UHFFFAOYSA-N 0 0 243.243 3.588 10 0 BHAERN C[Si](C)(CCCC(F)(F)F)c1ccccc1 ZINC000584602254 358260099 /nfs/dbraw/zinc/26/00/99/358260099.db2.gz LFBLITQIBLRBNF-UHFFFAOYSA-N 0 0 246.348 3.945 10 0 BHAERN O=C1C2(CCCC2)c2ccccc2C12CCCC2 ZINC000584602355 358260104 /nfs/dbraw/zinc/26/01/04/358260104.db2.gz VQSYCROMNHJYGY-UHFFFAOYSA-N 0 0 240.346 3.893 10 0 BHAERN CCCCC[C@H](CC)P(=O)(OC)OC ZINC000584602425 358259989 /nfs/dbraw/zinc/25/99/89/358259989.db2.gz FWMXLIHAMJNJNE-JTQLQIEISA-N 0 0 222.265 3.831 10 0 BHAERN CCCCC[C@@H](CC)P(=O)(OC)OC ZINC000584602428 358259941 /nfs/dbraw/zinc/25/99/41/358259941.db2.gz FWMXLIHAMJNJNE-SNVBAGLBSA-N 0 0 222.265 3.831 10 0 BHAERN CCCCCC[C@H](C)P(=O)(OC)OC ZINC000584602641 358260665 /nfs/dbraw/zinc/26/06/65/358260665.db2.gz QUQNCDYVMCPWHV-JTQLQIEISA-N 0 0 222.265 3.831 10 0 BHAERN CCCCCC[C@@H](C)P(=O)(OC)OC ZINC000584602642 358260662 /nfs/dbraw/zinc/26/06/62/358260662.db2.gz QUQNCDYVMCPWHV-SNVBAGLBSA-N 0 0 222.265 3.831 10 0 BHAERN COP(=O)(OC)C(C)=C=Cc1ccccc1 ZINC000584602739 358260648 /nfs/dbraw/zinc/26/06/48/358260648.db2.gz USKAMQXPFPSCNE-UHFFFAOYSA-N 0 0 238.223 3.688 10 0 BHAERN CC(=O)c1ccc2c(c1)OCc1ccccc1O2 ZINC000584603051 358261503 /nfs/dbraw/zinc/26/15/03/358261503.db2.gz JZHZNSFVZZARAW-UHFFFAOYSA-N 0 0 240.258 3.574 10 0 BHAERN CCc1cc(C(C)=O)cc(CC)c1CC ZINC000584603312 358261924 /nfs/dbraw/zinc/26/19/24/358261924.db2.gz UVXLQKNGJRMYLO-UHFFFAOYSA-N 0 0 204.313 3.576 10 0 BHAERN CC(=O)c1cccc2c1Nc1ccccc1CC2 ZINC000584603318 358261969 /nfs/dbraw/zinc/26/19/69/358261969.db2.gz VLZVOKNTLOPTOV-UHFFFAOYSA-N 0 0 237.302 3.731 10 0 BHAERN CC1(C)CC(C)(C)[C@H](c2ccccc2)C1=O ZINC000584603403 358261774 /nfs/dbraw/zinc/26/17/74/358261774.db2.gz UFEQEHZXBVBZBZ-GFCCVEGCSA-N 0 0 216.324 3.795 10 0 BHAERN CC1(C)CC(C)(C)[C@@H](c2ccccc2)C1=O ZINC000584603404 358262036 /nfs/dbraw/zinc/26/20/36/358262036.db2.gz UFEQEHZXBVBZBZ-LBPRGKRZSA-N 0 0 216.324 3.795 10 0 BHAERN CC(=O)c1cccc(-c2ccc(Cl)cc2)c1O ZINC000584603546 358262369 /nfs/dbraw/zinc/26/23/69/358262369.db2.gz CZTVBNCCLTXOJC-UHFFFAOYSA-N 0 0 246.693 3.915 10 0 BHAERN CC(=O)c1ccc2c(c1)Cc1ccccc1S2 ZINC000584603591 358262498 /nfs/dbraw/zinc/26/24/98/358262498.db2.gz HSTBGHOMJBVBIW-UHFFFAOYSA-N 0 0 240.327 3.945 10 0 BHAERN CC(=O)c1ccc(-c2ccc(C(C)=O)cc2)s1 ZINC000584603624 358262486 /nfs/dbraw/zinc/26/24/86/358262486.db2.gz FOXXDTFJNVIVDX-UHFFFAOYSA-N 0 0 244.315 3.820 10 0 BHAERN CCCOc1ccc(C(C)=O)cc1C(F)(F)F ZINC000584603643 358262435 /nfs/dbraw/zinc/26/24/35/358262435.db2.gz GAZFSEDAGMDGKH-UHFFFAOYSA-N 0 0 246.228 3.697 10 0 BHAERN CC(=O)c1ccc(C(C)(C)C(F)(F)F)cc1 ZINC000584603646 358262381 /nfs/dbraw/zinc/26/23/81/358262381.db2.gz FYBLLBJWSUIIHF-UHFFFAOYSA-N 0 0 230.229 3.729 10 0 BHAERN CC(=O)c1ccc(O)c(-c2ccc(Cl)cc2)c1 ZINC000584603713 358262469 /nfs/dbraw/zinc/26/24/69/358262469.db2.gz PSULTINZDDUSQX-UHFFFAOYSA-N 0 0 246.693 3.915 10 0 BHAERN CC(=O)[C@@H]1C[C@H]1C1=C(C)CCCC1(C)C ZINC000584603741 358262252 /nfs/dbraw/zinc/26/22/52/358262252.db2.gz RDSJDJHOHAIRNJ-NWDGAFQWSA-N 0 0 206.329 3.738 10 0 BHAERN CCCc1c(O)ccc2cc(C(C)=O)ccc21 ZINC000584603796 358262657 /nfs/dbraw/zinc/26/26/57/358262657.db2.gz ULOOXJKJIMDFHD-UHFFFAOYSA-N 0 0 228.291 3.701 10 0 BHAERN O=CNc1ccccc1SCc1ccccc1 ZINC000584604123 358263003 /nfs/dbraw/zinc/26/30/03/358263003.db2.gz OLHSVGYFVQMRBB-UHFFFAOYSA-N 0 0 243.331 3.547 10 0 BHAERN CC1(C)Cc2cc3c(Cl)ccnc3cc2O1 ZINC000584604130 358262903 /nfs/dbraw/zinc/26/29/03/358262903.db2.gz ORGHLNLTUSHUBE-UHFFFAOYSA-N 0 0 233.698 3.602 10 0 BHAERN CC1(C)Cc2cc3nccc(Cl)c3cc2O1 ZINC000584604197 358263128 /nfs/dbraw/zinc/26/31/28/358263128.db2.gz SEAIGERODFVBKW-UHFFFAOYSA-N 0 0 233.698 3.602 10 0 BHAERN Cc1cc(Oc2cccc(Cl)c2)ccc1NN ZINC000584604803 358263765 /nfs/dbraw/zinc/26/37/65/358263765.db2.gz HVMCUPCQRHTHGQ-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN CCCCCCC(=O)NOCc1cccc(C)c1 ZINC000584604924 358263739 /nfs/dbraw/zinc/26/37/39/358263739.db2.gz HJUXSJPSNPSKFY-UHFFFAOYSA-N 0 0 249.354 3.513 10 0 BHAERN O=C(c1ccsc1)c1ccc(C2CC2)cc1 ZINC000584605309 358264589 /nfs/dbraw/zinc/26/45/89/358264589.db2.gz MGRTXPDWKBNQJB-UHFFFAOYSA-N 0 0 228.316 3.857 10 0 BHAERN O=Cc1c2ccccc2n2c1-c1ccccc1CC2 ZINC000584605664 358264792 /nfs/dbraw/zinc/26/47/92/358264792.db2.gz AFQRLNHTLTVPPX-UHFFFAOYSA-N 0 0 247.297 3.677 10 0 BHAERN Cc1cc(Cl)cc2c(C3CCCC3)ncn21 ZINC000584605714 358264834 /nfs/dbraw/zinc/26/48/34/358264834.db2.gz CQHDLINGXACKOZ-UHFFFAOYSA-N 0 0 234.730 3.954 10 0 BHAERN Clc1nc2c3c(cccc3n1)-c1ccccc1-2 ZINC000584605745 358264532 /nfs/dbraw/zinc/26/45/32/358264532.db2.gz FMFUZVXGDOLPLZ-UHFFFAOYSA-N 0 0 238.677 3.931 10 0 BHAERN Cc1ccc(-c2cccc(C=O)c2[C@@H]2CO2)cc1 ZINC000584605957 358265445 /nfs/dbraw/zinc/26/54/45/358265445.db2.gz BNDUPPWRFINBCR-HNNXBMFYSA-N 0 0 238.286 3.546 10 0 BHAERN Cc1ccc(-c2cccc(C=O)c2[C@H]2CO2)cc1 ZINC000584605959 358265594 /nfs/dbraw/zinc/26/55/94/358265594.db2.gz BNDUPPWRFINBCR-OAHLLOKOSA-N 0 0 238.286 3.546 10 0 BHAERN CC[C@@H](C)c1ncn2c1cc(Cl)cc2C ZINC000584606024 358265491 /nfs/dbraw/zinc/26/54/91/358265491.db2.gz XBDGVJJNFBGHJG-MRVPVSSYSA-N 0 0 222.719 3.810 10 0 BHAERN CC[C@H](C)c1ncn2c1cc(Cl)cc2C ZINC000584606030 358265458 /nfs/dbraw/zinc/26/54/58/358265458.db2.gz XBDGVJJNFBGHJG-QMMMGPOBSA-N 0 0 222.719 3.810 10 0 BHAERN CSc1ccc2cncc(Cl)c2c1 ZINC000584606179 358265441 /nfs/dbraw/zinc/26/54/41/358265441.db2.gz JWIWEFPVEIKPKR-UHFFFAOYSA-N 0 0 209.701 3.610 10 0 BHAERN O=C(c1ccc2c(c1)Cc1ccccc1-2)C1CC1 ZINC000584606210 358265591 /nfs/dbraw/zinc/26/55/91/358265591.db2.gz AWIPLVFGVWLOGZ-UHFFFAOYSA-N 0 0 234.298 3.851 10 0 BHAERN C=Cc1cc(Cl)c(Cl)cc1NC(=O)OC ZINC000584606294 358265375 /nfs/dbraw/zinc/26/53/75/358265375.db2.gz NJKXLSLEJPPTBA-UHFFFAOYSA-N 0 0 246.093 3.815 10 0 BHAERN C=C(OCC)c1nc(Cl)cc2ccccc21 ZINC000584606490 358265903 /nfs/dbraw/zinc/26/59/03/358265903.db2.gz YGIVZADMWSRFID-UHFFFAOYSA-N 0 0 233.698 3.895 10 0 BHAERN CCCC[P@](=O)(OC)Oc1ccccc1 ZINC000584606978 358267353 /nfs/dbraw/zinc/26/73/53/358267353.db2.gz BNTYPMKFAKZTCL-HNNXBMFYSA-N 0 0 228.228 3.705 10 0 BHAERN CCCC[P@@](=O)(OC)Oc1ccccc1 ZINC000584606979 358267428 /nfs/dbraw/zinc/26/74/28/358267428.db2.gz BNTYPMKFAKZTCL-OAHLLOKOSA-N 0 0 228.228 3.705 10 0 BHAERN COC(=O)n1ccc2cc(Cl)c(Cl)cc21 ZINC000584607007 358267339 /nfs/dbraw/zinc/26/73/39/358267339.db2.gz OQRCMUJDTVXAGG-UHFFFAOYSA-N 0 0 244.077 3.563 10 0 BHAERN CSc1cc2cc(NC(C)=O)ccc2s1 ZINC000584607112 358267337 /nfs/dbraw/zinc/26/73/37/358267337.db2.gz FMVXZVVGYKEPLW-UHFFFAOYSA-N 0 0 237.349 3.582 10 0 BHAERN CCCC[C@@H]1C[C@H]1P(=O)(OCC)OCC ZINC000584607163 358267232 /nfs/dbraw/zinc/26/72/32/358267232.db2.gz BLSSPUPWSRZHCE-GHMZBOCLSA-N 0 0 234.276 3.831 10 0 BHAERN C=C=C(CCc1ccccc1)C(F)(F)F ZINC000584608881 358269061 /nfs/dbraw/zinc/26/90/61/358269061.db2.gz XVMHPBVKKFXQRW-UHFFFAOYSA-N 0 0 212.214 3.893 10 0 BHAERN Fc1ccc(CCSC(F)(F)F)cc1 ZINC000584609069 358269779 /nfs/dbraw/zinc/26/97/79/358269779.db2.gz JGHMAODQYIOYBT-UHFFFAOYSA-N 0 0 224.222 3.621 10 0 BHAERN O=C(c1ccc[nH]1)c1cc2c(cccc2F)s1 ZINC000584609083 358269918 /nfs/dbraw/zinc/26/99/18/358269918.db2.gz KSLRWHRMUCNDSQ-UHFFFAOYSA-N 0 0 245.278 3.600 10 0 BHAERN FC(F)(F)c1ccc(/C=C/n2ccnc2)cc1 ZINC000584609225 358270531 /nfs/dbraw/zinc/27/05/31/358270531.db2.gz AQSONNWILQWYBY-FNORWQNLSA-N 0 0 238.212 3.530 10 0 BHAERN C/C(=C\C(F)(F)F)c1ccc(C)cc1 ZINC000584609268 358270649 /nfs/dbraw/zinc/27/06/49/358270649.db2.gz DLLQPMNBZDKIDH-VQHVLOKHSA-N 0 0 200.203 3.961 10 0 BHAERN FC(F)/C=C/c1ccc(Br)cc1 ZINC000584609327 358270713 /nfs/dbraw/zinc/27/07/13/358270713.db2.gz HQJIDHJLMXGTFZ-ZZXKWVIFSA-N 0 0 233.055 3.727 10 0 BHAERN C[Si](C)(C)/C=C/c1cc(F)cc(F)c1 ZINC000584609344 358270724 /nfs/dbraw/zinc/27/07/24/358270724.db2.gz JDWDKGKXGKRIEF-SNAWJCMRSA-N 0 0 212.315 3.855 10 0 BHAERN CC/C=C/CC(=O)c1ccc(Cl)cc1 ZINC000584609361 358270375 /nfs/dbraw/zinc/27/03/75/358270375.db2.gz JSLOFWJXAMVJLA-ONEGZZNKSA-N 0 0 208.688 3.879 10 0 BHAERN COc1cccc(/C=C/CSC(F)(F)F)c1 ZINC000584609436 358270381 /nfs/dbraw/zinc/27/03/81/358270381.db2.gz NZKUELYWBPOBBD-HWKANZROSA-N 0 0 248.269 3.961 10 0 BHAERN O=[N+]([O-])/C=C/c1sc2ccccc2c1Cl ZINC000584609496 358271093 /nfs/dbraw/zinc/27/10/93/358271093.db2.gz ADEWEQFPSYTYNW-AATRIKPKSA-N 0 0 239.683 3.802 10 0 BHAERN Cc1c(/C=C/[N+](=O)[O-])sc2ccc(C)cc12 ZINC000584609524 358271143 /nfs/dbraw/zinc/27/11/43/358271143.db2.gz DPDVJMMKAIYQHD-AATRIKPKSA-N 0 0 233.292 3.766 10 0 BHAERN COc1ccc(/C=C/CC(F)(F)F)cc1 ZINC000584609662 358271055 /nfs/dbraw/zinc/27/10/55/358271055.db2.gz VCIRREWHIBOQJT-NSCUHMNNSA-N 0 0 216.202 3.661 10 0 BHAERN Cc1ccc(/C=C/C(F)(F)F)cc1C ZINC000584609741 358271117 /nfs/dbraw/zinc/27/11/17/358271117.db2.gz YFBCYDYHWKTVPF-AATRIKPKSA-N 0 0 200.203 3.879 10 0 BHAERN CC(=O)Oc1ccc(/C=C/CC(F)(F)F)cc1 ZINC000584609778 358271844 /nfs/dbraw/zinc/27/18/44/358271844.db2.gz SPPZZXCKDYAMEB-NSCUHMNNSA-N 0 0 244.212 3.578 10 0 BHAERN CCCC/C(CC)=C(/Cl)CN(C)C ZINC000584609829 358271746 /nfs/dbraw/zinc/27/17/46/358271746.db2.gz BINQBZKCIDABMD-ZHACJKMWSA-N 0 0 203.757 3.641 10 0 BHAERN CC(=O)OC/C=C/c1cccc(Cl)c1Cl ZINC000584609866 358272031 /nfs/dbraw/zinc/27/20/31/358272031.db2.gz JCMONISYMBVAIA-HWKANZROSA-N 0 0 245.105 3.570 10 0 BHAERN FC(F)(F)/C=C/c1cnc2ccccc2c1 ZINC000584609868 358271730 /nfs/dbraw/zinc/27/17/30/358271730.db2.gz JPHMITSCLCXJMW-AATRIKPKSA-N 0 0 223.197 3.810 10 0 BHAERN CC(=O)OC/C=C/c1cc(Cl)ccc1Cl ZINC000584609887 358272028 /nfs/dbraw/zinc/27/20/28/358272028.db2.gz MENZECASXLMCKU-NSCUHMNNSA-N 0 0 245.105 3.570 10 0 BHAERN CCCCCCS/C=C/CCCO ZINC000584610008 358272661 /nfs/dbraw/zinc/27/26/61/358272661.db2.gz JGCLEOAOWORFJV-DHZHZOJOSA-N 0 0 202.363 3.586 10 0 BHAERN Cc1c(/C=C/[N+](=O)[O-])oc2ccc(Cl)cc12 ZINC000584610070 358272380 /nfs/dbraw/zinc/27/23/80/358272380.db2.gz NOJKNEFXIMDKMO-SNAWJCMRSA-N 0 0 237.642 3.642 10 0 BHAERN CCOP(=O)(C/C=C/C=C(C)C)OCC ZINC000584610164 358272696 /nfs/dbraw/zinc/27/26/96/358272696.db2.gz SGXQSYOIKQUCPV-BQYQJAHWSA-N 0 0 232.260 3.775 10 0 BHAERN Cc1c(/C=C/[N+](=O)[O-])oc2cc(Cl)ccc12 ZINC000584610179 358272361 /nfs/dbraw/zinc/27/23/61/358272361.db2.gz WMLBKRHIBOTZFJ-SNAWJCMRSA-N 0 0 237.642 3.642 10 0 BHAERN Cc1c(/C=C/[N+](=O)[O-])sc2ccc(F)cc12 ZINC000584610183 358272501 /nfs/dbraw/zinc/27/25/01/358272501.db2.gz XMVQCAJTBCWWOR-SNAWJCMRSA-N 0 0 237.255 3.596 10 0 BHAERN O=C1CCCC[C@@]1(F)c1ccc(Cl)cc1 ZINC000584610353 358273289 /nfs/dbraw/zinc/27/32/89/358273289.db2.gz XBVTYSQXRDUTLN-GFCCVEGCSA-N 0 0 226.678 3.648 10 0 BHAERN FC(F)/C=C\c1ccc(Br)cc1 ZINC000584610967 358274279 /nfs/dbraw/zinc/27/42/79/358274279.db2.gz HQJIDHJLMXGTFZ-UTCJRWHESA-N 0 0 233.055 3.727 10 0 BHAERN Cc1ccc(/C=C(\F)C(F)(F)F)cc1 ZINC000584610985 358274618 /nfs/dbraw/zinc/27/46/18/358274618.db2.gz ITBWXDPODMHATN-TWGQIWQCSA-N 0 0 204.166 3.868 10 0 BHAERN C1=C[C@@H](c2csc3ccccc32)OC1 ZINC000584611031 358274969 /nfs/dbraw/zinc/27/49/69/358274969.db2.gz XHKZCOYCGIBRTH-NSHDSACASA-N 0 0 202.278 3.529 10 0 BHAERN Cc1ccc(/C(F)=C/Br)cc1 ZINC000584611052 358275180 /nfs/dbraw/zinc/27/51/80/358275180.db2.gz LKDLHWARABXEPQ-TWGQIWQCSA-N 0 0 215.065 3.658 10 0 BHAERN C/C=C(/C)CC(=O)c1ccc(Cl)cc1 ZINC000584611106 358275224 /nfs/dbraw/zinc/27/52/24/358275224.db2.gz HJHUZHONWPLNRX-OQFOIZHKSA-N 0 0 208.688 3.879 10 0 BHAERN COc1ccc(/C=C(\F)C(F)(F)F)cc1 ZINC000584611183 358274863 /nfs/dbraw/zinc/27/48/63/358274863.db2.gz UHRWPHYSKNPIOZ-TWGQIWQCSA-N 0 0 220.165 3.568 10 0 BHAERN Cc1ccc(/C=C\Br)c(C)c1 ZINC000584611199 358274965 /nfs/dbraw/zinc/27/49/65/358274965.db2.gz XJUXMKBPSJZIFF-WAYWQWQTSA-N 0 0 211.102 3.669 10 0 BHAERN C/C=C(/C)CC(=O)c1cccc(Cl)c1 ZINC000584611274 358275175 /nfs/dbraw/zinc/27/51/75/358275175.db2.gz XZWUAQZZUAJIMI-OQFOIZHKSA-N 0 0 208.688 3.879 10 0 BHAERN CCCCCCS/C=C\CCCO ZINC000584611506 358275961 /nfs/dbraw/zinc/27/59/61/358275961.db2.gz JGCLEOAOWORFJV-FLIBITNWSA-N 0 0 202.363 3.586 10 0 BHAERN COc1ccc(-c2c(C)cccc2C)cc1C=O ZINC000584611513 358275465 /nfs/dbraw/zinc/27/54/65/358275465.db2.gz DRNAZEYCFGIHCJ-UHFFFAOYSA-N 0 0 240.302 3.792 10 0 BHAERN CC(=O)Oc1ccccc1-c1ccc(Cl)cc1 ZINC000584611770 358275623 /nfs/dbraw/zinc/27/56/23/358275623.db2.gz YAFTXYFDBDGOHI-UHFFFAOYSA-N 0 0 246.693 3.932 10 0 BHAERN CCOP(=O)(C/C=C\C=C(C)C)OCC ZINC000584611963 358275891 /nfs/dbraw/zinc/27/58/91/358275891.db2.gz SGXQSYOIKQUCPV-FPLPWBNLSA-N 0 0 232.260 3.775 10 0 BHAERN FC(F)(F)SC/C=C\c1ccccc1 ZINC000584611991 358275830 /nfs/dbraw/zinc/27/58/30/358275830.db2.gz WAGLXIBKAIXORO-DAXSKMNVSA-N 0 0 218.243 3.953 10 0 BHAERN S=c1sc2cc3nccnc3cc2s1 ZINC000584612579 358275750 /nfs/dbraw/zinc/27/57/50/358275750.db2.gz DOHSBNDJGMHCLQ-UHFFFAOYSA-N 0 0 236.346 3.635 10 0 BHAERN Cc1ccc2c(c1)C(=O)[C@H](c1ccccc1)CC2 ZINC000584612864 358276327 /nfs/dbraw/zinc/27/63/27/358276327.db2.gz PMYYDEDKBDNEDH-HNNXBMFYSA-N 0 0 236.314 3.908 10 0 BHAERN Cc1ccc2c(c1)C(=O)[C@@H](c1ccccc1)CC2 ZINC000584612867 358276369 /nfs/dbraw/zinc/27/63/69/358276369.db2.gz PMYYDEDKBDNEDH-OAHLLOKOSA-N 0 0 236.314 3.908 10 0 BHAERN O=C1c2ccccc2CC[C@H]1c1ccccc1F ZINC000584612966 358277043 /nfs/dbraw/zinc/27/70/43/358277043.db2.gz AIGSSKZCIBLOAS-AWEZNQCLSA-N 0 0 240.277 3.738 10 0 BHAERN O=C1c2ccccc2CC[C@@H]1c1ccccc1F ZINC000584612967 358276861 /nfs/dbraw/zinc/27/68/61/358276861.db2.gz AIGSSKZCIBLOAS-CQSZACIVSA-N 0 0 240.277 3.738 10 0 BHAERN Nc1ccc2[nH]cc(-c3ccc4cc[nH]c4c3)c2c1 ZINC000584613120 358277001 /nfs/dbraw/zinc/27/70/01/358277001.db2.gz CAJGLTUZXPMCHF-UHFFFAOYSA-N 0 0 247.301 3.898 10 0 BHAERN C[Si](C)(C)C(F)(F)[C@@H]1C=CCCC1 ZINC000584613129 358277025 /nfs/dbraw/zinc/27/70/25/358277025.db2.gz DGQSTWDMYLEKRR-SECBINFHSA-N 0 0 204.336 3.855 10 0 BHAERN C[Si](C)(C)C(F)(F)[C@H]1C=CCCC1 ZINC000584613130 358276855 /nfs/dbraw/zinc/27/68/55/358276855.db2.gz DGQSTWDMYLEKRR-VIFPVBQESA-N 0 0 204.336 3.855 10 0 BHAERN C=C=C(c1ccc(C(C)=O)cc1)C(F)(F)F ZINC000584613355 358277715 /nfs/dbraw/zinc/27/77/15/358277715.db2.gz LONWMELWVIIASA-UHFFFAOYSA-N 0 0 226.197 3.620 10 0 BHAERN Cc1ccn(-c2ccc(Br)cc2)c1 ZINC000584613407 358277582 /nfs/dbraw/zinc/27/75/82/358277582.db2.gz OTEQJFYYGDQUNR-UHFFFAOYSA-N 0 0 236.112 3.548 10 0 BHAERN OC1(CCCC(F)(F)Cl)CCCCC1 ZINC000584613501 358277389 /nfs/dbraw/zinc/27/73/89/358277389.db2.gz VPHLLTOHHLASIF-UHFFFAOYSA-N 0 0 226.694 3.684 10 0 BHAERN CC(=O)c1ccc2c(c1)[nH]c1ccsc12 ZINC000584613600 358277833 /nfs/dbraw/zinc/27/78/33/358277833.db2.gz RWKUAAMOCDISAF-UHFFFAOYSA-N 0 0 215.277 3.585 10 0 BHAERN CC(C)CCOP1(=O)C[C@@H](C)[C@H](C)C1 ZINC000584613684 358277848 /nfs/dbraw/zinc/27/78/48/358277848.db2.gz DJNPIRCOMHBZLT-GHMZBOCLSA-N 0 0 218.277 3.613 10 0 BHAERN CC(C)CCO[P@@]1(=O)C[C@H](C)[C@H](C)C1 ZINC000584613692 358277830 /nfs/dbraw/zinc/27/78/30/358277830.db2.gz DJNPIRCOMHBZLT-GNXNZQSNSA-N 0 0 218.277 3.613 10 0 BHAERN CC(C)CCOP1(=O)C[C@H](C)[C@@H](C)C1 ZINC000584613693 358277914 /nfs/dbraw/zinc/27/79/14/358277914.db2.gz DJNPIRCOMHBZLT-QWRGUYRKSA-N 0 0 218.277 3.613 10 0 BHAERN CC1=C(C)CP(=O)(OCCC(C)C)C1 ZINC000584613873 398078033 /nfs/dbraw/zinc/07/80/33/398078033.db2.gz OICPRSQRXGLWGG-UHFFFAOYSA-N 0 0 216.261 3.677 10 0 BHAERN CCCCCOP1(=O)CC(C)=C(C)C1 ZINC000584613920 398077824 /nfs/dbraw/zinc/07/78/24/398077824.db2.gz NERMXNYYISEXIZ-UHFFFAOYSA-N 0 0 216.261 3.821 10 0 BHAERN C[Si](C)(C)[C@H]1C[Si](C)(C)[Si]1(C)C ZINC000584613954 398077980 /nfs/dbraw/zinc/07/79/80/398077980.db2.gz PNDQFNHYRMLZMV-SECBINFHSA-N 0 0 216.549 3.743 10 0 BHAERN C[Si](C)(C)[C@@H]1C[Si](C)(C)[Si]1(C)C ZINC000584613957 398077998 /nfs/dbraw/zinc/07/79/98/398077998.db2.gz PNDQFNHYRMLZMV-VIFPVBQESA-N 0 0 216.549 3.743 10 0 BHAERN CC1=CC(C)(C)Nc2c1ccc1cccnc12 ZINC000584614278 358278866 /nfs/dbraw/zinc/27/88/66/358278866.db2.gz YDRPLIROHBQZJW-UHFFFAOYSA-N 0 0 224.307 3.842 10 0 BHAERN C[C@@H]1C[C@@H](c2cccc(N)c2N)CC(C)(C)C1 ZINC000584614289 358278886 /nfs/dbraw/zinc/27/88/86/358278886.db2.gz FTYNEBNCNAXOPF-GHMZBOCLSA-N 0 0 232.371 3.781 10 0 BHAERN C[C@H]1C[C@@H](c2cccc(N)c2N)CC(C)(C)C1 ZINC000584614290 358279067 /nfs/dbraw/zinc/27/90/67/358279067.db2.gz FTYNEBNCNAXOPF-WDEREUQCSA-N 0 0 232.371 3.781 10 0 BHAERN C[C@H]1C[C@@H](Nc2ccccc2N)CC(C)(C)C1 ZINC000584614384 358278935 /nfs/dbraw/zinc/27/89/35/358278935.db2.gz SGDOPDNDAQSWGQ-NWDGAFQWSA-N 0 0 232.371 3.896 10 0 BHAERN C[C@@H]1C[C@@H](Nc2ccccc2N)CC(C)(C)C1 ZINC000584614385 358278987 /nfs/dbraw/zinc/27/89/87/358278987.db2.gz SGDOPDNDAQSWGQ-VXGBXAGGSA-N 0 0 232.371 3.896 10 0 BHAERN Cc1cccc(C(F)(F)C(F)(F)F)c1C ZINC000584614478 358107256 /nfs/dbraw/zinc/10/72/56/358107256.db2.gz QTMGTQSWAKFAMW-UHFFFAOYSA-N 0 0 224.172 3.958 10 0 BHAERN CC1(C)[C@H](N2NC23CCCCC3)[C@]2(C)CC[C@H]1C2 ZINC000584614504 358278803 /nfs/dbraw/zinc/27/88/03/358278803.db2.gz WFHPHJXQCOZPKE-AMLFZTNGSA-N 0 0 248.414 3.682 10 0 BHAERN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1N1NC12CCCCC2 ZINC000584614505 358279012 /nfs/dbraw/zinc/27/90/12/358279012.db2.gz WFHPHJXQCOZPKE-LBAYRNBMSA-N 0 0 248.414 3.682 10 0 BHAERN O[C@H](/C=C/c1cccs1)c1cccs1 ZINC000584614731 358107445 /nfs/dbraw/zinc/10/74/45/358107445.db2.gz ACKDBMMGTPCHMD-BRAIEQGRSA-N 0 0 222.334 3.556 10 0 BHAERN O[C@@H](/C=C/c1cccs1)c1cccs1 ZINC000584614735 358279465 /nfs/dbraw/zinc/27/94/65/358279465.db2.gz ACKDBMMGTPCHMD-PORFMDCZSA-N 0 0 222.334 3.556 10 0 BHAERN CCC(C)(C)c1nc(Cl)nc(C(C)(C)C)n1 ZINC000584614986 358279333 /nfs/dbraw/zinc/27/93/33/358279333.db2.gz GBGBOMLXDLCKJQ-UHFFFAOYSA-N 0 0 241.766 3.510 10 0 BHAERN CCCC/C=C\C1(c2cc(O)cc(O)c2)CC1 ZINC000584615077 358279529 /nfs/dbraw/zinc/27/95/29/358279529.db2.gz NOGWWTGMRJKONG-WAYWQWQTSA-N 0 0 232.323 3.876 10 0 BHAERN C1COC2(CCC(C3CCCCC3)CC2)O1 ZINC000584615571 411170029 /nfs/dbraw/zinc/17/00/29/411170029.db2.gz PUDATRIBTMIDRR-UHFFFAOYSA-N 0 0 224.344 3.500 10 0 BHAERN Cc1ccc(C(F)(F)[Si](C)(C)C)cc1 ZINC000584615682 358280370 /nfs/dbraw/zinc/28/03/70/358280370.db2.gz FYATZMFEKUWSRG-UHFFFAOYSA-N 0 0 214.331 3.964 10 0 BHAERN C[C@@H]1c2ccccc2[C@H]2Nc3ccccc3C(=O)[C@@H]12 ZINC000584615709 358280324 /nfs/dbraw/zinc/28/03/24/358280324.db2.gz JQTLFZWBJXLIKN-HPEXNQPKSA-N 0 0 249.313 3.769 10 0 BHAERN C[C@@H]1c2ccccc2[C@@H]2Nc3ccccc3C(=O)[C@H]21 ZINC000584615710 358280440 /nfs/dbraw/zinc/28/04/40/358280440.db2.gz JQTLFZWBJXLIKN-VFVAKGGASA-N 0 0 249.313 3.769 10 0 BHAERN COc1cccc(C(F)(F)[Si](C)(C)C)c1 ZINC000584615733 358280401 /nfs/dbraw/zinc/28/04/01/358280401.db2.gz NPUOMUYQTCZRGO-UHFFFAOYSA-N 0 0 230.330 3.664 10 0 BHAERN O=C1Cc2cc(Cl)ccc2Cc2ccccc21 ZINC000584615736 358280393 /nfs/dbraw/zinc/28/03/93/358280393.db2.gz OJXGVYFZSXSLEH-UHFFFAOYSA-N 0 0 242.705 3.670 10 0 BHAERN FC(F)(F)c1cc(-n2ccnc2)ccc1Cl ZINC000584615816 358107815 /nfs/dbraw/zinc/10/78/15/358107815.db2.gz WUFLNTPOUXYKKO-UHFFFAOYSA-N 0 0 246.619 3.545 10 0 BHAERN CCCCCC1(Br)CCC1 ZINC000584616213 358280951 /nfs/dbraw/zinc/28/09/51/358280951.db2.gz CPUHSJQHDDWEFK-UHFFFAOYSA-N 0 0 205.139 3.884 10 0 BHAERN CC[C@H](C(=O)c1cccc(O)c1)c1ccccc1 ZINC000584616340 491070092 /nfs/dbraw/zinc/07/00/92/491070092.db2.gz DBVAXCXHPISPKP-HNNXBMFYSA-N 0 0 240.302 3.769 10 0 BHAERN CC[C@@H](C(=O)c1cccc(O)c1)c1ccccc1 ZINC000584616341 491070082 /nfs/dbraw/zinc/07/00/82/491070082.db2.gz DBVAXCXHPISPKP-OAHLLOKOSA-N 0 0 240.302 3.769 10 0 BHAERN CC[C@H](C(=O)c1ccccc1)c1cccc(O)c1 ZINC000584616369 398078405 /nfs/dbraw/zinc/07/84/05/398078405.db2.gz GTMZCXKKZVXKRX-HNNXBMFYSA-N 0 0 240.302 3.769 10 0 BHAERN CC[C@@H](C(=O)c1ccccc1)c1cccc(O)c1 ZINC000584616371 398078442 /nfs/dbraw/zinc/07/84/42/398078442.db2.gz GTMZCXKKZVXKRX-OAHLLOKOSA-N 0 0 240.302 3.769 10 0 BHAERN CC(C)=CCC[C@@H](C)C/C=C(\F)[N+](=O)[O-] ZINC000584616377 398078513 /nfs/dbraw/zinc/07/85/13/398078513.db2.gz CPRXNPBIVYKKBI-MXBGMFSPSA-N 0 0 215.268 3.847 10 0 BHAERN CC(C)=CCC[C@H](C)C/C=C(\F)[N+](=O)[O-] ZINC000584616386 398078409 /nfs/dbraw/zinc/07/84/09/398078409.db2.gz CPRXNPBIVYKKBI-NGPGYTDTSA-N 0 0 215.268 3.847 10 0 BHAERN CCOC(=O)[C@H](C)C1=CC[C@@H](CC(C)C)CC1 ZINC000584616431 398078541 /nfs/dbraw/zinc/07/85/41/398078541.db2.gz HHYNTOFRYZVJGE-CHWSQXEVSA-N 0 0 238.371 3.958 10 0 BHAERN CCOC(=O)[C@H](C)C1=CC[C@H](CC(C)C)CC1 ZINC000584616437 398078424 /nfs/dbraw/zinc/07/84/24/398078424.db2.gz HHYNTOFRYZVJGE-OLZOCXBDSA-N 0 0 238.371 3.958 10 0 BHAERN CCOC(=O)[C@@H](C)C1=CC[C@@H](CC(C)C)CC1 ZINC000584616438 398078419 /nfs/dbraw/zinc/07/84/19/398078419.db2.gz HHYNTOFRYZVJGE-QWHCGFSZSA-N 0 0 238.371 3.958 10 0 BHAERN CCOC(=O)[C@@H](C)C1=CC[C@H](CC(C)C)CC1 ZINC000584616439 398078383 /nfs/dbraw/zinc/07/83/83/398078383.db2.gz HHYNTOFRYZVJGE-STQMWFEESA-N 0 0 238.371 3.958 10 0 BHAERN COc1ccc2c(c1)CC[C@]1(C)C=CC[C@@H]21 ZINC000584617000 358281503 /nfs/dbraw/zinc/28/15/03/358281503.db2.gz GXZPVBKFDYSJDZ-GJZGRUSLSA-N 0 0 214.308 3.691 10 0 BHAERN COc1ccc2c(c1)CC[C@@]1(C)C=CC[C@@H]21 ZINC000584617001 358281456 /nfs/dbraw/zinc/28/14/56/358281456.db2.gz GXZPVBKFDYSJDZ-LSDHHAIUSA-N 0 0 214.308 3.691 10 0 BHAERN COc1ccc2c(c1)CC[C@@H]1CCC[C@@H]21 ZINC000584617049 358282319 /nfs/dbraw/zinc/28/23/19/358282319.db2.gz PXRHTULKUDOZOB-GXFFZTMASA-N 0 0 202.297 3.525 10 0 BHAERN COc1ccc2c(c1)CC[C@H]1CCC[C@@H]21 ZINC000584617052 358282374 /nfs/dbraw/zinc/28/23/74/358282374.db2.gz PXRHTULKUDOZOB-ZWNOBZJWSA-N 0 0 202.297 3.525 10 0 BHAERN CC(C)(C)c1[nH]nc(-c2ccccc2)p1 ZINC000584617086 358282267 /nfs/dbraw/zinc/28/22/67/358282267.db2.gz VCJZHIUSYWGRAG-UHFFFAOYSA-N 0 0 218.240 3.954 10 0 BHAERN COc1ccc2c(c1)CC[C@]1(C)CCC[C@@H]21 ZINC000584617130 358282165 /nfs/dbraw/zinc/28/21/65/358282165.db2.gz ZJJJKCJXBUTZLD-GJZGRUSLSA-N 0 0 216.324 3.915 10 0 BHAERN COc1ccc2c(c1)CC[C@@]1(C)CCC[C@@H]21 ZINC000584617131 358281998 /nfs/dbraw/zinc/28/19/98/358281998.db2.gz ZJJJKCJXBUTZLD-LSDHHAIUSA-N 0 0 216.324 3.915 10 0 BHAERN CN1CCC=C(c2ccccc2)c2ccccc21 ZINC000584617138 358282193 /nfs/dbraw/zinc/28/21/93/358282193.db2.gz LMLNQHLNEJNNEW-UHFFFAOYSA-N 0 0 235.330 3.958 10 0 BHAERN c1ccc([C@H]2CCNc3ccccc3C2)cc1 ZINC000584617339 358282237 /nfs/dbraw/zinc/28/22/37/358282237.db2.gz VCNDBILGQIDTAO-AWEZNQCLSA-N 0 0 223.319 3.829 10 0 BHAERN c1ccc([C@@H]2CCNc3ccccc3C2)cc1 ZINC000584617344 358282330 /nfs/dbraw/zinc/28/23/30/358282330.db2.gz VCNDBILGQIDTAO-CQSZACIVSA-N 0 0 223.319 3.829 10 0 BHAERN CN1C[C@@H](c2ccccc2)CCc2ccccc21 ZINC000584617353 358281935 /nfs/dbraw/zinc/28/19/35/358281935.db2.gz VVNMHJOLKARFQO-INIZCTEOSA-N 0 0 237.346 3.853 10 0 BHAERN CN1C[C@H](c2ccccc2)CCc2ccccc21 ZINC000584617357 358281939 /nfs/dbraw/zinc/28/19/39/358281939.db2.gz VVNMHJOLKARFQO-MRXNPFEDSA-N 0 0 237.346 3.853 10 0 BHAERN c1ccc([C@H]2CCc3ccccc3NC2)cc1 ZINC000584617361 358282369 /nfs/dbraw/zinc/28/23/69/358282369.db2.gz WOICQCHLQFKRQT-HNNXBMFYSA-N 0 0 223.319 3.829 10 0 BHAERN c1ccc([C@@H]2CCc3ccccc3NC2)cc1 ZINC000584617362 358282324 /nfs/dbraw/zinc/28/23/24/358282324.db2.gz WOICQCHLQFKRQT-OAHLLOKOSA-N 0 0 223.319 3.829 10 0 BHAERN CC(=O)O[C@H]1c2cccc3cccc(c23)C1(C)C ZINC000584617734 358283569 /nfs/dbraw/zinc/28/35/69/358283569.db2.gz MPUSGYDMHVCTAU-HNNXBMFYSA-N 0 0 240.302 3.735 10 0 BHAERN CC(=O)O[C@@H]1c2cccc3cccc(c23)C1(C)C ZINC000584617735 358283628 /nfs/dbraw/zinc/28/36/28/358283628.db2.gz MPUSGYDMHVCTAU-OAHLLOKOSA-N 0 0 240.302 3.735 10 0 BHAERN S=c1c2ccccc2nc2n1CCCCCC2 ZINC000584617796 358283692 /nfs/dbraw/zinc/28/36/92/358283692.db2.gz RCKYSUJKWSRQPE-UHFFFAOYSA-N 0 0 244.363 3.882 10 0 BHAERN C1=C2O[C@]23C(=C1)C=Cc1c2ccccc2ccc13 ZINC000584617888 358283547 /nfs/dbraw/zinc/28/35/47/358283547.db2.gz YBIIXDRLFHOUEK-KRWDZBQOSA-N 0 0 230.266 3.916 10 0 BHAERN C1=C2O[C@@]23C(=C1)C=Cc1c2ccccc2ccc13 ZINC000584617889 358283688 /nfs/dbraw/zinc/28/36/88/358283688.db2.gz YBIIXDRLFHOUEK-QGZVFWFLSA-N 0 0 230.266 3.916 10 0 BHAERN O=C1C[C@H](c2ccc(F)cc2)c2cc(F)ccc21 ZINC000584617999 358283563 /nfs/dbraw/zinc/28/35/63/358283563.db2.gz BPUUWNWDBQWPLR-CYBMUJFWSA-N 0 0 244.240 3.683 10 0 BHAERN O=C1C[C@@H](c2ccc(F)cc2)c2cc(F)ccc21 ZINC000584618000 358283551 /nfs/dbraw/zinc/28/35/51/358283551.db2.gz BPUUWNWDBQWPLR-ZDUSSCGKSA-N 0 0 244.240 3.683 10 0 BHAERN O[C@@H]1C[C@H](c2ccc(F)cc2)c2cc(F)ccc21 ZINC000584618031 358283727 /nfs/dbraw/zinc/28/37/27/358283727.db2.gz HAQFFUDXIKHBAR-UKRRQHHQSA-N 0 0 246.256 3.534 10 0 BHAERN O[C@H]1CCc2ccc(C3CCCCC3)cc21 ZINC000584618066 358283634 /nfs/dbraw/zinc/28/36/34/358283634.db2.gz MGESYDGMPQQMNG-HNNXBMFYSA-N 0 0 216.324 3.714 10 0 BHAERN O[C@@H]1CCc2ccc(C3CCCCC3)cc21 ZINC000584618067 358283653 /nfs/dbraw/zinc/28/36/53/358283653.db2.gz MGESYDGMPQQMNG-OAHLLOKOSA-N 0 0 216.324 3.714 10 0 BHAERN O[C@H]1c2ccccc2C[C@@H]1c1ccc(Cl)cc1 ZINC000584618072 358283594 /nfs/dbraw/zinc/28/35/94/358283594.db2.gz MZODINDTLYXZLF-CABCVRRESA-N 0 0 244.721 3.713 10 0 BHAERN O[C@H]1c2ccccc2C[C@H]1c1ccc(Cl)cc1 ZINC000584618073 358283718 /nfs/dbraw/zinc/28/37/18/358283718.db2.gz MZODINDTLYXZLF-GJZGRUSLSA-N 0 0 244.721 3.713 10 0 BHAERN O[C@@H]1c2ccccc2C[C@@H]1c1ccc(Cl)cc1 ZINC000584618074 358283625 /nfs/dbraw/zinc/28/36/25/358283625.db2.gz MZODINDTLYXZLF-HUUCEWRRSA-N 0 0 244.721 3.713 10 0 BHAERN O[C@@H]1c2ccccc2C[C@H]1c1ccc(Cl)cc1 ZINC000584618075 358283684 /nfs/dbraw/zinc/28/36/84/358283684.db2.gz MZODINDTLYXZLF-LSDHHAIUSA-N 0 0 244.721 3.713 10 0 BHAERN O=C1CCc2ccc(C3CCCCC3)cc21 ZINC000584618102 358283555 /nfs/dbraw/zinc/28/35/55/358283555.db2.gz BCMPNQJPGBFHSM-UHFFFAOYSA-N 0 0 214.308 3.863 10 0 BHAERN O[C@]1(c2ccccc2)CCc2cc(Cl)ccc21 ZINC000584618114 358283513 /nfs/dbraw/zinc/28/35/13/358283513.db2.gz PNAKSCWYHOSYFM-HNNXBMFYSA-N 0 0 244.721 3.522 10 0 BHAERN O[C@@]1(c2ccccc2)CCc2cc(Cl)ccc21 ZINC000584618117 358283543 /nfs/dbraw/zinc/28/35/43/358283543.db2.gz PNAKSCWYHOSYFM-OAHLLOKOSA-N 0 0 244.721 3.522 10 0 BHAERN Nc1ccc2c(c1)/C(=C/c1ccccc1)C=C2 ZINC000584618134 358283558 /nfs/dbraw/zinc/28/35/58/358283558.db2.gz DICDOEGAWQIKIR-GXDHUFHOSA-N 0 0 219.287 3.836 10 0 BHAERN CC1(C)CCc2cc(Br)cc(F)c21 ZINC000584618178 358284196 /nfs/dbraw/zinc/28/41/96/358284196.db2.gz GQRIYNSRLLNNQE-UHFFFAOYSA-N 0 0 243.119 3.812 10 0 BHAERN CC(C)[C@@H]1CC(C)(C)c2cccc(N)c21 ZINC000584618205 358284192 /nfs/dbraw/zinc/28/41/92/358284192.db2.gz IQOBVNKOTKOIDY-JTQLQIEISA-N 0 0 203.329 3.690 10 0 BHAERN CC(C)[C@H]1CC(C)(C)c2cccc(N)c21 ZINC000584618206 358284377 /nfs/dbraw/zinc/28/43/77/358284377.db2.gz IQOBVNKOTKOIDY-SNVBAGLBSA-N 0 0 203.329 3.690 10 0 BHAERN Cc1ccc2c(c1)c(C=O)cn2C1CCCC1 ZINC000584618298 358284183 /nfs/dbraw/zinc/28/41/83/358284183.db2.gz GCIZANKRACZWGN-UHFFFAOYSA-N 0 0 227.307 3.877 10 0 BHAERN CCCCC[C@H]1C(=O)c2c(cc(O)cc2O)[C@H]1C ZINC000584618312 358284305 /nfs/dbraw/zinc/28/43/05/358284305.db2.gz TYXLGHQENJLLFU-GXSJLCMTSA-N 0 0 248.322 3.594 10 0 BHAERN CCCCC[C@@H]1C(=O)c2c(cc(O)cc2O)[C@@H]1C ZINC000584618313 358284448 /nfs/dbraw/zinc/28/44/48/358284448.db2.gz TYXLGHQENJLLFU-KOLCDFICSA-N 0 0 248.322 3.594 10 0 BHAERN CCCCC[C@H]1C(=O)c2c(cc(O)cc2O)[C@@H]1C ZINC000584618314 358284329 /nfs/dbraw/zinc/28/43/29/358284329.db2.gz TYXLGHQENJLLFU-MWLCHTKSSA-N 0 0 248.322 3.594 10 0 BHAERN CCCCC[C@@H]1C(=O)c2c(cc(O)cc2O)[C@H]1C ZINC000584618315 358284465 /nfs/dbraw/zinc/28/44/65/358284465.db2.gz TYXLGHQENJLLFU-ONGXEEELSA-N 0 0 248.322 3.594 10 0 BHAERN CCCCC[C@@H]1Cc2c(cc(O)cc2O)[C@@H]1C ZINC000584618496 358284214 /nfs/dbraw/zinc/28/42/14/358284214.db2.gz JZCRWHOREFJPNZ-GHMZBOCLSA-N 0 0 234.339 3.954 10 0 BHAERN CCCCC[C@H]1Cc2c(cc(O)cc2O)[C@@H]1C ZINC000584618497 358284287 /nfs/dbraw/zinc/28/42/87/358284287.db2.gz JZCRWHOREFJPNZ-MNOVXSKESA-N 0 0 234.339 3.954 10 0 BHAERN CCCCC[C@H]1Cc2c(cc(O)cc2O)[C@H]1C ZINC000584618499 358284347 /nfs/dbraw/zinc/28/43/47/358284347.db2.gz JZCRWHOREFJPNZ-QWRGUYRKSA-N 0 0 234.339 3.954 10 0 BHAERN CCCCC[C@@H]1Cc2c(cc(O)cc2O)[C@H]1C ZINC000584618500 358284470 /nfs/dbraw/zinc/28/44/70/358284470.db2.gz JZCRWHOREFJPNZ-WDEREUQCSA-N 0 0 234.339 3.954 10 0 BHAERN COc1ccc(CC2=Cc3ccccc3C2)cc1 ZINC000584618568 358284788 /nfs/dbraw/zinc/28/47/88/358284788.db2.gz MSLGAKFEDJCASV-UHFFFAOYSA-N 0 0 236.314 3.877 10 0 BHAERN Oc1ccc(/C=C2\CCc3cc(O)ccc32)cc1 ZINC000584618571 358284985 /nfs/dbraw/zinc/28/49/85/358284985.db2.gz NKFYAFYNJJKWJI-FMIVXFBMSA-N 0 0 238.286 3.585 10 0 BHAERN O=C1c2cc(Cl)ccc2C[C@@H]1c1ccccc1 ZINC000584618588 358284712 /nfs/dbraw/zinc/28/47/12/358284712.db2.gz OZJSJMQDARKMJH-CYBMUJFWSA-N 0 0 242.705 3.863 10 0 BHAERN O=C1c2cc(Cl)ccc2C[C@H]1c1ccccc1 ZINC000584618589 358284784 /nfs/dbraw/zinc/28/47/84/358284784.db2.gz OZJSJMQDARKMJH-ZDUSSCGKSA-N 0 0 242.705 3.863 10 0 BHAERN CC1(C)CC(C)(C)c2cc(F)c(F)cc21 ZINC000584618600 358285025 /nfs/dbraw/zinc/28/50/25/358285025.db2.gz PUYJYRHBMWLIKB-UHFFFAOYSA-N 0 0 210.267 3.924 10 0 BHAERN CCC[C@H]1CC(C)(C)c2cccc(N)c21 ZINC000584618603 358284783 /nfs/dbraw/zinc/28/47/83/358284783.db2.gz PZQMTQMCJDALRA-JTQLQIEISA-N 0 0 203.329 3.834 10 0 BHAERN CCC[C@@H]1CC(C)(C)c2cccc(N)c21 ZINC000584618604 358284835 /nfs/dbraw/zinc/28/48/35/358284835.db2.gz PZQMTQMCJDALRA-SNVBAGLBSA-N 0 0 203.329 3.834 10 0 BHAERN C1=Cc2c(cccc2OCc2ccccc2)C1 ZINC000584618661 358284737 /nfs/dbraw/zinc/28/47/37/358284737.db2.gz UJRXYBMBVLQWPB-UHFFFAOYSA-N 0 0 222.287 3.835 10 0 BHAERN Nc1cc2cc[nH]c2c(-c2ccccc2F)c1 ZINC000584618909 358285328 /nfs/dbraw/zinc/28/53/28/358285328.db2.gz YVRVTGMLUBOVCX-UHFFFAOYSA-N 0 0 226.254 3.556 10 0 BHAERN OCCc1c[nH]c2c1cccc2C1CCCCC1 ZINC000584618977 358285561 /nfs/dbraw/zinc/28/55/61/358285561.db2.gz NDKVONYQCVEEIB-UHFFFAOYSA-N 0 0 243.350 3.750 10 0 BHAERN COc1ccc(/C=C/SC(F)(F)F)cc1 ZINC000584620033 358287067 /nfs/dbraw/zinc/28/70/67/358287067.db2.gz WGYPAJVCQIVPSR-VOTSOKGWSA-N 0 0 234.242 3.919 10 0 BHAERN C[C@@]1(c2ccccc2)CC(=O)C2(CCCCC2)O1 ZINC000584620307 358287266 /nfs/dbraw/zinc/28/72/66/358287266.db2.gz FRQOLBXNIJJBIB-HNNXBMFYSA-N 0 0 244.334 3.594 10 0 BHAERN C[C@]1(c2ccccc2)CC(=O)C2(CCCCC2)O1 ZINC000584620308 358287287 /nfs/dbraw/zinc/28/72/87/358287287.db2.gz FRQOLBXNIJJBIB-OAHLLOKOSA-N 0 0 244.334 3.594 10 0 BHAERN COc1cc2c(cccc2CCO)cc1C(C)C ZINC000584620350 358287669 /nfs/dbraw/zinc/28/76/69/358287669.db2.gz CSLDJNFDUPNEKI-UHFFFAOYSA-N 0 0 244.334 3.507 10 0 BHAERN Cc1ccc2c(C)cc(C)c(CCCO)c2c1 ZINC000584620380 358287563 /nfs/dbraw/zinc/28/75/63/358287563.db2.gz FLVGABZDBIHRBA-UHFFFAOYSA-N 0 0 228.335 3.690 10 0 BHAERN CCOC(=O)CC[C@H]1CCC[C@H]2CCCC[C@@H]12 ZINC000584620385 358287651 /nfs/dbraw/zinc/28/76/51/358287651.db2.gz FUNVKHULLNQGKK-MGPQQGTHSA-N 0 0 238.371 3.936 10 0 BHAERN O[C@@H]1c2ccccc2CC[C@@H]1c1ccccc1F ZINC000584620513 358287517 /nfs/dbraw/zinc/28/75/17/358287517.db2.gz NWSJEXGJZMMFNN-GDBMZVCRSA-N 0 0 242.293 3.589 10 0 BHAERN O[C@@H]1c2ccccc2CC[C@H]1c1ccccc1F ZINC000584620516 358287368 /nfs/dbraw/zinc/28/73/68/358287368.db2.gz NWSJEXGJZMMFNN-GOEBONIOSA-N 0 0 242.293 3.589 10 0 BHAERN O[C@H]1c2ccccc2CC[C@H]1c1ccccc1F ZINC000584620517 358287640 /nfs/dbraw/zinc/28/76/40/358287640.db2.gz NWSJEXGJZMMFNN-HOCLYGCPSA-N 0 0 242.293 3.589 10 0 BHAERN O[C@H]1c2ccccc2CC[C@@H]1c1ccccc1F ZINC000584620518 358287247 /nfs/dbraw/zinc/28/72/47/358287247.db2.gz NWSJEXGJZMMFNN-ZBFHGGJFSA-N 0 0 242.293 3.589 10 0 BHAERN COc1cc2c(C=O)cccc2cc1C(C)C ZINC000584620641 358288158 /nfs/dbraw/zinc/28/81/58/358288158.db2.gz REAMKNQGWMILSD-UHFFFAOYSA-N 0 0 228.291 3.784 10 0 BHAERN Cc1ccc2c(c1)[C@H](O)[C@H](c1ccccc1)CC2 ZINC000584620733 358288080 /nfs/dbraw/zinc/28/80/80/358288080.db2.gz REAJATYOVKLLKH-DOTOQJQBSA-N 0 0 238.330 3.758 10 0 BHAERN Cc1ccc2c(c1)[C@H](O)[C@@H](c1ccccc1)CC2 ZINC000584620735 358287925 /nfs/dbraw/zinc/28/79/25/358287925.db2.gz REAJATYOVKLLKH-NVXWUHKLSA-N 0 0 238.330 3.758 10 0 BHAERN Cc1ccc2c(c1)[C@@H](O)[C@H](c1ccccc1)CC2 ZINC000584620736 358288140 /nfs/dbraw/zinc/28/81/40/358288140.db2.gz REAJATYOVKLLKH-RDJZCZTQSA-N 0 0 238.330 3.758 10 0 BHAERN Cc1ccc2c(c1)[C@@H](O)[C@@H](c1ccccc1)CC2 ZINC000584620737 358288109 /nfs/dbraw/zinc/28/81/09/358288109.db2.gz REAJATYOVKLLKH-WBVHZDCISA-N 0 0 238.330 3.758 10 0 BHAERN CCOC(=N)[C@H](C)c1cccc2ccccc21 ZINC000584620782 358288238 /nfs/dbraw/zinc/28/82/38/358288238.db2.gz WAZVFYQBIJMNLF-LLVKDONJSA-N 0 0 227.307 3.957 10 0 BHAERN CCOC(=N)[C@@H](C)c1cccc2ccccc21 ZINC000584620785 358288224 /nfs/dbraw/zinc/28/82/24/358288224.db2.gz WAZVFYQBIJMNLF-NSHDSACASA-N 0 0 227.307 3.957 10 0 BHAERN CCC(=O)c1ccc(Oc2cccc(O)c2)cc1 ZINC000584621155 358288448 /nfs/dbraw/zinc/28/84/48/358288448.db2.gz GGKKYKFHNZEMRI-UHFFFAOYSA-N 0 0 242.274 3.777 10 0 BHAERN CCC(=O)c1ccc(N)cc1-c1ccccc1 ZINC000584621159 358288709 /nfs/dbraw/zinc/28/87/09/358288709.db2.gz HKRCRTPZZGDFDA-UHFFFAOYSA-N 0 0 225.291 3.529 10 0 BHAERN CCC(=O)c1ccc(C2CC2)cc1Cl ZINC000584621254 358288475 /nfs/dbraw/zinc/28/84/75/358288475.db2.gz ZFSSXGRPIBPOAT-UHFFFAOYSA-N 0 0 208.688 3.810 10 0 BHAERN Cc1ccc(-c2ccccn2)c(Br)c1 ZINC000584621279 358288768 /nfs/dbraw/zinc/28/87/68/358288768.db2.gz HRKRBZQNHODKQV-UHFFFAOYSA-N 0 0 248.123 3.820 10 0 BHAERN [O-]c1c(Cl)cccc1-c1nc2ccccc2o1 ZINC000584621307 358288828 /nfs/dbraw/zinc/28/88/28/358288828.db2.gz ORMRRKPCMNQEII-UHFFFAOYSA-N 0 0 245.665 3.854 10 0 BHAERN Cc1ncc(-c2nc3ccccc3s2)s1 ZINC000584621310 358288866 /nfs/dbraw/zinc/28/88/66/358288866.db2.gz PUSXPYPFMYRAKT-UHFFFAOYSA-N 0 0 232.333 3.728 10 0 BHAERN FC(F)(F)c1cccc(Cc2ccco2)c1 ZINC000584621480 358288842 /nfs/dbraw/zinc/28/88/42/358288842.db2.gz NUBCTXZRIPGCQO-UHFFFAOYSA-N 0 0 226.197 3.889 10 0 BHAERN Fc1ccc(-n2cc3ccccc3n2)cc1Cl ZINC000584621523 358289445 /nfs/dbraw/zinc/28/94/45/358289445.db2.gz SBQUKPDLEXWCBO-UHFFFAOYSA-N 0 0 246.672 3.818 10 0 BHAERN O=c1cc(-c2cccs2)sc2ccccc12 ZINC000584621524 358289619 /nfs/dbraw/zinc/28/96/19/358289619.db2.gz SDQFUEGLYGYITJ-UHFFFAOYSA-N 0 0 244.340 3.990 10 0 BHAERN CC(C)(C)SCc1ccccc1C=O ZINC000584621617 358289425 /nfs/dbraw/zinc/28/94/25/358289425.db2.gz DDEJYRDBIIZJRO-UHFFFAOYSA-N 0 0 208.326 3.531 10 0 BHAERN c1cc(Cc2nc3ccccc3s2)cs1 ZINC000584621652 358289243 /nfs/dbraw/zinc/28/92/43/358289243.db2.gz HYHRKMFBVVSHTE-UHFFFAOYSA-N 0 0 231.345 3.949 10 0 BHAERN C[C@]12CCCC[C@@H]1CC[C@H]1CC(=O)CC[C@@H]12 ZINC000584621811 358289512 /nfs/dbraw/zinc/28/95/12/358289512.db2.gz GAULWJRKHCOGDS-NEBZKDRISA-N 0 0 220.356 3.962 10 0 BHAERN Cc1cccc(C)c1O/C(Cl)=C/Cl ZINC000584621939 358290182 /nfs/dbraw/zinc/29/01/82/358290182.db2.gz ZSYVHWHJGMHOKG-RMKNXTFCSA-N 0 0 217.095 3.959 10 0 BHAERN FC(F)(F)c1ccc2nc3ccccc3n2c1 ZINC000584622286 358290121 /nfs/dbraw/zinc/29/01/21/358290121.db2.gz BRUJXNOAHAYJAY-UHFFFAOYSA-N 0 0 236.196 3.506 10 0 BHAERN CC1C(C)(C)P(=O)(N2CCCC2)C1(C)C ZINC000584622358 358290178 /nfs/dbraw/zinc/29/01/78/358290178.db2.gz NSRONASIZCWZAN-UHFFFAOYSA-N 0 0 229.304 3.567 10 0 BHAERN O=Cc1c2ccccc2oc1-c1cccs1 ZINC000584622407 358290583 /nfs/dbraw/zinc/29/05/83/358290583.db2.gz UEODCMGCBQENCI-UHFFFAOYSA-N 0 0 228.272 3.974 10 0 BHAERN c1csc(Cc2nc3ccccc3s2)c1 ZINC000584622421 358290591 /nfs/dbraw/zinc/29/05/91/358290591.db2.gz VNPIKKHPGYFDSQ-UHFFFAOYSA-N 0 0 231.345 3.949 10 0 BHAERN CC(C)O[C@H]1C=Cc2ccccc2S1 ZINC000584622465 358290506 /nfs/dbraw/zinc/29/05/06/358290506.db2.gz XGZXIHURUASULI-GFCCVEGCSA-N 0 0 206.310 3.557 10 0 BHAERN CC(C)O[C@@H]1C=Cc2ccccc2S1 ZINC000584622468 358290489 /nfs/dbraw/zinc/29/04/89/358290489.db2.gz XGZXIHURUASULI-LBPRGKRZSA-N 0 0 206.310 3.557 10 0 BHAERN Brc1ccc(Cc2ccco2)cc1 ZINC000584622766 358290767 /nfs/dbraw/zinc/29/07/67/358290767.db2.gz AUXSGTGYSTYDBA-UHFFFAOYSA-N 0 0 237.096 3.633 10 0 BHAERN Cc1c[nH]c(-c2ccc(Br)cc2)c1 ZINC000584622790 358290594 /nfs/dbraw/zinc/29/05/94/358290594.db2.gz HSJXDYCMAOYGNK-UHFFFAOYSA-N 0 0 236.112 3.753 10 0 BHAERN CC[C@H](C)[C@H]1C[C@@H](Cc2ccccc2)C(=O)S1 ZINC000584622840 358290743 /nfs/dbraw/zinc/29/07/43/358290743.db2.gz QFPQESGQWGLTKL-IACUBPJLSA-N 0 0 248.391 3.924 10 0 BHAERN CC[C@H](C)[C@@H]1C[C@@H](Cc2ccccc2)C(=O)S1 ZINC000584622841 358290734 /nfs/dbraw/zinc/29/07/34/358290734.db2.gz QFPQESGQWGLTKL-YUTCNCBUSA-N 0 0 248.391 3.924 10 0 BHAERN O=C(Nc1ccc(Cl)cc1)C1C=CC=CC=C1 ZINC000584623272 398079047 /nfs/dbraw/zinc/07/90/47/398079047.db2.gz NXDRMTHPFDEJHG-UHFFFAOYSA-N 0 0 245.709 3.577 10 0 BHAERN FC(F)(c1ccco1)c1nc2ccccc2o1 ZINC000584623536 387503032 /nfs/dbraw/zinc/50/30/32/387503032.db2.gz YYAKHDCCFCLBDJ-UHFFFAOYSA-N 0 0 235.189 3.561 10 0 BHAERN c1csc(-c2cnc(-c3cccs3)nc2)c1 ZINC000584623610 387502618 /nfs/dbraw/zinc/50/26/18/387502618.db2.gz SWIVLGAHIJJOKO-UHFFFAOYSA-N 0 0 244.344 3.934 10 0 BHAERN C/C(C(=O)NC1CCCC1)=C(/C)c1ccccc1 ZINC000584624392 358292312 /nfs/dbraw/zinc/29/23/12/358292312.db2.gz CDRHYYSYYZPDLA-OUKQBFOZSA-N 0 0 243.350 3.539 10 0 BHAERN C/C(C(=O)NC1CCCC1)=C(\C)c1ccccc1 ZINC000584624393 358292370 /nfs/dbraw/zinc/29/23/70/358292370.db2.gz CDRHYYSYYZPDLA-SEYXRHQNSA-N 0 0 243.350 3.539 10 0 BHAERN C=C(Br)/C=C(\C)c1ccccc1 ZINC000584624436 358292570 /nfs/dbraw/zinc/29/25/70/358292570.db2.gz KFBWVHNHYINSOC-CMDGGOBGSA-N 0 0 223.113 3.999 10 0 BHAERN CCCCn1cc2ccc(C(F)(F)F)cc2n1 ZINC000584624565 358292599 /nfs/dbraw/zinc/29/25/99/358292599.db2.gz XHSLTMAVVYWDKH-UHFFFAOYSA-N 0 0 242.244 3.855 10 0 BHAERN Cc1ccc(C(C)(C)Br)cc1 ZINC000584624775 398079618 /nfs/dbraw/zinc/07/96/18/398079618.db2.gz QXXWBUHIGXKTAK-UHFFFAOYSA-N 0 0 213.118 3.625 10 0 BHAERN CC1=C(I)C(C)(C)CC1 ZINC000584625220 358293461 /nfs/dbraw/zinc/29/34/61/358293461.db2.gz LTGABGHUTRZPKZ-UHFFFAOYSA-N 0 0 236.096 3.515 10 0 BHAERN CC(C)P(c1cccs1)C(C)C ZINC000584625288 358294159 /nfs/dbraw/zinc/29/41/59/358294159.db2.gz QIDXRUHCIISUFK-UHFFFAOYSA-N 0 0 200.287 3.672 10 0 BHAERN CCc1ccc(Sc2ccccc2)[nH]1 ZINC000584625323 358294314 /nfs/dbraw/zinc/29/43/14/358294314.db2.gz RIPCKHDIKUVSLX-UHFFFAOYSA-N 0 0 203.310 3.728 10 0 BHAERN O=C1Nc2ccccc2C1=C1CCCCCC1 ZINC000584625417 358294254 /nfs/dbraw/zinc/29/42/54/358294254.db2.gz CFDYFBGBGZNGQJ-UHFFFAOYSA-N 0 0 227.307 3.747 10 0 BHAERN C/C(Cc1ccccc1)=C1\c2ccccc2NC1=O ZINC000584625779 358294848 /nfs/dbraw/zinc/29/48/48/358294848.db2.gz SSXNKUOOLIFFSQ-VBKFSLOCSA-N 0 0 249.313 3.655 10 0 BHAERN CC1=CC(C(F)(F)F)=Cc2ccccc2O1 ZINC000584625954 358295305 /nfs/dbraw/zinc/29/53/05/358295305.db2.gz PVNHVWMNFBPTSH-UHFFFAOYSA-N 0 0 226.197 3.929 10 0 BHAERN Cc1cccc(-c2cc(F)c(F)c(F)c2F)n1 ZINC000584625969 358295214 /nfs/dbraw/zinc/29/52/14/358295214.db2.gz WJDVUVZYUJVDDJ-UHFFFAOYSA-N 0 0 241.187 3.613 10 0 BHAERN CCOC(=N)CCc1ccc2ccccc2c1 ZINC000584626765 358296258 /nfs/dbraw/zinc/29/62/58/358296258.db2.gz IWVDKFXCXKVXBB-UHFFFAOYSA-N 0 0 227.307 3.786 10 0 BHAERN O[C@H]1C[C@@H]2CCCC[C@H]2C[C@@H]1c1ccccc1 ZINC000584626905 387503974 /nfs/dbraw/zinc/50/39/74/387503974.db2.gz MBQJZAUCWNRGBR-JONQDZQNSA-N 0 0 230.351 3.731 10 0 BHAERN CC(=O)O[C@H]1CC[C@@]2(C)CCCC=C2C1(C)C ZINC000584626917 387503724 /nfs/dbraw/zinc/50/37/24/387503724.db2.gz OBRLNUWVRQHYOO-DZGCQCFKSA-N 0 0 236.355 3.855 10 0 BHAERN CC(=O)O[C@@H]1CC[C@]2(C)CCCC=C2C1(C)C ZINC000584626918 387503836 /nfs/dbraw/zinc/50/38/36/387503836.db2.gz OBRLNUWVRQHYOO-HIFRSBDPSA-N 0 0 236.355 3.855 10 0 BHAERN CC(=O)O[C@@H]1CC[C@@]2(C)CCCC=C2C1(C)C ZINC000584626919 387503745 /nfs/dbraw/zinc/50/37/45/387503745.db2.gz OBRLNUWVRQHYOO-UKRRQHHQSA-N 0 0 236.355 3.855 10 0 BHAERN CC(=O)O[C@H]1CC[C@]2(C)CCCC=C2C1(C)C ZINC000584626920 387503860 /nfs/dbraw/zinc/50/38/60/387503860.db2.gz OBRLNUWVRQHYOO-ZFWWWQNUSA-N 0 0 236.355 3.855 10 0 BHAERN CC(=O)O[C@H]1CC[C@@]2(C)CC=CC=C2C1(C)C ZINC000584626924 387503677 /nfs/dbraw/zinc/50/36/77/387503677.db2.gz PYBDFTGRHQEEDD-DZGCQCFKSA-N 0 0 234.339 3.631 10 0 BHAERN CC(=O)O[C@@H]1CC[C@]2(C)CC=CC=C2C1(C)C ZINC000584626925 387503621 /nfs/dbraw/zinc/50/36/21/387503621.db2.gz PYBDFTGRHQEEDD-HIFRSBDPSA-N 0 0 234.339 3.631 10 0 BHAERN CC(=O)O[C@@H]1CC[C@@]2(C)CC=CC=C2C1(C)C ZINC000584626926 387504044 /nfs/dbraw/zinc/50/40/44/387504044.db2.gz PYBDFTGRHQEEDD-UKRRQHHQSA-N 0 0 234.339 3.631 10 0 BHAERN CC(=O)O[C@H]1CC[C@]2(C)CC=CC=C2C1(C)C ZINC000584626927 387503605 /nfs/dbraw/zinc/50/36/05/387503605.db2.gz PYBDFTGRHQEEDD-ZFWWWQNUSA-N 0 0 234.339 3.631 10 0 BHAERN O=c1scc(-c2ccc3ccccc3c2)s1 ZINC000584626936 387503793 /nfs/dbraw/zinc/50/37/93/387503793.db2.gz QSWLKGRHTVJPNS-UHFFFAOYSA-N 0 0 244.340 3.990 10 0 BHAERN Oc1cc2ccccc2cc1-c1cccnc1 ZINC000584626983 387503892 /nfs/dbraw/zinc/50/38/92/387503892.db2.gz YCBKAUDDUSVNRL-UHFFFAOYSA-N 0 0 221.259 3.607 10 0 BHAERN Cc1ccc(C(C)(C)[C@@H](C)C(C)(C)O)cc1 ZINC000584627107 358296651 /nfs/dbraw/zinc/29/66/51/358296651.db2.gz LWSZJFJWNOKIIG-GFCCVEGCSA-N 0 0 220.356 3.680 10 0 BHAERN Cc1ccc(C(C)(C)[C@H](C)C(C)(C)O)cc1 ZINC000584627108 358296691 /nfs/dbraw/zinc/29/66/91/358296691.db2.gz LWSZJFJWNOKIIG-LBPRGKRZSA-N 0 0 220.356 3.680 10 0 BHAERN Cc1ccc([C@@H](C)[C@@H](C)C(C)(C)O)cc1 ZINC000584627259 398080356 /nfs/dbraw/zinc/08/03/56/398080356.db2.gz PNULCXZYNISBGU-NWDGAFQWSA-N 0 0 206.329 3.506 10 0 BHAERN Cc1ccc([C@@H](C)[C@H](C)C(C)(C)O)cc1 ZINC000584627260 398080275 /nfs/dbraw/zinc/08/02/75/398080275.db2.gz PNULCXZYNISBGU-RYUDHWBXSA-N 0 0 206.329 3.506 10 0 BHAERN Cc1ccc([C@H](C)[C@@H](C)C(C)(C)O)cc1 ZINC000584627261 398080220 /nfs/dbraw/zinc/08/02/20/398080220.db2.gz PNULCXZYNISBGU-VXGBXAGGSA-N 0 0 206.329 3.506 10 0 BHAERN C=CC(=O)O[C@H]1CC[C@H](C(C)(C)CC)CC1 ZINC000584627522 358297369 /nfs/dbraw/zinc/29/73/69/358297369.db2.gz HESNSGBXJPYQTD-HAQNSBGRSA-N 0 0 224.344 3.711 10 0 BHAERN CSCc1cccnc1Nc1ccccc1 ZINC000584628361 358298030 /nfs/dbraw/zinc/29/80/30/358298030.db2.gz KLCGYDJKDOWSLM-UHFFFAOYSA-N 0 0 230.336 3.688 10 0 BHAERN FC1(F)c2ccccc2N=C1c1cccs1 ZINC000584630710 358301097 /nfs/dbraw/zinc/30/10/97/358301097.db2.gz PGBHNKKOFCEAFM-UHFFFAOYSA-N 0 0 235.258 3.974 10 0 BHAERN O=c1c(-c2cccs2)coc2ccccc21 ZINC000584630722 358300953 /nfs/dbraw/zinc/30/09/53/358300953.db2.gz APLBVQRHKCIXEY-UHFFFAOYSA-N 0 0 228.272 3.522 10 0 BHAERN FC(F)(F)c1ccn2c(c1)nc1ccccc12 ZINC000584630802 358301233 /nfs/dbraw/zinc/30/12/33/358301233.db2.gz LSEWPHHWYFBKJJ-UHFFFAOYSA-N 0 0 236.196 3.506 10 0 BHAERN CCO[C@@H](CC(F)(F)F)c1ccccc1 ZINC000584630844 358301909 /nfs/dbraw/zinc/30/19/09/358301909.db2.gz USIWLORKBRUASY-JTQLQIEISA-N 0 0 218.218 3.717 10 0 BHAERN CCO[C@H](CC(F)(F)F)c1ccccc1 ZINC000584630845 358301634 /nfs/dbraw/zinc/30/16/34/358301634.db2.gz USIWLORKBRUASY-SNVBAGLBSA-N 0 0 218.218 3.717 10 0 BHAERN FC(F)(F)C(F)(F)c1cnc2ccccc2c1 ZINC000584630859 358301704 /nfs/dbraw/zinc/30/17/04/358301704.db2.gz WPPSJZCTASWZAU-UHFFFAOYSA-N 0 0 247.166 3.889 10 0 BHAERN CCC(=O)O[C@@H](CC(F)(F)F)c1ccccc1 ZINC000584630872 358301729 /nfs/dbraw/zinc/30/17/29/358301729.db2.gz ZQJDLYQRFMOSHD-JTQLQIEISA-N 0 0 246.228 3.633 10 0 BHAERN CCC(=O)O[C@H](CC(F)(F)F)c1ccccc1 ZINC000584630873 358301830 /nfs/dbraw/zinc/30/18/30/358301830.db2.gz ZQJDLYQRFMOSHD-SNVBAGLBSA-N 0 0 246.228 3.633 10 0 BHAERN CCCCSc1c(C)nc2ccccn21 ZINC000584631168 358282117 /nfs/dbraw/zinc/28/21/17/358282117.db2.gz DGQGMKVCANERPZ-UHFFFAOYSA-N 0 0 220.341 3.535 10 0 BHAERN O[C@H]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000584631246 358283019 /nfs/dbraw/zinc/28/30/19/358283019.db2.gz FXGADHNMYGPVLS-JTQLQIEISA-N 0 0 242.240 3.634 10 0 BHAERN O[C@@H]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000584631249 358282725 /nfs/dbraw/zinc/28/27/25/358282725.db2.gz FXGADHNMYGPVLS-SNVBAGLBSA-N 0 0 242.240 3.634 10 0 BHAERN O[C@@H]1CC=C(c2cccc(C(F)(F)F)c2)CC1 ZINC000584631257 358282709 /nfs/dbraw/zinc/28/27/09/358282709.db2.gz GLHZYDDOYZIIFB-GFCCVEGCSA-N 0 0 242.240 3.634 10 0 BHAERN O[C@H]1CC=C(c2cccc(C(F)(F)F)c2)CC1 ZINC000584631260 358283100 /nfs/dbraw/zinc/28/31/00/358283100.db2.gz GLHZYDDOYZIIFB-LBPRGKRZSA-N 0 0 242.240 3.634 10 0 BHAERN Clc1cnc2c(c1)Sc1ccccc1N2 ZINC000584631336 358286261 /nfs/dbraw/zinc/28/62/61/358286261.db2.gz LYLDDPBLQGIRBP-UHFFFAOYSA-N 0 0 234.711 3.943 10 0 BHAERN Cc1ccc2nc(N(C)C)p(Cl)c2c1 ZINC000584631384 358294759 /nfs/dbraw/zinc/29/47/59/358294759.db2.gz PBZJVFGMUNLSPS-UHFFFAOYSA-N 0 0 226.647 3.598 10 0 BHAERN Fc1ccc2c(c1)cc(Cl)nc2C1CC1 ZINC000584631389 358295739 /nfs/dbraw/zinc/29/57/39/358295739.db2.gz RXXALYNEQBVPGM-UHFFFAOYSA-N 0 0 221.662 3.905 10 0 BHAERN CCOC(=O)C(C)(C)/C(C)=C/c1ccccc1 ZINC000584631416 398080151 /nfs/dbraw/zinc/08/01/51/398080151.db2.gz VQHCMBOWNKTXHZ-VAWYXSNFSA-N 0 0 232.323 3.679 10 0 BHAERN COc1ccc2c(c1)CC[C@]1(C)CC=C[C@@H]21 ZINC000584632446 358315676 /nfs/dbraw/zinc/31/56/76/358315676.db2.gz HZYWLZKTNIXGEF-GJZGRUSLSA-N 0 0 214.308 3.691 10 0 BHAERN COc1ccc2c(c1)CC[C@@]1(C)CC=C[C@@H]21 ZINC000584632449 358315264 /nfs/dbraw/zinc/31/52/64/358315264.db2.gz HZYWLZKTNIXGEF-LSDHHAIUSA-N 0 0 214.308 3.691 10 0 BHAERN CC[C@](C)(O)CC(C)(C)c1ccc(C)cc1 ZINC000584632761 358316014 /nfs/dbraw/zinc/31/60/14/358316014.db2.gz XRRGYGORVWULAB-HNNXBMFYSA-N 0 0 220.356 3.824 10 0 BHAERN CC[C@@](C)(O)CC(C)(C)c1ccc(C)cc1 ZINC000584632763 358316332 /nfs/dbraw/zinc/31/63/32/358316332.db2.gz XRRGYGORVWULAB-OAHLLOKOSA-N 0 0 220.356 3.824 10 0 BHAERN Fc1cccc(Cl)c1-c1ccncc1 ZINC000584633455 358316998 /nfs/dbraw/zinc/31/69/98/358316998.db2.gz MYXINSGJGVSMTA-UHFFFAOYSA-N 0 0 207.635 3.541 10 0 BHAERN CSc1cc(=S)oc2ccccc21 ZINC000584634426 358318273 /nfs/dbraw/zinc/31/82/73/358318273.db2.gz AFQPMCOKNFPIFC-UHFFFAOYSA-N 0 0 208.307 3.884 10 0 BHAERN FC(F)(F)c1ccnc(Nc2ccccc2)c1 ZINC000584634429 358318547 /nfs/dbraw/zinc/31/85/47/358318547.db2.gz FMDXGRDPSIGZPJ-UHFFFAOYSA-N 0 0 238.212 3.844 10 0 BHAERN O=Cc1ccc(-c2cc(Cl)cs2)cc1 ZINC000584634627 358318874 /nfs/dbraw/zinc/31/88/74/358318874.db2.gz RRVYOVWNJPMAIV-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN Cc1ccccc1-c1ccc2ncc(CO)cc2c1 ZINC000584635045 387506543 /nfs/dbraw/zinc/50/65/43/387506543.db2.gz KRYDGLRIPVLEQJ-UHFFFAOYSA-N 0 0 249.313 3.703 10 0 BHAERN c1csc(-c2ccc(-c3cn[nH]c3)s2)c1 ZINC000584635160 358319651 /nfs/dbraw/zinc/31/96/51/358319651.db2.gz WWCWKPDUVXPYAJ-UHFFFAOYSA-N 0 0 232.333 3.867 10 0 BHAERN FCc1c(Cl)ncn1-c1ccc(Cl)cc1 ZINC000584635555 358319558 /nfs/dbraw/zinc/31/95/58/358319558.db2.gz FOAIQXWWAXNLBS-UHFFFAOYSA-N 0 0 245.084 3.649 10 0 BHAERN CC1=C(Cl)CCP(c2ccccc2)C1 ZINC000584635571 358319655 /nfs/dbraw/zinc/31/96/55/358319655.db2.gz KRVOGPQSOWWUMS-UHFFFAOYSA-N 0 0 224.671 3.710 10 0 BHAERN O=C(CCC(F)(F)Cl)C1CCCCC1 ZINC000584635583 358319281 /nfs/dbraw/zinc/31/92/81/358319281.db2.gz PJFPDDDQUOATHV-UHFFFAOYSA-N 0 0 224.678 3.748 10 0 BHAERN CSc1cc(C)c(Br)c(C)c1 ZINC000584635591 358319516 /nfs/dbraw/zinc/31/95/16/358319516.db2.gz RGOABFZHBHXWKH-UHFFFAOYSA-N 0 0 231.158 3.788 10 0 BHAERN Brc1ccc(N[C@H]2C=CCC2)cc1 ZINC000584635617 358319278 /nfs/dbraw/zinc/31/92/78/358319278.db2.gz ZLTZABWBAJLNGI-JTQLQIEISA-N 0 0 238.128 3.580 10 0 BHAERN Brc1ccc(N[C@@H]2C=CCC2)cc1 ZINC000584635618 358319367 /nfs/dbraw/zinc/31/93/67/358319367.db2.gz ZLTZABWBAJLNGI-SNVBAGLBSA-N 0 0 238.128 3.580 10 0 BHAERN Fc1c2cc[nH]c2c(F)c(F)c1C(F)(F)F ZINC000584635796 358320013 /nfs/dbraw/zinc/32/00/13/358320013.db2.gz WWAHNRLKYQTZCC-UHFFFAOYSA-N 0 0 239.118 3.604 10 0 BHAERN O=NN(c1ccccc1)c1ccc(F)cc1 ZINC000584635919 358319957 /nfs/dbraw/zinc/31/99/57/358319957.db2.gz QMEMYKLTVGUFKY-UHFFFAOYSA-N 0 0 216.215 3.645 10 0 BHAERN CN(C[Si](C)(C)C)c1ccc(Cl)cc1 ZINC000584635925 358320212 /nfs/dbraw/zinc/32/02/12/358320212.db2.gz QHVDQLWREHWHAI-UHFFFAOYSA-N 0 0 227.811 3.654 10 0 BHAERN Fc1nc(F)c(F)c(C2CCCCC2)c1F ZINC000584635949 358320102 /nfs/dbraw/zinc/32/01/02/358320102.db2.gz WQOKHWZMFIBCEL-UHFFFAOYSA-N 0 0 233.208 3.686 10 0 BHAERN O=C(CCC(F)(F)Cl)c1ccc(F)cc1 ZINC000584635960 358320564 /nfs/dbraw/zinc/32/05/64/358320564.db2.gz UQPGRCHMLVCMGV-UHFFFAOYSA-N 0 0 236.620 3.620 10 0 BHAERN C[C@@H]1C=CN(c2ccccc2)N=C1C(F)(F)F ZINC000584636188 358320707 /nfs/dbraw/zinc/32/07/07/358320707.db2.gz PUPPNFITTTVLDA-SECBINFHSA-N 0 0 240.228 3.575 10 0 BHAERN C[C@H]1C=CN(c2ccccc2)N=C1C(F)(F)F ZINC000584636189 358320455 /nfs/dbraw/zinc/32/04/55/358320455.db2.gz PUPPNFITTTVLDA-VIFPVBQESA-N 0 0 240.228 3.575 10 0 BHAERN O=Cc1ccc(SC2CCCCCC2)o1 ZINC000584636617 358320975 /nfs/dbraw/zinc/32/09/75/358320975.db2.gz RGQKCMKWKQEPBA-UHFFFAOYSA-N 0 0 224.325 3.907 10 0 BHAERN Fc1c(Cl)ccc(Cl)c1-c1cncnc1 ZINC000584637112 358322375 /nfs/dbraw/zinc/32/23/75/358322375.db2.gz DQQLSVMJVARUHS-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN N=C1O[C@@H](c2ccc(Cl)c(Cl)c2)CS1 ZINC000584637238 358322205 /nfs/dbraw/zinc/32/22/05/358322205.db2.gz NJFJTOOBZOREOW-MRVPVSSYSA-N 0 0 248.134 3.733 10 0 BHAERN N=C1O[C@H](c2ccc(Cl)c(Cl)c2)CS1 ZINC000584637240 358322958 /nfs/dbraw/zinc/32/29/58/358322958.db2.gz NJFJTOOBZOREOW-QMMMGPOBSA-N 0 0 248.134 3.733 10 0 BHAERN O=Cc1ccc2c(c1)C[C@H](CC1CCCCC1)O2 ZINC000584637828 358323583 /nfs/dbraw/zinc/32/35/83/358323583.db2.gz WLWCUCZPTYOYAI-HNNXBMFYSA-N 0 0 244.334 3.773 10 0 BHAERN O=Cc1ccc2c(c1)C[C@@H](CC1CCCCC1)O2 ZINC000584637831 358323478 /nfs/dbraw/zinc/32/34/78/358323478.db2.gz WLWCUCZPTYOYAI-OAHLLOKOSA-N 0 0 244.334 3.773 10 0 BHAERN C=Cc1c[nH]c2c1cc(Br)cc2C ZINC000584637878 358323446 /nfs/dbraw/zinc/32/34/46/358323446.db2.gz PUDPWQDBWOFLKH-UHFFFAOYSA-N 0 0 236.112 3.882 10 0 BHAERN O[C@H]1c2ccccc2C=Cc2cc(Cl)ccc21 ZINC000584638004 358323376 /nfs/dbraw/zinc/32/33/76/358323376.db2.gz BIDKOBRPUVTWAL-HNNXBMFYSA-N 0 0 242.705 3.906 10 0 BHAERN O[C@@H]1c2ccccc2C=Cc2cc(Cl)ccc21 ZINC000584638005 358323611 /nfs/dbraw/zinc/32/36/11/358323611.db2.gz BIDKOBRPUVTWAL-OAHLLOKOSA-N 0 0 242.705 3.906 10 0 BHAERN C[C@]1(O)c2ccccc2C=Cc2ccc(F)cc21 ZINC000584638009 358323669 /nfs/dbraw/zinc/32/36/69/358323669.db2.gz CHUYJEHIZRBCHT-INIZCTEOSA-N 0 0 240.277 3.565 10 0 BHAERN C[C@@]1(O)c2ccccc2C=Cc2ccc(F)cc21 ZINC000584638010 358323636 /nfs/dbraw/zinc/32/36/36/358323636.db2.gz CHUYJEHIZRBCHT-MRXNPFEDSA-N 0 0 240.277 3.565 10 0 BHAERN Cc1cc(C)c2c(c1)C(=O)c1ccccc1CC2 ZINC000584638084 358323359 /nfs/dbraw/zinc/32/33/59/358323359.db2.gz OMHAWHJVKUVLML-UHFFFAOYSA-N 0 0 236.314 3.633 10 0 BHAERN CCc1ccc2c(c1)NCc1ccccc1C2 ZINC000584638125 358323544 /nfs/dbraw/zinc/32/35/44/358323544.db2.gz RCOYTVPARUVVHW-UHFFFAOYSA-N 0 0 223.319 3.765 10 0 BHAERN O[C@H]1CCc2ccccc2[C@H](c2ccccc2)C1 ZINC000584638180 358323586 /nfs/dbraw/zinc/32/35/86/358323586.db2.gz BJSXLWCZUCDAOZ-RDJZCZTQSA-N 0 0 238.330 3.516 10 0 BHAERN C[C@@H](O)CC1=CC=C2C(C)(C)CCC[C@]2(C)O1 ZINC000584638207 358323639 /nfs/dbraw/zinc/32/36/39/358323639.db2.gz GHKIIFWRHMGCAL-ABAIWWIYSA-N 0 0 236.355 3.567 10 0 BHAERN C[C@@H](O)CC1=CC=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000584638208 358323626 /nfs/dbraw/zinc/32/36/26/358323626.db2.gz GHKIIFWRHMGCAL-IAQYHMDHSA-N 0 0 236.355 3.567 10 0 BHAERN C[C@H](O)CC1=CC=C2C(C)(C)CCC[C@]2(C)O1 ZINC000584638209 358323617 /nfs/dbraw/zinc/32/36/17/358323617.db2.gz GHKIIFWRHMGCAL-NHYWBVRUSA-N 0 0 236.355 3.567 10 0 BHAERN C[C@H](O)CC1=CC=C2C(C)(C)CCC[C@@]2(C)O1 ZINC000584638210 358323413 /nfs/dbraw/zinc/32/34/13/358323413.db2.gz GHKIIFWRHMGCAL-XHDPSFHLSA-N 0 0 236.355 3.567 10 0 BHAERN CC(=O)Oc1ccc2c(c1)[C@@H]1CCCCC=C21 ZINC000584638211 358323527 /nfs/dbraw/zinc/32/35/27/358323527.db2.gz GOZSAVCNIYXFNZ-CYBMUJFWSA-N 0 0 228.291 3.667 10 0 BHAERN CC(=O)Oc1ccc2c(c1)[C@H]1CCCCC=C21 ZINC000584638217 358323656 /nfs/dbraw/zinc/32/36/56/358323656.db2.gz GOZSAVCNIYXFNZ-ZDUSSCGKSA-N 0 0 228.291 3.667 10 0 BHAERN CC(=O)Oc1cccc2c1[C@@H]1CCCCC=C21 ZINC000584638274 358323784 /nfs/dbraw/zinc/32/37/84/358323784.db2.gz KDQRXWMOYYPJIA-GFCCVEGCSA-N 0 0 228.291 3.667 10 0 BHAERN CC(=O)Oc1cccc2c1[C@H]1CCCCC=C21 ZINC000584638275 358323708 /nfs/dbraw/zinc/32/37/08/358323708.db2.gz KDQRXWMOYYPJIA-LBPRGKRZSA-N 0 0 228.291 3.667 10 0 BHAERN COc1cccc2c1[nH]c1c2-c2ccccc2CC1 ZINC000584638283 358323994 /nfs/dbraw/zinc/32/39/94/358323994.db2.gz LMNYYHVHFNYRIC-UHFFFAOYSA-N 0 0 249.313 3.942 10 0 BHAERN CC(C)=Cc1n[nH]c2ccc(Cl)cc12 ZINC000584638309 358323817 /nfs/dbraw/zinc/32/38/17/358323817.db2.gz LZYJACOQZBHGKJ-UHFFFAOYSA-N 0 0 206.676 3.640 10 0 BHAERN Clc1ccc2[nH]nc(-c3cccs3)c2c1 ZINC000584638380 358323889 /nfs/dbraw/zinc/32/38/89/358323889.db2.gz UMJJGKUXWOLWOY-UHFFFAOYSA-N 0 0 234.711 3.945 10 0 BHAERN COc1ccc2[nH]c3c(c2c1)-c1ccccc1CC3 ZINC000584638418 358324105 /nfs/dbraw/zinc/32/41/05/358324105.db2.gz UBEPNFNRHHHITR-UHFFFAOYSA-N 0 0 249.313 3.942 10 0 BHAERN CC(=O)Oc1cccc2c1C1=CCCCC[C@@H]21 ZINC000584638430 358323950 /nfs/dbraw/zinc/32/39/50/358323950.db2.gz WCHAGBFGSSNUMU-LLVKDONJSA-N 0 0 228.291 3.667 10 0 BHAERN CC(=O)Oc1cccc2c1C1=CCCCC[C@H]21 ZINC000584638431 358323727 /nfs/dbraw/zinc/32/37/27/358323727.db2.gz WCHAGBFGSSNUMU-NSHDSACASA-N 0 0 228.291 3.667 10 0 BHAERN CC[C@H]1c2ccccc2CCc2cccnc21 ZINC000584638433 358324043 /nfs/dbraw/zinc/32/40/43/358324043.db2.gz WQOITVRCQHUHFW-AWEZNQCLSA-N 0 0 223.319 3.722 10 0 BHAERN CC[C@@H]1c2ccccc2CCc2cccnc21 ZINC000584638434 358323808 /nfs/dbraw/zinc/32/38/08/358323808.db2.gz WQOITVRCQHUHFW-CQSZACIVSA-N 0 0 223.319 3.722 10 0 BHAERN CC(=O)Oc1ccc2c(c1)C1=CCCCC[C@@H]21 ZINC000584638438 358323940 /nfs/dbraw/zinc/32/39/40/358323940.db2.gz XIGREHLFSARNEU-GFCCVEGCSA-N 0 0 228.291 3.667 10 0 BHAERN CC(=O)Oc1ccc2c(c1)C1=CCCCC[C@H]21 ZINC000584638439 358323831 /nfs/dbraw/zinc/32/38/31/358323831.db2.gz XIGREHLFSARNEU-LBPRGKRZSA-N 0 0 228.291 3.667 10 0 BHAERN COc1ccc2[nH]cc(SC(F)(F)F)c2c1 ZINC000584638553 358323769 /nfs/dbraw/zinc/32/37/69/358323769.db2.gz GAUCDFRHNCNXNQ-UHFFFAOYSA-N 0 0 247.241 3.788 10 0 BHAERN Cc1cnsc1[C@H](O)c1ccc(C(C)C)cc1 ZINC000584638910 358324606 /nfs/dbraw/zinc/32/46/06/358324606.db2.gz VCRZHZJEIGFOQY-CYBMUJFWSA-N 0 0 247.363 3.657 10 0 BHAERN Cc1cnsc1[C@@H](O)c1ccc(C(C)C)cc1 ZINC000584638911 358324474 /nfs/dbraw/zinc/32/44/74/358324474.db2.gz VCRZHZJEIGFOQY-ZDUSSCGKSA-N 0 0 247.363 3.657 10 0 BHAERN O=c1ccoc2ccc(-c3cccs3)cc12 ZINC000584639581 398083976 /nfs/dbraw/zinc/08/39/76/398083976.db2.gz KARCUVXDURIKNC-UHFFFAOYSA-N 0 0 228.272 3.522 10 0 BHAERN O=c1oc2ccc(Cl)cc2cc1-c1ccco1 ZINC000584639644 398083985 /nfs/dbraw/zinc/08/39/85/398083985.db2.gz BNQOCSJUTPZDBF-UHFFFAOYSA-N 0 0 246.649 3.706 10 0 BHAERN CCCc1nc2cc(Cl)ccc2nc1C ZINC000584639653 398084118 /nfs/dbraw/zinc/08/41/18/398084118.db2.gz FRVNQBCTEXYBDI-UHFFFAOYSA-N 0 0 220.703 3.544 10 0 BHAERN CCCc1nc2ccc(Cl)cc2nc1C ZINC000584639663 398083980 /nfs/dbraw/zinc/08/39/80/398083980.db2.gz IIDIWVKTBRXVSB-UHFFFAOYSA-N 0 0 220.703 3.544 10 0 BHAERN Fc1cccc(-c2cnc3ccc(Cl)cn32)c1 ZINC000584639705 358325597 /nfs/dbraw/zinc/32/55/97/358325597.db2.gz WXBMMIWWUOXPSK-UHFFFAOYSA-N 0 0 246.672 3.794 10 0 BHAERN CCOc1cccc2cc(Cl)ccc21 ZINC000584639950 358325859 /nfs/dbraw/zinc/32/58/59/358325859.db2.gz RZFURPNGLAAQBO-UHFFFAOYSA-N 0 0 206.672 3.892 10 0 BHAERN c1ccc2c(c1)Cc1cc3cccnc3cc1-2 ZINC000584640034 358325412 /nfs/dbraw/zinc/32/54/12/358325412.db2.gz GDXAFDZXDHTNFY-UHFFFAOYSA-N 0 0 217.271 3.806 10 0 BHAERN CCOc1cc2c3c(c(C)cc2cn1)CC=C3 ZINC000584640312 358326190 /nfs/dbraw/zinc/32/61/90/358326190.db2.gz MLWUPNUTIQBMJA-UHFFFAOYSA-N 0 0 225.291 3.511 10 0 BHAERN O=c1oc2c(cccc2-c2ccccc2)s1 ZINC000584640528 358326635 /nfs/dbraw/zinc/32/66/35/358326635.db2.gz WLLKRZRJRLOOJW-UHFFFAOYSA-N 0 0 228.272 3.522 10 0 BHAERN Cc1cccc2c1[C@H](C)c1ccccc1C2=O ZINC000584640663 358326798 /nfs/dbraw/zinc/32/67/98/358326798.db2.gz LRTLAVLXKLQIFE-LLVKDONJSA-N 0 0 222.287 3.691 10 0 BHAERN Cc1cccc2c1[C@@H](C)c1ccccc1C2=O ZINC000584640665 358326776 /nfs/dbraw/zinc/32/67/76/358326776.db2.gz LRTLAVLXKLQIFE-NSHDSACASA-N 0 0 222.287 3.691 10 0 BHAERN Oc1cccc2sc3cccc(F)c3c21 ZINC000584640845 387507165 /nfs/dbraw/zinc/50/71/65/387507165.db2.gz ZZZLQAYSLRKRMT-UHFFFAOYSA-N 0 0 218.252 3.899 10 0 BHAERN CCn1c2ccc(CO)cc2c2c1cccc2C ZINC000584640974 358327297 /nfs/dbraw/zinc/32/72/97/358327297.db2.gz ADAFDHQSAAYGHP-UHFFFAOYSA-N 0 0 239.318 3.615 10 0 BHAERN CCn1c2ccc(CO)cc2c2cccc(C)c21 ZINC000584640988 358327357 /nfs/dbraw/zinc/32/73/57/358327357.db2.gz BUATVNNFHLLHCB-UHFFFAOYSA-N 0 0 239.318 3.615 10 0 BHAERN CC[C@H](O)c1ccc2c(c1)c1ccccc1n2C ZINC000584641019 358327173 /nfs/dbraw/zinc/32/71/73/358327173.db2.gz HDLUPVDQBLLYBO-INIZCTEOSA-N 0 0 239.318 3.775 10 0 BHAERN CC[C@@H](O)c1ccc2c(c1)c1ccccc1n2C ZINC000584641020 358327341 /nfs/dbraw/zinc/32/73/41/358327341.db2.gz HDLUPVDQBLLYBO-MRXNPFEDSA-N 0 0 239.318 3.775 10 0 BHAERN CCn1c2ccccc2c2cc(CO)cc(C)c21 ZINC000584641024 358327222 /nfs/dbraw/zinc/32/72/22/358327222.db2.gz IHSYFPZECQQZST-UHFFFAOYSA-N 0 0 239.318 3.615 10 0 BHAERN CCOc1cc2c3c(c(C)cc2cn1)C=CC3 ZINC000584641030 358327312 /nfs/dbraw/zinc/32/73/12/358327312.db2.gz IWAKVQCUGIZZIV-UHFFFAOYSA-N 0 0 225.291 3.511 10 0 BHAERN CCn1c2ccccc2c2cc(COC)ccc21 ZINC000584641085 358126931 /nfs/dbraw/zinc/12/69/31/358126931.db2.gz PWMHLKNDULXHEF-UHFFFAOYSA-N 0 0 239.318 3.961 10 0 BHAERN O=C1CCC(c2ccnc3ccc(F)cc32)CC1 ZINC000584641340 358327119 /nfs/dbraw/zinc/32/71/19/358327119.db2.gz RERWJKGSYCCWPW-UHFFFAOYSA-N 0 0 243.281 3.601 10 0 BHAERN O=Cc1ccc2c(c1)CCC1(CCCCC1)O2 ZINC000584642194 358327751 /nfs/dbraw/zinc/32/77/51/358327751.db2.gz VOMPPGGUBCDRLV-UHFFFAOYSA-N 0 0 230.307 3.527 10 0 BHAERN O=Cc1ccc2c(c1)CCC1(CCCCCC1)O2 ZINC000584642196 358328025 /nfs/dbraw/zinc/32/80/25/358328025.db2.gz WVKAWVHACPGQLB-UHFFFAOYSA-N 0 0 244.334 3.917 10 0 BHAERN CCSC(=O)[C@H](SCC)c1ccccc1 ZINC000584642651 358327824 /nfs/dbraw/zinc/32/78/24/358327824.db2.gz CARNXGIRNGDCSA-LLVKDONJSA-N 0 0 240.393 3.761 10 0 BHAERN CCSC(=O)[C@@H](SCC)c1ccccc1 ZINC000584642652 358327924 /nfs/dbraw/zinc/32/79/24/358327924.db2.gz CARNXGIRNGDCSA-NSHDSACASA-N 0 0 240.393 3.761 10 0 BHAERN C1=C[C@H]2[C@@H](C1)CC[C@H]2OCc1ccccc1 ZINC000584642759 358327676 /nfs/dbraw/zinc/32/76/76/358327676.db2.gz WLNITFYQFOXBAZ-SOUVJXGZSA-N 0 0 214.308 3.558 10 0 BHAERN CCOc1ccc2c(Cl)c(C)c(C)nc2c1 ZINC000584643324 358328662 /nfs/dbraw/zinc/32/86/62/358328662.db2.gz LFVQMWZHQABLIX-UHFFFAOYSA-N 0 0 235.714 3.904 10 0 BHAERN CCc1ccc2c(c1)[C@H](O)CC1(CCCCC1)O2 ZINC000584643349 358328629 /nfs/dbraw/zinc/32/86/29/358328629.db2.gz TVYWWNRCMRAGLN-CQSZACIVSA-N 0 0 246.350 3.768 10 0 BHAERN Clc1cccc(CCc2ccncc2)c1 ZINC000584643781 358329405 /nfs/dbraw/zinc/32/94/05/358329405.db2.gz BKHXFOIRNXAZAP-UHFFFAOYSA-N 0 0 217.699 3.520 10 0 BHAERN Fc1ccc(/N=c2/oc3ccccc3s2)cc1 ZINC000584643797 358329325 /nfs/dbraw/zinc/32/93/25/358329325.db2.gz FHRMYUSHERHWRN-SQFISAMPSA-N 0 0 245.278 3.866 10 0 BHAERN CC(C)c1ccc(Cl)cc1CNCC(F)F ZINC000584644052 358329207 /nfs/dbraw/zinc/32/92/07/358329207.db2.gz YPMUZVWGVJXRED-UHFFFAOYSA-N 0 0 247.716 3.818 10 0 BHAERN CC(F)(F)C(=O)CCC1CCC(F)(F)CC1 ZINC000584644141 358329528 /nfs/dbraw/zinc/32/95/28/358329528.db2.gz SXYKTHXPNQWGRB-UHFFFAOYSA-N 0 0 240.240 3.816 10 0 BHAERN CC1(C)C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000584644550 358329086 /nfs/dbraw/zinc/32/90/86/358329086.db2.gz AJPLBWBEUDXPBY-JTQLQIEISA-N 0 0 222.715 3.813 10 0 BHAERN CC1(C)C[C@H](c2cccc(Cl)c2)CC1=O ZINC000584644551 358329412 /nfs/dbraw/zinc/32/94/12/358329412.db2.gz AJPLBWBEUDXPBY-SNVBAGLBSA-N 0 0 222.715 3.813 10 0 BHAERN CC1(C)C[C@H](c2ccc(F)c(Cl)c2)CC1=O ZINC000584644602 358329764 /nfs/dbraw/zinc/32/97/64/358329764.db2.gz IDFZAFGNPCKVEZ-SECBINFHSA-N 0 0 240.705 3.952 10 0 BHAERN CC1(C)C[C@@H](c2ccc(F)c(Cl)c2)CC1=O ZINC000584644603 358329813 /nfs/dbraw/zinc/32/98/13/358329813.db2.gz IDFZAFGNPCKVEZ-VIFPVBQESA-N 0 0 240.705 3.952 10 0 BHAERN Cc1cc(F)c(F)cc1[C@@H]1CC(=O)C(C)(C)C1 ZINC000584644604 358329736 /nfs/dbraw/zinc/32/97/36/358329736.db2.gz IFLRBRBBLIRLIQ-SECBINFHSA-N 0 0 238.277 3.746 10 0 BHAERN Cc1cc(F)c(F)cc1[C@H]1CC(=O)C(C)(C)C1 ZINC000584644605 358329675 /nfs/dbraw/zinc/32/96/75/358329675.db2.gz IFLRBRBBLIRLIQ-VIFPVBQESA-N 0 0 238.277 3.746 10 0 BHAERN CC1(C)C[C@H](c2ccc(Cl)c(F)c2)CC1=O ZINC000584644667 358329771 /nfs/dbraw/zinc/32/97/71/358329771.db2.gz QUGNOBQTYAGCNU-SECBINFHSA-N 0 0 240.705 3.952 10 0 BHAERN CC1(C)C[C@@H](c2ccc(Cl)c(F)c2)CC1=O ZINC000584644668 358329927 /nfs/dbraw/zinc/32/99/27/358329927.db2.gz QUGNOBQTYAGCNU-VIFPVBQESA-N 0 0 240.705 3.952 10 0 BHAERN CC1(C)C[C@H](c2ccccc2Cl)CC1=O ZINC000584644688 358329784 /nfs/dbraw/zinc/32/97/84/358329784.db2.gz TVLIODLQQBDSDV-SECBINFHSA-N 0 0 222.715 3.813 10 0 BHAERN CC1(C)C[C@@H](c2ccccc2Cl)CC1=O ZINC000584644689 358329801 /nfs/dbraw/zinc/32/98/01/358329801.db2.gz TVLIODLQQBDSDV-VIFPVBQESA-N 0 0 222.715 3.813 10 0 BHAERN CC[C@@H]1Cc2cccc(Br)c2C1 ZINC000584645267 358128126 /nfs/dbraw/zinc/12/81/26/358128126.db2.gz DRSFALOKYWZKQC-MRVPVSSYSA-N 0 0 225.129 3.574 10 0 BHAERN CC[C@H]1Cc2cccc(Br)c2C1 ZINC000584645268 490182693 /nfs/dbraw/zinc/18/26/93/490182693.db2.gz DRSFALOKYWZKQC-QMMMGPOBSA-N 0 0 225.129 3.574 10 0 BHAERN C[C@@H]1CC2(CC2)c2cccc(Br)c21 ZINC000584645352 490182430 /nfs/dbraw/zinc/18/24/30/490182430.db2.gz KVHGAJGQMDXLBA-MRVPVSSYSA-N 0 0 237.140 3.988 10 0 BHAERN C[C@H]1CC2(CC2)c2cccc(Br)c21 ZINC000584645354 490182677 /nfs/dbraw/zinc/18/26/77/490182677.db2.gz KVHGAJGQMDXLBA-QMMMGPOBSA-N 0 0 237.140 3.988 10 0 BHAERN Oc1ccccc1O[C@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@@H]12 ZINC000584645692 488022879 /nfs/dbraw/zinc/02/28/79/488022879.db2.gz QVXMUEOJMOBKRV-ZWEPEPIOSA-N 0 0 244.334 3.596 10 0 BHAERN CCOc1cc(Cl)ccc1-c1cccnc1 ZINC000584646559 490183343 /nfs/dbraw/zinc/18/33/43/490183343.db2.gz YIHYXJXJJYXJHP-UHFFFAOYSA-N 0 0 233.698 3.801 10 0 BHAERN C[C@@H]1Cc2c(cccc2Br)C1(C)C ZINC000584646851 358331596 /nfs/dbraw/zinc/33/15/96/358331596.db2.gz AELKLZWOWMEOOU-MRVPVSSYSA-N 0 0 239.156 3.919 10 0 BHAERN C[C@H]1Cc2c(cccc2Br)C1(C)C ZINC000584646853 358331797 /nfs/dbraw/zinc/33/17/97/358331797.db2.gz AELKLZWOWMEOOU-QMMMGPOBSA-N 0 0 239.156 3.919 10 0 BHAERN CC12CC3(C)CC(C)(C1)CC(OC(N)=O)(C2)C3 ZINC000584647018 358331682 /nfs/dbraw/zinc/33/16/82/358331682.db2.gz MIKFJNBYQPRFPD-UHFFFAOYSA-N 0 0 237.343 3.635 10 0 BHAERN C[C@@H]1C[C@H](C(C)(C)C)c2cccc(N)c21 ZINC000584647474 358301519 /nfs/dbraw/zinc/30/15/19/358301519.db2.gz ADKRPWYECKEZOE-KOLCDFICSA-N 0 0 203.329 3.906 10 0 BHAERN CC[Si](CC)(CC)c1ccc(C)s1 ZINC000584647483 358301805 /nfs/dbraw/zinc/30/18/05/358301805.db2.gz KTGPXZLRJQIPOT-UHFFFAOYSA-N 0 0 212.434 3.772 10 0 BHAERN CC(=O)Nc1ccc(C)cc1SC(F)(F)F ZINC000584647556 358302278 /nfs/dbraw/zinc/30/22/78/358302278.db2.gz WBRBTRNTALXATM-UHFFFAOYSA-N 0 0 249.257 3.565 10 0 BHAERN CCCCSC(=O)c1ccccc1C ZINC000584647607 358302179 /nfs/dbraw/zinc/30/21/79/358302179.db2.gz PXAIRPISTHLIDZ-UHFFFAOYSA-N 0 0 208.326 3.669 10 0 BHAERN Brc1cccc2c1CC21CCCC1 ZINC000584647747 398080796 /nfs/dbraw/zinc/08/07/96/398080796.db2.gz FENBUWXEXYCHCI-UHFFFAOYSA-N 0 0 237.140 3.817 10 0 BHAERN Cc1nc(=O)c2cc(C3CCCCC3)sc2[nH]1 ZINC000584648004 358302927 /nfs/dbraw/zinc/30/29/27/358302927.db2.gz PKUBDISJFHAHPF-UHFFFAOYSA-N 0 0 248.351 3.753 10 0 BHAERN FC(F)(F)C[C@H]1CCNc2ccccc21 ZINC000584648098 358302738 /nfs/dbraw/zinc/30/27/38/358302738.db2.gz AEDUXYMANZMUDD-MRVPVSSYSA-N 0 0 215.218 3.538 10 0 BHAERN FC(F)(F)C[C@@H]1CCNc2ccccc21 ZINC000584648100 358302922 /nfs/dbraw/zinc/30/29/22/358302922.db2.gz AEDUXYMANZMUDD-QMMMGPOBSA-N 0 0 215.218 3.538 10 0 BHAERN CCc1cc(Br)c2cccnc2c1 ZINC000584648127 358302907 /nfs/dbraw/zinc/30/29/07/358302907.db2.gz BSNBJYRKDWCXSF-UHFFFAOYSA-N 0 0 236.112 3.560 10 0 BHAERN Oc1ccc(CC2=CCCc3ccccc32)cc1 ZINC000584648252 358302819 /nfs/dbraw/zinc/30/28/19/358302819.db2.gz CWDQMKKMBPCYFX-UHFFFAOYSA-N 0 0 236.314 3.965 10 0 BHAERN COc1cc2c(cc1C(C)C)CCCC2 ZINC000584648289 358302915 /nfs/dbraw/zinc/30/29/15/358302915.db2.gz YNYGYQLNDZHIFP-UHFFFAOYSA-N 0 0 204.313 3.697 10 0 BHAERN CCc1cc(Br)cc2ncccc12 ZINC000584648356 358302574 /nfs/dbraw/zinc/30/25/74/358302574.db2.gz GQWNHMBZDVGJES-UHFFFAOYSA-N 0 0 236.112 3.560 10 0 BHAERN Cc1cc(Cl)c2c(C)c(C)ccc2n1 ZINC000584648371 358302747 /nfs/dbraw/zinc/30/27/47/358302747.db2.gz DEMIONXYEHFWQU-UHFFFAOYSA-N 0 0 205.688 3.813 10 0 BHAERN Cc1ccc(F)c2nc(Cl)cc(Cl)c12 ZINC000584648563 358303284 /nfs/dbraw/zinc/30/32/84/358303284.db2.gz OCRVXNRKESPGQF-UHFFFAOYSA-N 0 0 230.069 3.989 10 0 BHAERN Cc1cc(Cl)c2cc(C)c(F)c(C)c2n1 ZINC000584648622 358303261 /nfs/dbraw/zinc/30/32/61/358303261.db2.gz JPECKFOJLZTGJR-UHFFFAOYSA-N 0 0 223.678 3.953 10 0 BHAERN CC(C)Sc1cc(Cl)nc(Cl)c1 ZINC000584648734 358303177 /nfs/dbraw/zinc/30/31/77/358303177.db2.gz NJZQDDGCVQEIJZ-UHFFFAOYSA-N 0 0 222.140 3.889 10 0 BHAERN FC(F)c1coc(/C=C/c2ccccc2)n1 ZINC000584648834 358303341 /nfs/dbraw/zinc/30/33/41/358303341.db2.gz QCMIPGHDMFWCHD-VOTSOKGWSA-N 0 0 221.206 3.783 10 0 BHAERN Brc1cc(C2CC2)cc2ncccc12 ZINC000584648912 358303459 /nfs/dbraw/zinc/30/34/59/358303459.db2.gz YATBLHYJCQILRL-UHFFFAOYSA-N 0 0 248.123 3.875 10 0 BHAERN FC(F)(F)c1ccc(C2CC2)nc1Cl ZINC000584649241 358304354 /nfs/dbraw/zinc/30/43/54/358304354.db2.gz YYDIPINDRVFMBP-UHFFFAOYSA-N 0 0 221.609 3.631 10 0 BHAERN CCCCCCc1cc(-c2ccncc2)n[nH]1 ZINC000584649278 358304060 /nfs/dbraw/zinc/30/40/60/358304060.db2.gz JFEBWNTYBFXOCM-UHFFFAOYSA-N 0 0 229.327 3.595 10 0 BHAERN Clc1ccc2c(c1)NCc1ccccc1-2 ZINC000584649308 358304104 /nfs/dbraw/zinc/30/41/04/358304104.db2.gz NOTAHTKKHFLMPD-UHFFFAOYSA-N 0 0 215.683 3.933 10 0 BHAERN c1cc2nc(C3=CCCCC3)sc2cn1 ZINC000584649734 358304058 /nfs/dbraw/zinc/30/40/58/358304058.db2.gz JDFDHVVGBCCVHY-UHFFFAOYSA-N 0 0 216.309 3.649 10 0 BHAERN C[C@@H]1CCCC[C@H]1c1nc2ccncc2s1 ZINC000584649862 358304548 /nfs/dbraw/zinc/30/45/48/358304548.db2.gz SAYKZRAZUTXIIG-NXEZZACHSA-N 0 0 232.352 3.985 10 0 BHAERN C[C@H]1CCCC[C@H]1c1nc2ccncc2s1 ZINC000584649864 358304513 /nfs/dbraw/zinc/30/45/13/358304513.db2.gz SAYKZRAZUTXIIG-VHSXEESVSA-N 0 0 232.352 3.985 10 0 BHAERN C[C@@H]1CCCC=C1c1nc2ccncc2s1 ZINC000584649871 358304642 /nfs/dbraw/zinc/30/46/42/358304642.db2.gz UBMWEFJTHGYALB-SECBINFHSA-N 0 0 230.336 3.895 10 0 BHAERN C[C@H]1CCCC=C1c1nc2ccncc2s1 ZINC000584649872 358304625 /nfs/dbraw/zinc/30/46/25/358304625.db2.gz UBMWEFJTHGYALB-VIFPVBQESA-N 0 0 230.336 3.895 10 0 BHAERN CC(C)C(=O)N[C@@H](C)C12CCC(C)(CC1)CC2 ZINC000584649956 358304601 /nfs/dbraw/zinc/30/46/01/358304601.db2.gz GNRRNICNDLVLMZ-GRTSSRMGSA-N 0 0 237.387 3.508 10 0 BHAERN CC(C)C(=O)N[C@H](C)C12CCC(C)(CC1)CC2 ZINC000584649957 358304553 /nfs/dbraw/zinc/30/45/53/358304553.db2.gz GNRRNICNDLVLMZ-LRVUVFPRSA-N 0 0 237.387 3.508 10 0 BHAERN C/C(=C\c1ccccn1)c1ccc(C)cc1 ZINC000584650215 488020185 /nfs/dbraw/zinc/02/01/85/488020185.db2.gz PHOMJLHOKYLIDN-ACCUITESSA-N 0 0 209.292 3.951 10 0 BHAERN C1CC2(CS1)C1CC3CC(C1)CC2C3 ZINC000584650420 358304999 /nfs/dbraw/zinc/30/49/99/358304999.db2.gz JAHMUTDISCFYNJ-UHFFFAOYSA-N 0 0 208.370 3.566 10 0 BHAERN COc1ccc([C@H](C)[C@@H](C)c2ccccn2)cc1 ZINC000584650482 358304962 /nfs/dbraw/zinc/30/49/62/358304962.db2.gz MMDADAYYVGRYPN-CHWSQXEVSA-N 0 0 241.334 3.997 10 0 BHAERN COc1ccc([C@H](C)[C@H](C)c2ccccn2)cc1 ZINC000584650485 358305062 /nfs/dbraw/zinc/30/50/62/358305062.db2.gz MMDADAYYVGRYPN-OLZOCXBDSA-N 0 0 241.334 3.997 10 0 BHAERN COc1ccc([C@@H](C)[C@@H](C)c2ccccn2)cc1 ZINC000584650486 358305031 /nfs/dbraw/zinc/30/50/31/358305031.db2.gz MMDADAYYVGRYPN-QWHCGFSZSA-N 0 0 241.334 3.997 10 0 BHAERN COc1ccc([C@@H](C)[C@H](C)c2ccccn2)cc1 ZINC000584650487 358305003 /nfs/dbraw/zinc/30/50/03/358305003.db2.gz MMDADAYYVGRYPN-STQMWFEESA-N 0 0 241.334 3.997 10 0 BHAERN CN(C)C(=O)CC1CCC2(CCCCC2)CC1 ZINC000584650617 358305007 /nfs/dbraw/zinc/30/50/07/358305007.db2.gz VIEXUSMQOXQSOY-UHFFFAOYSA-N 0 0 237.387 3.605 10 0 BHAERN CCOC(=O)C1CCC2(CCC(C)CC2)CC1 ZINC000584650630 358305038 /nfs/dbraw/zinc/30/50/38/358305038.db2.gz YCKJKGGAWIQKGT-UHFFFAOYSA-N 0 0 238.371 3.936 10 0 BHAERN c1ccc2c(c1)Oc1ccccc1C21CCCO1 ZINC000584650640 358304964 /nfs/dbraw/zinc/30/49/64/358304964.db2.gz ZGOXAVCQDGOCET-UHFFFAOYSA-N 0 0 238.286 3.846 10 0 BHAERN CCN1c2c(C)cccc2C=CC1(C)C ZINC000584650705 358304978 /nfs/dbraw/zinc/30/49/78/358304978.db2.gz DKSFBBCCPHDIPP-UHFFFAOYSA-N 0 0 201.313 3.627 10 0 BHAERN O=C(Sc1cccs1)c1ccccc1 ZINC000584650716 358305000 /nfs/dbraw/zinc/30/50/00/358305000.db2.gz GBOBTJQSLWYZNQ-UHFFFAOYSA-N 0 0 220.318 3.681 10 0 BHAERN CCCc1ccc(Oc2ccncc2)cc1 ZINC000584650917 358305658 /nfs/dbraw/zinc/30/56/58/358305658.db2.gz WHWPAFHZUFHMCR-UHFFFAOYSA-N 0 0 213.280 3.826 10 0 BHAERN C/C=C(/OC)c1ccc(CC(C)C)nc1Cl ZINC000584650997 358305487 /nfs/dbraw/zinc/30/54/87/358305487.db2.gz OPWLMTCBOXSDAR-LFYBBSHMSA-N 0 0 239.746 3.941 10 0 BHAERN COP(=Nc1ccc(C)cc1)(OC)OC ZINC000584651072 358305613 /nfs/dbraw/zinc/30/56/13/358305613.db2.gz ZKOINQLOXFJXDA-UHFFFAOYSA-N 0 0 229.216 3.512 10 0 BHAERN CP(CCOC(C)(C)C)CCOC(C)(C)C ZINC000584651097 358305511 /nfs/dbraw/zinc/30/55/11/358305511.db2.gz HRHGMKVIXVTTRO-UHFFFAOYSA-N 0 0 248.347 3.728 10 0 BHAERN Fc1ccc(CCCCc2cccnc2)cc1 ZINC000584651132 358305845 /nfs/dbraw/zinc/30/58/45/358305845.db2.gz RDYPOMGAZJKWBS-UHFFFAOYSA-N 0 0 229.298 3.786 10 0 BHAERN Fc1ccccc1[C@@H]1O[C@H]1c1ccccc1F ZINC000584651187 358306345 /nfs/dbraw/zinc/30/63/45/358306345.db2.gz VWXLHICPYZZCDK-KBPBESRZSA-N 0 0 232.229 3.777 10 0 BHAERN Fc1ccccc1[C@H]1O[C@H]1c1ccccc1F ZINC000584651188 358306287 /nfs/dbraw/zinc/30/62/87/358306287.db2.gz VWXLHICPYZZCDK-OKILXGFUSA-N 0 0 232.229 3.777 10 0 BHAERN Fc1ccccc1[C@H]1O[C@@H]1c1ccccc1F ZINC000584651189 358306151 /nfs/dbraw/zinc/30/61/51/358306151.db2.gz VWXLHICPYZZCDK-ZIAGYGMSSA-N 0 0 232.229 3.777 10 0 BHAERN Oc1ccc([C@@H]2CC[C@H]2c2ccc(O)cc2)cc1 ZINC000584651266 358306491 /nfs/dbraw/zinc/30/64/91/358306491.db2.gz MRZWSLYEMRSGJM-HOTGVXAUSA-N 0 0 240.302 3.759 10 0 BHAERN Cc1ccc([C@@H]2[NH2+]Cc3cccc4[nH]cc2c43)cc1 ZINC000584651337 358306189 /nfs/dbraw/zinc/30/61/89/358306189.db2.gz XSKANOQFSSZHFD-KRWDZBQOSA-N 0 0 248.329 3.669 10 0 BHAERN Cc1ccc([C@H]2[NH2+]Cc3cccc4[nH]cc2c43)cc1 ZINC000584651338 358306512 /nfs/dbraw/zinc/30/65/12/358306512.db2.gz XSKANOQFSSZHFD-QGZVFWFLSA-N 0 0 248.329 3.669 10 0 BHAERN CCCOc1ccc(Cl)c2ccc(C)nc12 ZINC000584651785 358306861 /nfs/dbraw/zinc/30/68/61/358306861.db2.gz ILMYQWWGNHDKNO-UHFFFAOYSA-N 0 0 235.714 3.985 10 0 BHAERN CCc1ccc2c(c1)OC1(CCCCC1)CC2=O ZINC000584652088 358307050 /nfs/dbraw/zinc/30/70/50/358307050.db2.gz HBLWTKWMCBQGTL-UHFFFAOYSA-N 0 0 244.334 3.917 10 0 BHAERN CC(C)(C)c1coc(-c2ccc(F)cc2)n1 ZINC000584652201 358307219 /nfs/dbraw/zinc/30/72/19/358307219.db2.gz PFGSQDMXYRKTST-UHFFFAOYSA-N 0 0 219.259 3.778 10 0 BHAERN COc1cc2c(c(C)c1C)C(=O)[C@H]1CCCC[C@@H]21 ZINC000584654293 358308347 /nfs/dbraw/zinc/30/83/47/358308347.db2.gz XDOSKCUFJGNLOO-NEPJUHHUSA-N 0 0 244.334 3.782 10 0 BHAERN Cc1cc([C@H]2C[C@@H]3C=C[C@H]2C3)cc(C)c1N ZINC000584655802 358308464 /nfs/dbraw/zinc/30/84/64/358308464.db2.gz QCPWPGIAKHUFGA-DYEKYZERSA-N 0 0 213.324 3.565 10 0 BHAERN CSC[C@H](CSC(C)(C)C)SC ZINC000584656864 358308352 /nfs/dbraw/zinc/30/83/52/358308352.db2.gz DQWNTCQKTKNPBP-MRVPVSSYSA-N 0 0 224.460 3.613 10 0 BHAERN CSC[C@@H](CSC(C)(C)C)SC ZINC000584656866 358308392 /nfs/dbraw/zinc/30/83/92/358308392.db2.gz DQWNTCQKTKNPBP-QMMMGPOBSA-N 0 0 224.460 3.613 10 0 BHAERN CSCC(CSC)SC(C)(C)C ZINC000584656939 358308870 /nfs/dbraw/zinc/30/88/70/358308870.db2.gz JSXGQXNUVILWKJ-UHFFFAOYSA-N 0 0 224.460 3.613 10 0 BHAERN CSC[C@H](CSc1ccccc1)SC ZINC000584656940 358308993 /nfs/dbraw/zinc/30/89/93/358308993.db2.gz LBCGUESTWKDWCX-LLVKDONJSA-N 0 0 244.450 3.873 10 0 BHAERN CSC[C@@H](CSc1ccccc1)SC ZINC000584656942 358308767 /nfs/dbraw/zinc/30/87/67/358308767.db2.gz LBCGUESTWKDWCX-NSHDSACASA-N 0 0 244.450 3.873 10 0 BHAERN CC(=O)O[C@@H](C=C(Cl)Cl)c1ccccc1 ZINC000584656983 358308545 /nfs/dbraw/zinc/30/85/45/358308545.db2.gz PMIBMHVXEKRGQM-JTQLQIEISA-N 0 0 245.105 3.610 10 0 BHAERN CC(=O)O[C@H](C=C(Cl)Cl)c1ccccc1 ZINC000584656984 358308902 /nfs/dbraw/zinc/30/89/02/358308902.db2.gz PMIBMHVXEKRGQM-SNVBAGLBSA-N 0 0 245.105 3.610 10 0 BHAERN CSCC(CSC)Sc1ccccc1 ZINC000584657055 358308860 /nfs/dbraw/zinc/30/88/60/358308860.db2.gz YABOWAMUHSCINS-UHFFFAOYSA-N 0 0 244.450 3.873 10 0 BHAERN O=c1sc2c(Cl)sc(Cl)c2s1 ZINC000584657295 358309342 /nfs/dbraw/zinc/30/93/42/358309342.db2.gz RPFPHZMIXVHBTH-UHFFFAOYSA-N 0 0 243.161 3.691 10 0 BHAERN C/C=C(\SC)SC(=O)c1ccccc1 ZINC000584657373 358309429 /nfs/dbraw/zinc/30/94/29/358309429.db2.gz LDLSEXAZSKMSSL-XCVCLJGOSA-N 0 0 224.350 3.784 10 0 BHAERN Br/C=C/CCCc1ccccc1 ZINC000584660720 358311955 /nfs/dbraw/zinc/31/19/55/358311955.db2.gz ISYYPACFPMVXTI-UXBLZVDNSA-N 0 0 225.129 3.918 10 0 BHAERN O=Cc1cc(F)c(-c2ccccc2)c(Cl)c1 ZINC000584661860 358312638 /nfs/dbraw/zinc/31/26/38/358312638.db2.gz ZYXQERWTCYDPLY-UHFFFAOYSA-N 0 0 234.657 3.959 10 0 BHAERN Cc1nc2c(F)cccc2cc1C(C)C ZINC000584880170 343080397 /nfs/dbraw/zinc/08/03/97/343080397.db2.gz CZSLNWDVKSUIJC-UHFFFAOYSA-N 0 0 203.260 3.806 10 0 BHAERN Cc1nc2c(F)cccc2cc1CC(C)C ZINC000584880179 343080434 /nfs/dbraw/zinc/08/04/34/343080434.db2.gz FSSLTENOFNGIOV-UHFFFAOYSA-N 0 0 217.287 3.881 10 0 BHAERN CCCc1nc2c(F)cccc2cc1CC ZINC000584880366 343080971 /nfs/dbraw/zinc/08/09/71/343080971.db2.gz VNEJFWZFBGUDCM-UHFFFAOYSA-N 0 0 217.287 3.889 10 0 BHAERN C[C@]1(c2ccccc2)CC(F)(F)C1(F)F ZINC000584880831 343081508 /nfs/dbraw/zinc/08/15/08/343081508.db2.gz HUHYFTGITCVZDX-SECBINFHSA-N 0 0 218.193 3.619 10 0 BHAERN C[C@@]1(c2ccccc2)CC(F)(F)C1(F)F ZINC000584880835 343081506 /nfs/dbraw/zinc/08/15/06/343081506.db2.gz HUHYFTGITCVZDX-VIFPVBQESA-N 0 0 218.193 3.619 10 0 BHAERN FC(F)(F)c1cnc(Cl)c(C2CC2)c1 ZINC000584881073 343082112 /nfs/dbraw/zinc/08/21/12/343082112.db2.gz LSBHPADIGYQFHC-UHFFFAOYSA-N 0 0 221.609 3.631 10 0 BHAERN Cc1c(C=O)c2cc(Cl)ccc2n1C(C)C ZINC000584881234 343082041 /nfs/dbraw/zinc/08/20/41/343082041.db2.gz NSIXEXNDYCXYFR-UHFFFAOYSA-N 0 0 235.714 3.997 10 0 BHAERN Cc1ccc([C@H]2CC(F)(F)C2(F)F)cc1 ZINC000584881393 343082383 /nfs/dbraw/zinc/08/23/83/343082383.db2.gz RJYKPIAEZUGTKF-SECBINFHSA-N 0 0 218.193 3.753 10 0 BHAERN Cc1ccc([C@@H]2CC(F)(F)C2(F)F)cc1 ZINC000584881403 343082436 /nfs/dbraw/zinc/08/24/36/343082436.db2.gz RJYKPIAEZUGTKF-VIFPVBQESA-N 0 0 218.193 3.753 10 0 BHAERN Fc1ccc([C@H]2CC(F)(F)C2(F)F)cc1 ZINC000584881494 343082466 /nfs/dbraw/zinc/08/24/66/343082466.db2.gz TVKODWPCSQWWDO-MRVPVSSYSA-N 0 0 222.156 3.584 10 0 BHAERN Fc1ccc([C@@H]2CC(F)(F)C2(F)F)cc1 ZINC000584881495 343082501 /nfs/dbraw/zinc/08/25/01/343082501.db2.gz TVKODWPCSQWWDO-QMMMGPOBSA-N 0 0 222.156 3.584 10 0 BHAERN Fc1ncc(-c2cccs2)cc1C(F)(F)F ZINC000584881614 343082865 /nfs/dbraw/zinc/08/28/65/343082865.db2.gz XKANFTXDJXUFIN-UHFFFAOYSA-N 0 0 247.216 3.968 10 0 BHAERN Nc1cnc2cc(Cl)c(Cl)c(Cl)c2c1 ZINC000584882138 343084112 /nfs/dbraw/zinc/08/41/12/343084112.db2.gz OQJVYQMSHCREBX-UHFFFAOYSA-N 0 0 247.512 3.777 10 0 BHAERN Nc1cnc2c(Cl)cc(Cl)c(Cl)c2c1 ZINC000584882362 343084564 /nfs/dbraw/zinc/08/45/64/343084564.db2.gz DQCJLLIFXAJBJC-UHFFFAOYSA-N 0 0 247.512 3.777 10 0 BHAERN COc1cc2c(cc1F)cc(Cl)nc2Cl ZINC000584883058 343085873 /nfs/dbraw/zinc/08/58/73/343085873.db2.gz IEQQEFVARMURER-UHFFFAOYSA-N 0 0 246.068 3.689 10 0 BHAERN CC[C@@H](C)C(=O)c1cc2c(ccnc2Cl)o1 ZINC000584883573 343086708 /nfs/dbraw/zinc/08/67/08/343086708.db2.gz VGLXSLMDFOFMOS-SSDOTTSWSA-N 0 0 237.686 3.710 10 0 BHAERN CC[C@H](C)C(=O)c1cc2c(ccnc2Cl)o1 ZINC000584883574 343086716 /nfs/dbraw/zinc/08/67/16/343086716.db2.gz VGLXSLMDFOFMOS-ZETCQYMHSA-N 0 0 237.686 3.710 10 0 BHAERN C[C@@H]1CCCC[C@H]1Oc1ccccc1CCCO ZINC000584907141 491126191 /nfs/dbraw/zinc/12/61/91/491126191.db2.gz DPLPACOUWRVFGN-UKRRQHHQSA-N 0 0 248.366 3.569 10 0 BHAERN C[C@H]1CCCC[C@@H]1Oc1ccccc1CCCO ZINC000584907142 491126187 /nfs/dbraw/zinc/12/61/87/491126187.db2.gz DPLPACOUWRVFGN-ZFWWWQNUSA-N 0 0 248.366 3.569 10 0 BHAERN C[C@H]1CCCC[C@@H]1Oc1cccc(CCCO)c1 ZINC000584907145 491126174 /nfs/dbraw/zinc/12/61/74/491126174.db2.gz JJZSJNNKXMZXAQ-BBRMVZONSA-N 0 0 248.366 3.569 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Oc1cccc(CCCO)c1 ZINC000584907146 491126175 /nfs/dbraw/zinc/12/61/75/491126175.db2.gz JJZSJNNKXMZXAQ-CJNGLKHVSA-N 0 0 248.366 3.569 10 0 BHAERN C[C@@H]1CCCC[C@H]1Oc1cccc(CCCO)c1 ZINC000584907147 491126172 /nfs/dbraw/zinc/12/61/72/491126172.db2.gz JJZSJNNKXMZXAQ-CZUORRHYSA-N 0 0 248.366 3.569 10 0 BHAERN C[C@H]1CCCC[C@H]1Oc1cccc(CCCO)c1 ZINC000584907148 491126183 /nfs/dbraw/zinc/12/61/83/491126183.db2.gz JJZSJNNKXMZXAQ-XJKSGUPXSA-N 0 0 248.366 3.569 10 0 BHAERN C[C@H]1CCCC[C@@H]1Oc1ccc(CCCO)cc1 ZINC000584907168 490340174 /nfs/dbraw/zinc/34/01/74/490340174.db2.gz ZIKTUEUPTXROBT-BBRMVZONSA-N 0 0 248.366 3.569 10 0 BHAERN C[C@@H]1CCCC[C@@H]1Oc1ccc(CCCO)cc1 ZINC000584907169 490339829 /nfs/dbraw/zinc/33/98/29/490339829.db2.gz ZIKTUEUPTXROBT-CJNGLKHVSA-N 0 0 248.366 3.569 10 0 BHAERN C[C@@H]1CCCC[C@H]1Oc1ccc(CCCO)cc1 ZINC000584907170 490340072 /nfs/dbraw/zinc/34/00/72/490340072.db2.gz ZIKTUEUPTXROBT-CZUORRHYSA-N 0 0 248.366 3.569 10 0 BHAERN C[C@H]1CCCC[C@H]1Oc1ccc(CCCO)cc1 ZINC000584907171 490340167 /nfs/dbraw/zinc/34/01/67/490340167.db2.gz ZIKTUEUPTXROBT-XJKSGUPXSA-N 0 0 248.366 3.569 10 0 BHAERN CCCOC[C@@H](C)C(C)[C@H](C)COCCC ZINC000585138915 346647852 /nfs/dbraw/zinc/64/78/52/346647852.db2.gz NYPCTSDKUWTHOF-CHWSQXEVSA-N 0 0 230.392 3.748 10 0 BHAERN CCCOC[C@H](C)C(C)[C@@H](C)COCCC ZINC000585138916 346647810 /nfs/dbraw/zinc/64/78/10/346647810.db2.gz NYPCTSDKUWTHOF-STQMWFEESA-N 0 0 230.392 3.748 10 0 BHAERN CCCOC[C@H](C)[C@@H](C)[C@H](C)COCCC ZINC000585138917 346647972 /nfs/dbraw/zinc/64/79/72/346647972.db2.gz NYPCTSDKUWTHOF-WDNDVIMCSA-N 0 0 230.392 3.748 10 0 BHAERN Cc1cc(C(C)(C)C)nc2ccc(F)cc12 ZINC000605702082 538928561 /nfs/dbraw/zinc/92/85/61/538928561.db2.gz LKXKTLVJMOHYQL-UHFFFAOYSA-N 0 0 217.287 3.980 10 0 BHAERN Br/C=C/C1CCCCCC1 ZINC000606276549 538929929 /nfs/dbraw/zinc/92/99/29/538929929.db2.gz GRBLTZLJXANTRA-BQYQJAHWSA-N 0 0 203.123 3.865 10 0 BHAERN C[C@@H]1CCCC[C@H]1/C=C/Br ZINC000606276564 538930039 /nfs/dbraw/zinc/93/00/39/538930039.db2.gz JCJKHAOYDASJOR-BXELRRQVSA-N 0 0 203.123 3.721 10 0 BHAERN C[C@@H]1CCCC[C@@H]1/C=C/Br ZINC000606276566 538930029 /nfs/dbraw/zinc/93/00/29/538930029.db2.gz JCJKHAOYDASJOR-VRIGTBSNSA-N 0 0 203.123 3.721 10 0 BHAERN CC1CCC(/C=C/Br)CC1 ZINC000606276578 538930272 /nfs/dbraw/zinc/93/02/72/538930272.db2.gz KCMNVXVOHOZZBD-VOTSOKGWSA-N 0 0 203.123 3.721 10 0 BHAERN C[C@@H]1CCC[C@H](/C=C/Br)C1 ZINC000606276613 538929949 /nfs/dbraw/zinc/92/99/49/538929949.db2.gz OHIXEJFDSUOMEB-JKKBLNIGSA-N 0 0 203.123 3.721 10 0 BHAERN C[C@@H]1CCC[C@@H](/C=C/Br)C1 ZINC000606276614 538930288 /nfs/dbraw/zinc/93/02/88/538930288.db2.gz OHIXEJFDSUOMEB-RKWMXMRGSA-N 0 0 203.123 3.721 10 0 BHAERN Cc1ccc(/C=C/Br)cc1C ZINC000606282363 538929749 /nfs/dbraw/zinc/92/97/49/538929749.db2.gz BHOKJIJBKLGTHA-AATRIKPKSA-N 0 0 211.102 3.669 10 0 BHAERN Cc1cccc(C)c1/C=C/Br ZINC000606282435 538929504 /nfs/dbraw/zinc/92/95/04/538929504.db2.gz LPVKWRFTUZFQRX-VOTSOKGWSA-N 0 0 211.102 3.669 10 0 BHAERN Cc1cc(C)cc(/C=C/Br)c1 ZINC000606282731 538929745 /nfs/dbraw/zinc/92/97/45/538929745.db2.gz VFLFHDDWOLDJRP-ONEGZZNKSA-N 0 0 211.102 3.669 10 0 BHAERN Cc1cccc(/C=C/Br)c1C ZINC000606282766 538929707 /nfs/dbraw/zinc/92/97/07/538929707.db2.gz XXNJQJSBIGKCJX-VOTSOKGWSA-N 0 0 211.102 3.669 10 0 BHAERN CC(C)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000606289983 351487368 /nfs/dbraw/zinc/48/73/68/351487368.db2.gz QFISYYGRHFSBHP-GFCCVEGCSA-N 0 0 241.375 3.680 10 0 BHAERN CC(C)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000606289985 351487402 /nfs/dbraw/zinc/48/74/02/351487402.db2.gz QFISYYGRHFSBHP-LBPRGKRZSA-N 0 0 241.375 3.680 10 0 BHAERN Cc1cc(C)c2ccc(C(F)F)nc2c1 ZINC000606302306 351554662 /nfs/dbraw/zinc/55/46/62/351554662.db2.gz CBEAYECQJYBBJD-UHFFFAOYSA-N 0 0 207.223 3.789 10 0 BHAERN Cc1ccc2c(C(F)F)ccnc2c1C ZINC000606302420 372092196 /nfs/dbraw/zinc/09/21/96/372092196.db2.gz FIZQAKKVTRVORL-UHFFFAOYSA-N 0 0 207.223 3.789 10 0 BHAERN Cc1cc2nccc(C(F)F)c2cc1C ZINC000606302598 351557680 /nfs/dbraw/zinc/55/76/80/351557680.db2.gz FSYSHACKHGQVDO-UHFFFAOYSA-N 0 0 207.223 3.789 10 0 BHAERN Cc1ccc(C)c2nc(C(F)F)ccc12 ZINC000606302603 351558506 /nfs/dbraw/zinc/55/85/06/351558506.db2.gz FYRGHJBLKKUAEN-UHFFFAOYSA-N 0 0 207.223 3.789 10 0 BHAERN Cc1ccc(C)c2c(C(F)F)ccnc12 ZINC000606302713 372092076 /nfs/dbraw/zinc/09/20/76/372092076.db2.gz IZKXHGDEERTAAY-UHFFFAOYSA-N 0 0 207.223 3.789 10 0 BHAERN Cc1nn(-c2ccccc2)c(Cl)c1C(F)F ZINC000606302732 372091997 /nfs/dbraw/zinc/09/19/97/372091997.db2.gz JZDXFVQZTJZHNI-UHFFFAOYSA-N 0 0 242.656 3.772 10 0 BHAERN FC(F)c1ccc2ccc(Cl)cc2n1 ZINC000606302890 372092010 /nfs/dbraw/zinc/09/20/10/372092010.db2.gz AVRITFWKUNNJPQ-UHFFFAOYSA-N 0 0 213.614 3.826 10 0 BHAERN Cc1cc2ccc(C(F)F)nc2cc1C ZINC000606302899 372091887 /nfs/dbraw/zinc/09/18/87/372091887.db2.gz KZSDQIFDTLBIAE-UHFFFAOYSA-N 0 0 207.223 3.789 10 0 BHAERN F[C@H]1CC[C@@H](c2nc3ccccc3s2)C1 ZINC000606303053 351558560 /nfs/dbraw/zinc/55/85/60/351558560.db2.gz CJAQFWGTBPQYDZ-BDAKNGLRSA-N 0 0 221.300 3.902 10 0 BHAERN F[C@@H]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000606303054 351558669 /nfs/dbraw/zinc/55/86/69/351558669.db2.gz CJAQFWGTBPQYDZ-DTWKUNHWSA-N 0 0 221.300 3.902 10 0 BHAERN F[C@H]1CC[C@H](c2nc3ccccc3s2)C1 ZINC000606303055 351558676 /nfs/dbraw/zinc/55/86/76/351558676.db2.gz CJAQFWGTBPQYDZ-IUCAKERBSA-N 0 0 221.300 3.902 10 0 BHAERN F[C@@H]1CC[C@@H](c2nc3ccccc3s2)C1 ZINC000606303056 351558602 /nfs/dbraw/zinc/55/86/02/351558602.db2.gz CJAQFWGTBPQYDZ-RKDXNWHRSA-N 0 0 221.300 3.902 10 0 BHAERN CCO[C@@H](CCF)c1nc2ccccc2s1 ZINC000606303323 351559641 /nfs/dbraw/zinc/55/96/41/351559641.db2.gz DAXGQRRBCGAQTM-JTQLQIEISA-N 0 0 239.315 3.734 10 0 BHAERN CCO[C@H](CCF)c1nc2ccccc2s1 ZINC000606303325 372092971 /nfs/dbraw/zinc/09/29/71/372092971.db2.gz DAXGQRRBCGAQTM-SNVBAGLBSA-N 0 0 239.315 3.734 10 0 BHAERN Cc1ccc(F)c2nc(C(F)F)ccc12 ZINC000606303450 372093396 /nfs/dbraw/zinc/09/33/96/372093396.db2.gz FQQZEZBAODFCMY-UHFFFAOYSA-N 0 0 211.186 3.620 10 0 BHAERN Cc1cc(C)c2c(c1)nccc2C(F)F ZINC000606303827 372093123 /nfs/dbraw/zinc/09/31/23/372093123.db2.gz WWLMVCODXUVYMX-UHFFFAOYSA-N 0 0 207.223 3.789 10 0 BHAERN Cc1ccc2ccc(C(F)F)nc2c1C ZINC000606303837 372092742 /nfs/dbraw/zinc/09/27/42/372092742.db2.gz XGFJECZIAYHCNX-UHFFFAOYSA-N 0 0 207.223 3.789 10 0 BHAERN FC(F)c1ccnc2cc(Cl)ccc21 ZINC000606303967 372093101 /nfs/dbraw/zinc/09/31/01/372093101.db2.gz ZLYJFFBYFQWXSO-UHFFFAOYSA-N 0 0 213.614 3.826 10 0 BHAERN COc1ccc2nc(C(F)F)ccc2c1Cl ZINC000606304016 386073258 /nfs/dbraw/zinc/07/32/58/386073258.db2.gz LYRXHRPQCRIKCK-UHFFFAOYSA-N 0 0 243.640 3.834 10 0 BHAERN FCCc1coc2ccc(Br)cc12 ZINC000606304148 351561092 /nfs/dbraw/zinc/56/10/92/351561092.db2.gz QIBFMXIPLSGEOU-UHFFFAOYSA-N 0 0 243.075 3.707 10 0 BHAERN Cc1cc(F)c2nccc(C(F)F)c2c1 ZINC000606304165 351561415 /nfs/dbraw/zinc/56/14/15/351561415.db2.gz QTPRIRJSXKDNJD-UHFFFAOYSA-N 0 0 211.186 3.620 10 0 BHAERN Cc1cc(F)cc2ccc(C(F)F)nc12 ZINC000606304194 372093323 /nfs/dbraw/zinc/09/33/23/372093323.db2.gz RHXIMAVLCZLJIN-UHFFFAOYSA-N 0 0 211.186 3.620 10 0 BHAERN Cc1cc(F)c2nc(C(F)F)ccc2c1 ZINC000606304244 398003221 /nfs/dbraw/zinc/00/32/21/398003221.db2.gz SYKIFRJIQSQCOK-UHFFFAOYSA-N 0 0 211.186 3.620 10 0 BHAERN Cc1cc2nc(C(F)F)ccc2cc1F ZINC000606304275 398003563 /nfs/dbraw/zinc/00/35/63/398003563.db2.gz UQBXVCGGNBBSON-UHFFFAOYSA-N 0 0 211.186 3.620 10 0 BHAERN Cc1ccc2ccc(C(F)F)nc2c1F ZINC000606304298 351562024 /nfs/dbraw/zinc/56/20/24/351562024.db2.gz VKXWDAOAPJFHNH-UHFFFAOYSA-N 0 0 211.186 3.620 10 0 BHAERN Cc1c(F)ccc2nc(C(F)F)ccc12 ZINC000606304375 386078694 /nfs/dbraw/zinc/07/86/94/386078694.db2.gz XSFNYVBBJRZHFM-UHFFFAOYSA-N 0 0 211.186 3.620 10 0 BHAERN Cc1cc2nccc(C(F)F)c2cc1F ZINC000606304431 372095070 /nfs/dbraw/zinc/09/50/70/372095070.db2.gz ZANQVVGXFGGHDH-UHFFFAOYSA-N 0 0 211.186 3.620 10 0 BHAERN CCOC(=O)/C=C/C(=C/c1ccccc1)CC ZINC000606304495 398268784 /nfs/dbraw/zinc/26/87/84/398268784.db2.gz XBEZMXIGTPKMIB-AQASXUMVSA-N 0 0 230.307 3.599 10 0 BHAERN CC1CCC(=C(F)Br)CC1 ZINC000606518506 538929926 /nfs/dbraw/zinc/92/99/26/538929926.db2.gz AACWKPGAAQUYHJ-UHFFFAOYSA-N 0 0 207.086 3.773 10 0 BHAERN Cc1ccc(Oc2ccc(N)cc2Cl)c(C)n1 ZINC000616212975 369063130 /nfs/dbraw/zinc/06/31/30/369063130.db2.gz LTBNEBDYFFBPEY-UHFFFAOYSA-N 0 0 248.713 3.726 10 0 BHAERN CCOc1cc(-c2ccccc2)ccc1C=O ZINC000616213634 369063124 /nfs/dbraw/zinc/06/31/24/369063124.db2.gz XYXWOADCZLCPCB-UHFFFAOYSA-N 0 0 226.275 3.565 10 0 BHAERN Clc1ccc([C@@H]2CCC=N2)cc1Cl ZINC000616216442 369062755 /nfs/dbraw/zinc/06/27/55/369062755.db2.gz NZTCPZMEEGNVMJ-JTQLQIEISA-N 0 0 214.095 3.899 10 0 BHAERN Clc1ccc([C@H]2CCC=N2)cc1Cl ZINC000616216447 369062892 /nfs/dbraw/zinc/06/28/92/369062892.db2.gz NZTCPZMEEGNVMJ-SNVBAGLBSA-N 0 0 214.095 3.899 10 0 BHAERN COC1=NCCCC[C@H]1C1CCC(C)CC1 ZINC000616568423 347446097 /nfs/dbraw/zinc/44/60/97/347446097.db2.gz AEBYBEVHMDHPIU-BPCQOVAHSA-N 0 0 223.360 3.658 10 0 BHAERN COC1=NCCCC[C@@H]1C1CCC(C)CC1 ZINC000616568426 347446317 /nfs/dbraw/zinc/44/63/17/347446317.db2.gz AEBYBEVHMDHPIU-WXRRBKDZSA-N 0 0 223.360 3.658 10 0 BHAERN CC[S@](=N)(=O)C1CCC(C(C)(C)C)CC1 ZINC000616568774 411116069 /nfs/dbraw/zinc/11/60/69/411116069.db2.gz MNKZGJVOZWNROW-NWHVRFAMSA-N 0 0 231.405 3.658 10 0 BHAERN CC[S@@](=N)(=O)C1CCC(C(C)(C)C)CC1 ZINC000616568779 411116013 /nfs/dbraw/zinc/11/60/13/411116013.db2.gz MNKZGJVOZWNROW-QKFMDRJYSA-N 0 0 231.405 3.658 10 0 BHAERN CC(C)C1CCC([S@](=N)(=O)C(C)C)CC1 ZINC000616569903 347878451 /nfs/dbraw/zinc/87/84/51/347878451.db2.gz YSEAPHNJBBSPNP-KOHJWAIASA-N 0 0 231.405 3.656 10 0 BHAERN CC(C)C1CCC([S@@](=N)(=O)C(C)C)CC1 ZINC000616569930 344172158 /nfs/dbraw/zinc/17/21/58/344172158.db2.gz YSEAPHNJBBSPNP-QOZQQMKHSA-N 0 0 231.405 3.656 10 0 BHAERN CC(C)[S@](=N)(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000616569939 538938085 /nfs/dbraw/zinc/93/80/85/538938085.db2.gz YWDDVKSGCWTXQP-HFAKWTLXSA-N 0 0 231.405 3.656 10 0 BHAERN CC(C)[S@@](=N)(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000616569942 347880087 /nfs/dbraw/zinc/88/00/87/347880087.db2.gz YWDDVKSGCWTXQP-JRPNMDOOSA-N 0 0 231.405 3.656 10 0 BHAERN CC(C)[S@@](=N)(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000616569943 344172085 /nfs/dbraw/zinc/17/20/85/344172085.db2.gz YWDDVKSGCWTXQP-UEKVPHQBSA-N 0 0 231.405 3.656 10 0 BHAERN CC(C)[S@](=N)(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000616569945 347880841 /nfs/dbraw/zinc/88/08/41/347880841.db2.gz YWDDVKSGCWTXQP-ZETOZRRWSA-N 0 0 231.405 3.656 10 0 BHAERN CC(C)[C@@H]1CCC[C@@H]([S@@](=N)(=O)C(C)C)C1 ZINC000616570014 344172069 /nfs/dbraw/zinc/17/20/69/344172069.db2.gz ZIRDHMXVFOTQGF-JMSVASOKSA-N 0 0 231.405 3.656 10 0 BHAERN CC(C)[C@@H]1CCC[C@@H]([S@](=N)(=O)C(C)C)C1 ZINC000616570016 347883677 /nfs/dbraw/zinc/88/36/77/347883677.db2.gz ZIRDHMXVFOTQGF-LALPHHSUSA-N 0 0 231.405 3.656 10 0 BHAERN CC(C)[C@@H]1CCC[C@H]([S@](=N)(=O)C(C)C)C1 ZINC000616570019 347883683 /nfs/dbraw/zinc/88/36/83/347883683.db2.gz ZIRDHMXVFOTQGF-TYNCELHUSA-N 0 0 231.405 3.656 10 0 BHAERN CC(C)[C@@H]1CCC[C@H]([S@@](=N)(=O)C(C)C)C1 ZINC000616570022 347883718 /nfs/dbraw/zinc/88/37/18/347883718.db2.gz ZIRDHMXVFOTQGF-XUJVJEKNSA-N 0 0 231.405 3.656 10 0 BHAERN COC1=NCCCC[C@H]1[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000616570084 344172718 /nfs/dbraw/zinc/17/27/18/344172718.db2.gz PWLOPDGSZUWVDL-DGAVXFQQSA-N 0 0 237.387 3.904 10 0 BHAERN COC1=NCCCC[C@@H]1C1C[C@@H](C)C[C@H](C)C1 ZINC000616570092 347904730 /nfs/dbraw/zinc/90/47/30/347904730.db2.gz PWLOPDGSZUWVDL-SGMGOOAPSA-N 0 0 237.387 3.904 10 0 BHAERN COC1=NCCCC[C@@H]1C1C[C@H](C)C[C@@H](C)C1 ZINC000616570094 347904666 /nfs/dbraw/zinc/90/46/66/347904666.db2.gz PWLOPDGSZUWVDL-YRGRVCCFSA-N 0 0 237.387 3.904 10 0 BHAERN COC1=NCCCC[C@@H]1[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000616570095 347904883 /nfs/dbraw/zinc/90/48/83/347904883.db2.gz PWLOPDGSZUWVDL-ZOBORPQBSA-N 0 0 237.387 3.904 10 0 BHAERN CC[C@@H](Sc1cc(C)ccc1C)C(C)=O ZINC000616570333 348033087 /nfs/dbraw/zinc/03/30/87/348033087.db2.gz BHCAABOOKCAZEF-GFCCVEGCSA-N 0 0 222.353 3.763 10 0 BHAERN CC[C@H](Sc1cc(C)ccc1C)C(C)=O ZINC000616570348 348035320 /nfs/dbraw/zinc/03/53/20/348035320.db2.gz BHCAABOOKCAZEF-LBPRGKRZSA-N 0 0 222.353 3.763 10 0 BHAERN CC[C@@H](Sc1ccc(C)cc1C)C(C)=O ZINC000616570356 348069677 /nfs/dbraw/zinc/06/96/77/348069677.db2.gz BNUPIAUAVAGNMO-GFCCVEGCSA-N 0 0 222.353 3.763 10 0 BHAERN CC[C@H](Sc1ccc(C)cc1C)C(C)=O ZINC000616570358 348069750 /nfs/dbraw/zinc/06/97/50/348069750.db2.gz BNUPIAUAVAGNMO-LBPRGKRZSA-N 0 0 222.353 3.763 10 0 BHAERN COC1=NCCCC[C@@H]1C1CCC(F)(F)CC1 ZINC000616570838 348074284 /nfs/dbraw/zinc/07/42/84/348074284.db2.gz VEXSTEOCWMMISL-LLVKDONJSA-N 0 0 245.313 3.657 10 0 BHAERN COC1=NCCCC[C@H]1C1CCC(F)(F)CC1 ZINC000616570851 348075681 /nfs/dbraw/zinc/07/56/81/348075681.db2.gz VEXSTEOCWMMISL-NSHDSACASA-N 0 0 245.313 3.657 10 0 BHAERN CC[C@@H](SCc1ccccc1C)C(C)=O ZINC000616571083 348093404 /nfs/dbraw/zinc/09/34/04/348093404.db2.gz FONQYYRKQWOYLX-CYBMUJFWSA-N 0 0 222.353 3.596 10 0 BHAERN CC[C@H](SCc1ccccc1C)C(C)=O ZINC000616571091 348096370 /nfs/dbraw/zinc/09/63/70/348096370.db2.gz FONQYYRKQWOYLX-ZDUSSCGKSA-N 0 0 222.353 3.596 10 0 BHAERN CC[C@@H](SCc1ccc(Cl)cc1)C(C)=O ZINC000616572146 349065342 /nfs/dbraw/zinc/06/53/42/349065342.db2.gz JUFUCRLLUZPNTF-GFCCVEGCSA-N 0 0 242.771 3.941 10 0 BHAERN CC[C@H](SCc1ccc(Cl)cc1)C(C)=O ZINC000616572153 349064927 /nfs/dbraw/zinc/06/49/27/349064927.db2.gz JUFUCRLLUZPNTF-LBPRGKRZSA-N 0 0 242.771 3.941 10 0 BHAERN CC[C@@H](Sc1ccc(C)c(C)c1)C(C)=O ZINC000616572250 384800150 /nfs/dbraw/zinc/80/01/50/384800150.db2.gz LILZIJGVELIQFB-CYBMUJFWSA-N 0 0 222.353 3.763 10 0 BHAERN CC[C@H](Sc1ccc(C)c(C)c1)C(C)=O ZINC000616572252 384801114 /nfs/dbraw/zinc/80/11/14/384801114.db2.gz LILZIJGVELIQFB-ZDUSSCGKSA-N 0 0 222.353 3.763 10 0 BHAERN CC[C@H](Sc1ccccc1Cl)C(C)=O ZINC000616572266 384801354 /nfs/dbraw/zinc/80/13/54/384801354.db2.gz LRFKNDJPRWCJMS-JTQLQIEISA-N 0 0 228.744 3.800 10 0 BHAERN CC[C@@H](Sc1ccccc1Cl)C(C)=O ZINC000616572267 384801108 /nfs/dbraw/zinc/80/11/08/384801108.db2.gz LRFKNDJPRWCJMS-SNVBAGLBSA-N 0 0 228.744 3.800 10 0 BHAERN CC[C@@H](Sc1ccc(Cl)cc1)C(C)=O ZINC000616572811 349063656 /nfs/dbraw/zinc/06/36/56/349063656.db2.gz OVZDSFFLLLBZOD-LLVKDONJSA-N 0 0 228.744 3.800 10 0 BHAERN CC[C@H](Sc1ccc(Cl)cc1)C(C)=O ZINC000616572813 349063843 /nfs/dbraw/zinc/06/38/43/349063843.db2.gz OVZDSFFLLLBZOD-NSHDSACASA-N 0 0 228.744 3.800 10 0 BHAERN FC(F)(F)C[C@@H]1CNc2ccccc2S1 ZINC000616573164 349067333 /nfs/dbraw/zinc/06/73/33/349067333.db2.gz QNXHSDXOAFLVGN-SSDOTTSWSA-N 0 0 233.258 3.525 10 0 BHAERN FC(F)(F)C[C@H]1CNc2ccccc2S1 ZINC000616573170 349067381 /nfs/dbraw/zinc/06/73/81/349067381.db2.gz QNXHSDXOAFLVGN-ZETCQYMHSA-N 0 0 233.258 3.525 10 0 BHAERN CC[C@@H](SCc1cccc(C)c1)C(C)=O ZINC000616573209 344184734 /nfs/dbraw/zinc/18/47/34/344184734.db2.gz QRHHVEYHNLNRGB-CYBMUJFWSA-N 0 0 222.353 3.596 10 0 BHAERN CC[C@H](SCc1cccc(C)c1)C(C)=O ZINC000616573211 349067907 /nfs/dbraw/zinc/06/79/07/349067907.db2.gz QRHHVEYHNLNRGB-ZDUSSCGKSA-N 0 0 222.353 3.596 10 0 BHAERN CC[C@@H](SCc1ccccc1Cl)C(C)=O ZINC000616574008 349075037 /nfs/dbraw/zinc/07/50/37/349075037.db2.gz WSOOTROJDIJDRB-GFCCVEGCSA-N 0 0 242.771 3.941 10 0 BHAERN CC[C@H](SCc1ccccc1Cl)C(C)=O ZINC000616574009 349075355 /nfs/dbraw/zinc/07/53/55/349075355.db2.gz WSOOTROJDIJDRB-LBPRGKRZSA-N 0 0 242.771 3.941 10 0 BHAERN O=Cc1cc(CSc2ccccc2)cs1 ZINC000616574391 344186902 /nfs/dbraw/zinc/18/69/02/344186902.db2.gz ZVZNXKGIJODKKT-UHFFFAOYSA-N 0 0 234.345 3.853 10 0 BHAERN Cc1ccc(N)c(C)c1CNc1ccsc1 ZINC000616574579 349079924 /nfs/dbraw/zinc/07/99/24/349079924.db2.gz SYWOIMOGEZSMDJ-UHFFFAOYSA-N 0 0 232.352 3.559 10 0 BHAERN Oc1cccc(F)c1Oc1ccc(Cl)cc1 ZINC000616576493 349101525 /nfs/dbraw/zinc/10/15/25/349101525.db2.gz ABKHUDYELBYEHR-UHFFFAOYSA-N 0 0 238.645 3.977 10 0 BHAERN O=c1ccc2c(C(F)(F)F)ccc(Cl)c2[nH]1 ZINC000616577353 349113263 /nfs/dbraw/zinc/11/32/63/349113263.db2.gz UKLWNGUBGFXWDF-UHFFFAOYSA-N 0 0 247.603 3.613 10 0 BHAERN O=c1[nH]cc(-c2ccsc2)cc1C(F)(F)F ZINC000616577636 349116649 /nfs/dbraw/zinc/11/66/49/349116649.db2.gz JXARZJMANAGHMP-UHFFFAOYSA-N 0 0 245.225 3.535 10 0 BHAERN CCC(C)(C)C1CCC([S@@](C)(=N)=O)CC1 ZINC000616577705 349118643 /nfs/dbraw/zinc/11/86/43/349118643.db2.gz LGEDFNWGJQPHAL-NWHVRFAMSA-N 0 0 231.405 3.658 10 0 BHAERN CCC(C)(C)C1CCC([S@](C)(=N)=O)CC1 ZINC000616577706 349118667 /nfs/dbraw/zinc/11/86/67/349118667.db2.gz LGEDFNWGJQPHAL-QKFMDRJYSA-N 0 0 231.405 3.658 10 0 BHAERN Cc1cccc(OC(F)(F)F)c1Cl ZINC000616578550 349125039 /nfs/dbraw/zinc/12/50/39/349125039.db2.gz WOWDRSJKAFESMT-UHFFFAOYSA-N 0 0 210.582 3.547 10 0 BHAERN CCc1ccc(SC)c(OC(F)(F)F)c1 ZINC000616578818 349127221 /nfs/dbraw/zinc/12/72/21/349127221.db2.gz BVWWEBDXNFPSGJ-UHFFFAOYSA-N 0 0 236.258 3.870 10 0 BHAERN CCc1cccc(OC(F)(F)F)c1SC ZINC000616578887 349127494 /nfs/dbraw/zinc/12/74/94/349127494.db2.gz DTVRXRVXUNZXGF-UHFFFAOYSA-N 0 0 236.258 3.870 10 0 BHAERN Oc1cccc(F)c1Oc1cccc(Cl)c1 ZINC000616579009 349127892 /nfs/dbraw/zinc/12/78/92/349127892.db2.gz OCTNXTJXNWPEKE-UHFFFAOYSA-N 0 0 238.645 3.977 10 0 BHAERN Oc1ccc(F)cc1Oc1cccc(Cl)c1 ZINC000616579032 349127767 /nfs/dbraw/zinc/12/77/67/349127767.db2.gz OKKVIUCHJCDCKL-UHFFFAOYSA-N 0 0 238.645 3.977 10 0 BHAERN Cn1ncc(-c2ccc(Cl)cc2)c1C(F)F ZINC000616579467 349163473 /nfs/dbraw/zinc/16/34/73/349163473.db2.gz UETJHKGTPHVIJN-UHFFFAOYSA-N 0 0 242.656 3.678 10 0 BHAERN Cn1ncc(-c2cccc(Cl)c2)c1C(F)F ZINC000616579530 349159850 /nfs/dbraw/zinc/15/98/50/349159850.db2.gz UPULMIBVCQBJOP-UHFFFAOYSA-N 0 0 242.656 3.678 10 0 BHAERN CSc1ccc(OC(F)(F)F)cc1Cl ZINC000616579611 349166214 /nfs/dbraw/zinc/16/62/14/349166214.db2.gz FWTFOBCYQZPSAW-UHFFFAOYSA-N 0 0 242.649 3.961 10 0 BHAERN CCc1cc(OC(F)(F)F)cc(SC)c1 ZINC000616579659 349170443 /nfs/dbraw/zinc/17/04/43/349170443.db2.gz KWMSXPJDPUUAER-UHFFFAOYSA-N 0 0 236.258 3.870 10 0 BHAERN CCc1cccc(SC)c1OC(F)(F)F ZINC000616579664 349171090 /nfs/dbraw/zinc/17/10/90/349171090.db2.gz LDBLIOHLKSRCGL-UHFFFAOYSA-N 0 0 236.258 3.870 10 0 BHAERN CSc1cc(OC(F)(F)F)ccc1Cl ZINC000616579877 349206858 /nfs/dbraw/zinc/20/68/58/349206858.db2.gz JFMRHGJDLGOUOQ-UHFFFAOYSA-N 0 0 242.649 3.961 10 0 BHAERN CCc1cc(SC)ccc1OC(F)(F)F ZINC000616579904 349211119 /nfs/dbraw/zinc/21/11/19/349211119.db2.gz QIDVCVDCQMUYDR-UHFFFAOYSA-N 0 0 236.258 3.870 10 0 BHAERN CSc1c(Cl)cccc1OC(F)(F)F ZINC000616579973 349208657 /nfs/dbraw/zinc/20/86/57/349208657.db2.gz MHCJWRXBXUEMMA-UHFFFAOYSA-N 0 0 242.649 3.961 10 0 BHAERN CCc1ccc(SC)cc1OC(F)(F)F ZINC000616580047 349234140 /nfs/dbraw/zinc/23/41/40/349234140.db2.gz VIIAZJJBVVIVMW-UHFFFAOYSA-N 0 0 236.258 3.870 10 0 BHAERN Cc1ccc(Oc2c(O)cccc2F)cc1 ZINC000616580052 349234724 /nfs/dbraw/zinc/23/47/24/349234724.db2.gz SXQZRCLMKAQCAY-UHFFFAOYSA-N 0 0 218.227 3.632 10 0 BHAERN CSc1cccc(OC(F)(F)F)c1Cl ZINC000616580124 349246329 /nfs/dbraw/zinc/24/63/29/349246329.db2.gz MQBPXWCLDVJRJD-UHFFFAOYSA-N 0 0 242.649 3.961 10 0 BHAERN CSc1ccc(Cl)c(OC(F)(F)F)c1 ZINC000616580153 349251018 /nfs/dbraw/zinc/25/10/18/349251018.db2.gz OGVPPNXBSBFECH-UHFFFAOYSA-N 0 0 242.649 3.961 10 0 BHAERN CSc1ccc(Cl)cc1OC(F)(F)F ZINC000616580216 349248487 /nfs/dbraw/zinc/24/84/87/349248487.db2.gz RGFVSURQXBFVBF-UHFFFAOYSA-N 0 0 242.649 3.961 10 0 BHAERN CCc1ccc(OC(F)(F)F)cc1SC ZINC000616580218 349251916 /nfs/dbraw/zinc/25/19/16/349251916.db2.gz VQXLTWXNFAMLHR-UHFFFAOYSA-N 0 0 236.258 3.870 10 0 BHAERN CSc1cc(Cl)cc(OC(F)(F)F)c1 ZINC000616580226 369095486 /nfs/dbraw/zinc/09/54/86/369095486.db2.gz RQTFIUILRULPQO-UHFFFAOYSA-N 0 0 242.649 3.961 10 0 BHAERN CCc1c(OC(F)(F)F)cccc1SC ZINC000616580286 349256908 /nfs/dbraw/zinc/25/69/08/349256908.db2.gz XEJWZDRGFFBKIP-UHFFFAOYSA-N 0 0 236.258 3.870 10 0 BHAERN CCc1ccc(OC(F)(F)F)c(SC)c1 ZINC000616580332 349256617 /nfs/dbraw/zinc/25/66/17/349256617.db2.gz YOGQWKMRAYZLGZ-UHFFFAOYSA-N 0 0 236.258 3.870 10 0 BHAERN CCc1cc(OC(F)(F)F)ccc1SC ZINC000616580335 349256683 /nfs/dbraw/zinc/25/66/83/349256683.db2.gz YQCUBXSZBFQNCB-UHFFFAOYSA-N 0 0 236.258 3.870 10 0 BHAERN CSc1cccc(Cl)c1OC(F)(F)F ZINC000616580448 349257582 /nfs/dbraw/zinc/25/75/82/349257582.db2.gz UCUXCJJGISFEPO-UHFFFAOYSA-N 0 0 242.649 3.961 10 0 BHAERN CSc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000616580603 349257986 /nfs/dbraw/zinc/25/79/86/349257986.db2.gz ZYDYOLAHVSEPLQ-UHFFFAOYSA-N 0 0 242.649 3.961 10 0 BHAERN CCOc1cccc(OC(F)(F)F)c1Cl ZINC000616580705 349259038 /nfs/dbraw/zinc/25/90/38/349259038.db2.gz BNKOJJBIHAWZEN-UHFFFAOYSA-N 0 0 240.608 3.637 10 0 BHAERN Cc1c(OC(F)(F)F)cccc1C(F)(F)F ZINC000616580734 349259655 /nfs/dbraw/zinc/25/96/55/349259655.db2.gz COFZTQDTRCXXTP-UHFFFAOYSA-N 0 0 244.134 3.912 10 0 BHAERN CCOc1cc(Cl)ccc1OC(F)(F)F ZINC000616580737 349259813 /nfs/dbraw/zinc/25/98/13/349259813.db2.gz CTYWSKFFOYMUOS-UHFFFAOYSA-N 0 0 240.608 3.637 10 0 BHAERN Cc1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC000616580744 349259752 /nfs/dbraw/zinc/25/97/52/349259752.db2.gz DKWMOWXTVRHMIO-UHFFFAOYSA-N 0 0 244.134 3.912 10 0 BHAERN CCOc1cc(OC(F)(F)F)ccc1Cl ZINC000616580749 349259614 /nfs/dbraw/zinc/25/96/14/349259614.db2.gz DREODEZDVJROHA-UHFFFAOYSA-N 0 0 240.608 3.637 10 0 BHAERN CCOc1cccc(Cl)c1OC(F)(F)F ZINC000616580776 349259764 /nfs/dbraw/zinc/25/97/64/349259764.db2.gz FQGAMRASZYYJMS-UHFFFAOYSA-N 0 0 240.608 3.637 10 0 BHAERN Cc1cc(C(F)(F)F)ccc1OC(F)(F)F ZINC000616580803 349260510 /nfs/dbraw/zinc/26/05/10/349260510.db2.gz GKVXNZDDINEIRB-UHFFFAOYSA-N 0 0 244.134 3.912 10 0 BHAERN CSc1cc(C)cc(OC(F)(F)F)c1 ZINC000616580807 349260452 /nfs/dbraw/zinc/26/04/52/349260452.db2.gz GREJINDCXDYXPD-UHFFFAOYSA-N 0 0 222.231 3.616 10 0 BHAERN CSc1ccc(OC(F)(F)F)cc1C ZINC000616580825 349260504 /nfs/dbraw/zinc/26/05/04/349260504.db2.gz HOMIDJRINKCGHQ-UHFFFAOYSA-N 0 0 222.231 3.616 10 0 BHAERN CSc1ccc(C)cc1OC(F)(F)F ZINC000616580861 349259637 /nfs/dbraw/zinc/25/96/37/349259637.db2.gz JCTZHFMFQPLVNE-UHFFFAOYSA-N 0 0 222.231 3.616 10 0 BHAERN CSc1c(C)cccc1OC(F)(F)F ZINC000616580884 349262532 /nfs/dbraw/zinc/26/25/32/349262532.db2.gz KALHSJPGXRBVTP-UHFFFAOYSA-N 0 0 222.231 3.616 10 0 BHAERN Cc1ccc(C(F)(F)F)cc1OC(F)(F)F ZINC000616580918 349262613 /nfs/dbraw/zinc/26/26/13/349262613.db2.gz LKXQSPHNJCKURP-UHFFFAOYSA-N 0 0 244.134 3.912 10 0 BHAERN CSc1cc(C)ccc1OC(F)(F)F ZINC000616580930 349262502 /nfs/dbraw/zinc/26/25/02/349262502.db2.gz LYRYYZRQBBUHHP-UHFFFAOYSA-N 0 0 222.231 3.616 10 0 BHAERN Cc1ccc(N[C@@H]2CCC[C@H]2F)cc1C ZINC000616580942 349262596 /nfs/dbraw/zinc/26/25/96/349262596.db2.gz ANAYDUVIWICXEK-CHWSQXEVSA-N 0 0 207.292 3.606 10 0 BHAERN CCOc1ccc(Cl)c(OC(F)(F)F)c1 ZINC000616580985 349263118 /nfs/dbraw/zinc/26/31/18/349263118.db2.gz NVBQLAKBXPLPER-UHFFFAOYSA-N 0 0 240.608 3.637 10 0 BHAERN CCOc1ccc(Cl)cc1OC(F)(F)F ZINC000616581034 349260385 /nfs/dbraw/zinc/26/03/85/349260385.db2.gz PDIUGOPDQOUHAU-UHFFFAOYSA-N 0 0 240.608 3.637 10 0 BHAERN Cc1cc(C)cc(NCC2(F)CCCC2)c1 ZINC000616581093 349261770 /nfs/dbraw/zinc/26/17/70/349261770.db2.gz DPZKCOACQSSEIP-UHFFFAOYSA-N 0 0 221.319 3.998 10 0 BHAERN Cc1cccc(NCC2(F)CCCC2)c1 ZINC000616581116 369096944 /nfs/dbraw/zinc/09/69/44/369096944.db2.gz FUVFNZGFOFXJOF-UHFFFAOYSA-N 0 0 207.292 3.689 10 0 BHAERN Cc1nc2ccccc2n1[C@@H]1CCCC[C@H]1F ZINC000616581143 349262666 /nfs/dbraw/zinc/26/26/66/349262666.db2.gz HMMALONEBCAIOU-DGCLKSJQSA-N 0 0 232.302 3.798 10 0 BHAERN Cc1ccc(N[C@@H]2CCCC[C@H]2F)cc1 ZINC000616581144 349262520 /nfs/dbraw/zinc/26/25/20/349262520.db2.gz HTWDFKZGKHLEDM-CHWSQXEVSA-N 0 0 207.292 3.688 10 0 BHAERN CCc1ccccc1NCC1(F)CCCC1 ZINC000616581172 349262514 /nfs/dbraw/zinc/26/25/14/349262514.db2.gz JCQSREQXLDNNQN-UHFFFAOYSA-N 0 0 221.319 3.943 10 0 BHAERN Cc1cccc(C(F)(F)F)c1OC(F)(F)F ZINC000616581209 349262586 /nfs/dbraw/zinc/26/25/86/349262586.db2.gz SJSTXJPAWDYWNG-UHFFFAOYSA-N 0 0 244.134 3.912 10 0 BHAERN Cc1ccc(NCC2(F)CCCC2)cc1C ZINC000616581219 349261107 /nfs/dbraw/zinc/26/11/07/349261107.db2.gz JTLOAPTXGBGKQN-UHFFFAOYSA-N 0 0 221.319 3.998 10 0 BHAERN CCOc1c(Cl)cccc1OC(F)(F)F ZINC000616581226 349261048 /nfs/dbraw/zinc/26/10/48/349261048.db2.gz SZRQPBXJGAQSGY-UHFFFAOYSA-N 0 0 240.608 3.637 10 0 BHAERN Cc1cc(C)cc(N[C@@H]2CCCC[C@H]2F)c1 ZINC000616581238 349261289 /nfs/dbraw/zinc/26/12/89/349261289.db2.gz KMQLWSRLJYJNIN-ZIAGYGMSSA-N 0 0 221.319 3.996 10 0 BHAERN CSc1cccc(C)c1OC(F)(F)F ZINC000616581241 369096462 /nfs/dbraw/zinc/09/64/62/369096462.db2.gz UDNBCKHIUVMWDD-UHFFFAOYSA-N 0 0 222.231 3.616 10 0 BHAERN CSc1ccc(C)c(OC(F)(F)F)c1 ZINC000616581332 349263423 /nfs/dbraw/zinc/26/34/23/349263423.db2.gz WPBGSBLYOOVRCB-UHFFFAOYSA-N 0 0 222.231 3.616 10 0 BHAERN CCOc1ccc(OC(F)(F)F)cc1Cl ZINC000616581348 349263751 /nfs/dbraw/zinc/26/37/51/349263751.db2.gz XHBJHUXFQKFQEX-UHFFFAOYSA-N 0 0 240.608 3.637 10 0 BHAERN CSc1ccc(OC(F)(F)F)c(C)c1 ZINC000616581350 349263779 /nfs/dbraw/zinc/26/37/79/349263779.db2.gz XKITZXYRZMBKRT-UHFFFAOYSA-N 0 0 222.231 3.616 10 0 BHAERN CSc1cccc(OC(F)(F)F)c1C ZINC000616581359 349263605 /nfs/dbraw/zinc/26/36/05/349263605.db2.gz XTFCUMHBQYSPFT-UHFFFAOYSA-N 0 0 222.231 3.616 10 0 BHAERN CSc1cc(OC(F)(F)F)ccc1C ZINC000616581381 349263388 /nfs/dbraw/zinc/26/33/88/349263388.db2.gz YHFCRZHHIRCLJY-UHFFFAOYSA-N 0 0 222.231 3.616 10 0 BHAERN CCc1ccc(N[C@@H]2CCC[C@H]2F)cc1 ZINC000616581445 349263532 /nfs/dbraw/zinc/26/35/32/349263532.db2.gz RHAFSYANWNKXSE-CHWSQXEVSA-N 0 0 207.292 3.552 10 0 BHAERN CCc1ccccc1N[C@@H]1CCCC[C@H]1F ZINC000616581453 344254332 /nfs/dbraw/zinc/25/43/32/344254332.db2.gz RVRDVZVJGSSZMM-TZMCWYRMSA-N 0 0 221.319 3.942 10 0 BHAERN Cc1cc(C)cc(N[C@@H]2CCC[C@H]2F)c1 ZINC000616581455 349264097 /nfs/dbraw/zinc/26/40/97/349264097.db2.gz RWTPIZQYIUJPBI-CHWSQXEVSA-N 0 0 207.292 3.606 10 0 BHAERN Cc1ccc(N[C@@H]2CCCC[C@H]2F)cc1C ZINC000616581458 349264163 /nfs/dbraw/zinc/26/41/63/349264163.db2.gz SEQVBFXDUNEVIK-ZIAGYGMSSA-N 0 0 221.319 3.996 10 0 BHAERN CCc1ccc(N[C@@H]2CCCC[C@H]2F)cc1 ZINC000616581496 349264433 /nfs/dbraw/zinc/26/44/33/349264433.db2.gz VVTFYVHAWJJQND-ZIAGYGMSSA-N 0 0 221.319 3.942 10 0 BHAERN F[C@@H]1CCCC[C@H]1n1cnc(Cl)c1Cl ZINC000616581512 349264424 /nfs/dbraw/zinc/26/44/24/349264424.db2.gz WSRBLAZWQWCPLL-RNFRBKRXSA-N 0 0 237.105 3.643 10 0 BHAERN CCc1ccccc1N[C@@H]1CCC[C@H]1F ZINC000616581526 349264611 /nfs/dbraw/zinc/26/46/11/349264611.db2.gz XUCOIUUKPKBGMZ-DGCLKSJQSA-N 0 0 207.292 3.552 10 0 BHAERN Cc1cc2nc(-c3ccccc3)nc(Cl)c2[nH]1 ZINC000616581773 349284954 /nfs/dbraw/zinc/28/49/54/349284954.db2.gz DAWKBVVCFLJWKA-UHFFFAOYSA-N 0 0 243.697 3.587 10 0 BHAERN Fc1cc2cc(Cl)nc(Cl)c2cc1F ZINC000616582241 349293158 /nfs/dbraw/zinc/29/31/58/349293158.db2.gz JRSKRLWSJBZGFW-UHFFFAOYSA-N 0 0 234.032 3.820 10 0 BHAERN CC1(C)[C@@H]2C(=O)CCC[C@]23CC[C@@]1(C)C3 ZINC000616583613 349317416 /nfs/dbraw/zinc/31/74/16/349317416.db2.gz SIFRFVIMWXVDNV-FPMFFAJLSA-N 0 0 206.329 3.572 10 0 BHAERN CC1(C)[C@H]2C(=O)CCC[C@]23CC[C@@]1(C)C3 ZINC000616583623 349317964 /nfs/dbraw/zinc/31/79/64/349317964.db2.gz SIFRFVIMWXVDNV-KWCYVHTRSA-N 0 0 206.329 3.572 10 0 BHAERN CC(C)[C@H]1CNc2ccccc2N1C(C)(C)C ZINC000616584647 369096216 /nfs/dbraw/zinc/09/62/16/369096216.db2.gz LCKHZUOHPJMONL-CQSZACIVSA-N 0 0 232.371 3.742 10 0 BHAERN CC(C)[C@@H]1CNc2ccccc2N1C(C)(C)C ZINC000616584718 349350349 /nfs/dbraw/zinc/35/03/49/349350349.db2.gz LCKHZUOHPJMONL-AWEZNQCLSA-N 0 0 232.371 3.742 10 0 BHAERN CCN1CC[C@@H](C(C)C)c2ccccc21 ZINC000616584778 349356032 /nfs/dbraw/zinc/35/60/32/349356032.db2.gz CHRJSZXZDSGXHB-LBPRGKRZSA-N 0 0 203.329 3.656 10 0 BHAERN CC[C@@H]1CCN(C(C)C)c2ccccc21 ZINC000616585520 369096181 /nfs/dbraw/zinc/09/61/81/369096181.db2.gz GGJWVOLMRJNOCE-GFCCVEGCSA-N 0 0 203.329 3.799 10 0 BHAERN CC(C)N1CC[C@@H](C(F)F)c2ccccc21 ZINC000616585601 349371695 /nfs/dbraw/zinc/37/16/95/349371695.db2.gz GXDMKZFPLGGYIB-LLVKDONJSA-N 0 0 225.282 3.654 10 0 BHAERN CC(C)N1c2ccccc2NC[C@@H]1C(C)(C)C ZINC000616586755 349405978 /nfs/dbraw/zinc/40/59/78/349405978.db2.gz ZKTMQJQBHMPVMV-CQSZACIVSA-N 0 0 232.371 3.742 10 0 BHAERN CC(C)N1c2ccccc2NC[C@H]1C(C)(C)C ZINC000616587031 369096022 /nfs/dbraw/zinc/09/60/22/369096022.db2.gz ZKTMQJQBHMPVMV-AWEZNQCLSA-N 0 0 232.371 3.742 10 0 BHAERN CC(=O)N1CC[C@@H](C(C)(C)C)c2ccccc21 ZINC000616587306 349420895 /nfs/dbraw/zinc/42/08/95/349420895.db2.gz PRENWIAIVTVZQK-CYBMUJFWSA-N 0 0 231.339 3.573 10 0 BHAERN O=c1cc(Cl)c2ccc(Cl)c(Cl)c2[nH]1 ZINC000616588340 349490544 /nfs/dbraw/zinc/49/05/44/349490544.db2.gz DDDYVFDNGGHNQN-UHFFFAOYSA-N 0 0 248.496 3.901 10 0 BHAERN CNc1cccc([C@H]2CCNc3ccccc32)c1 ZINC000616588360 349491238 /nfs/dbraw/zinc/49/12/38/349491238.db2.gz JKLCHVVPTSEFLS-CQSZACIVSA-N 0 0 238.334 3.676 10 0 BHAERN CC(C)(C)N1CC[C@H](F)c2ccccc21 ZINC000616588456 349493298 /nfs/dbraw/zinc/49/32/98/349493298.db2.gz AVZWKYMAYWKSOE-NSHDSACASA-N 0 0 207.292 3.706 10 0 BHAERN CCN1CC[C@H](C(C)C)c2ccccc21 ZINC000616588766 343518066 /nfs/dbraw/zinc/51/80/66/343518066.db2.gz CHRJSZXZDSGXHB-GFCCVEGCSA-N 0 0 203.329 3.656 10 0 BHAERN CCOC(=O)N1CC[C@@H](C(C)C)c2ccccc21 ZINC000616588776 398071423 /nfs/dbraw/zinc/07/14/23/398071423.db2.gz YLKNMNCELLDHIR-LBPRGKRZSA-N 0 0 247.338 3.793 10 0 BHAERN COC(=O)N1CC[C@@H](C(C)(C)C)c2ccccc21 ZINC000616588966 349514493 /nfs/dbraw/zinc/51/44/93/349514493.db2.gz ZSRWDUBAMQNHQS-GFCCVEGCSA-N 0 0 247.338 3.793 10 0 BHAERN CC(=O)N1CC[C@H](C(C)(C)C)c2ccccc21 ZINC000616589098 349522124 /nfs/dbraw/zinc/52/21/24/349522124.db2.gz PRENWIAIVTVZQK-ZDUSSCGKSA-N 0 0 231.339 3.573 10 0 BHAERN CC[C@H]1CCN(C(C)C)c2ccccc21 ZINC000616589445 349567456 /nfs/dbraw/zinc/56/74/56/349567456.db2.gz GGJWVOLMRJNOCE-LBPRGKRZSA-N 0 0 203.329 3.799 10 0 BHAERN CCOC(=O)N1CC[C@H](CC)c2ccccc21 ZINC000616590117 349879158 /nfs/dbraw/zinc/87/91/58/349879158.db2.gz UYDMHNNBCNBYMP-NSHDSACASA-N 0 0 233.311 3.547 10 0 BHAERN CN1CC[C@H](c2cccc(F)c2)c2ccccc21 ZINC000616590284 349931088 /nfs/dbraw/zinc/93/10/88/349931088.db2.gz MFJARZQLEWGKFC-CQSZACIVSA-N 0 0 241.309 3.798 10 0 BHAERN CCOC(=O)N1CC[C@H](C(C)C)c2ccccc21 ZINC000616590577 350016272 /nfs/dbraw/zinc/01/62/72/350016272.db2.gz YLKNMNCELLDHIR-GFCCVEGCSA-N 0 0 247.338 3.793 10 0 BHAERN COC(=O)N1CC[C@H](C(C)(C)C)c2ccccc21 ZINC000616590620 350014409 /nfs/dbraw/zinc/01/44/09/350014409.db2.gz ZSRWDUBAMQNHQS-LBPRGKRZSA-N 0 0 247.338 3.793 10 0 BHAERN Fc1ncc(Cc2cccc(Cl)c2)s1 ZINC000616591811 350412402 /nfs/dbraw/zinc/41/24/02/350412402.db2.gz TZZGIMQOMVYQGC-UHFFFAOYSA-N 0 0 227.691 3.526 10 0 BHAERN CC(C)N1c2ccccc2CC[C@H]1c1cnoc1 ZINC000616591846 350412558 /nfs/dbraw/zinc/41/25/58/350412558.db2.gz ALRYQWDSIIQWJH-HNNXBMFYSA-N 0 0 242.322 3.577 10 0 BHAERN CCN1c2ccccc2CC[C@H]1c1ccncc1 ZINC000616592075 350438497 /nfs/dbraw/zinc/43/84/97/350438497.db2.gz CYQZQWGINRUAGJ-INIZCTEOSA-N 0 0 238.334 3.595 10 0 BHAERN CC(C)N1C[C@H](C(F)(F)F)Cc2ccccc21 ZINC000616592352 350452016 /nfs/dbraw/zinc/45/20/16/350452016.db2.gz KHDDJMQIKCHSKV-LLVKDONJSA-N 0 0 243.272 3.636 10 0 BHAERN CC(C)N1c2ccccc2CC[C@@H]1c1cnoc1 ZINC000616592353 350451820 /nfs/dbraw/zinc/45/18/20/350451820.db2.gz ALRYQWDSIIQWJH-OAHLLOKOSA-N 0 0 242.322 3.577 10 0 BHAERN CC(C)N1c2ccccc2CC[C@@H]1c1ncco1 ZINC000616592366 350453605 /nfs/dbraw/zinc/45/36/05/350453605.db2.gz ANDQZKPVDURDSV-CQSZACIVSA-N 0 0 242.322 3.577 10 0 BHAERN CC(C)N1c2ccccc2CC[C@@H]1c1cnco1 ZINC000616592368 350454105 /nfs/dbraw/zinc/45/41/05/350454105.db2.gz APBPWKIKRMVHQA-CQSZACIVSA-N 0 0 242.322 3.577 10 0 BHAERN CCN1c2ccccc2CC[C@H]1c1cccnc1 ZINC000616592726 344408431 /nfs/dbraw/zinc/40/84/31/344408431.db2.gz GGNVCJWIBJSXSU-INIZCTEOSA-N 0 0 238.334 3.595 10 0 BHAERN CC(C)(C)N1c2ccccc2CC[C@H]1C(F)F ZINC000616592733 350469268 /nfs/dbraw/zinc/46/92/68/350469268.db2.gz GKXAXLYKZLJMMP-LBPRGKRZSA-N 0 0 239.309 3.871 10 0 BHAERN CC(C)N1c2ccccc2CC[C@H]1c1ccon1 ZINC000616592990 350491778 /nfs/dbraw/zinc/49/17/78/350491778.db2.gz JSMVCUYUJIEAHD-HNNXBMFYSA-N 0 0 242.322 3.577 10 0 BHAERN CC(C)(C)N1c2ccccc2CC[C@@H]1C(F)F ZINC000616593238 369099673 /nfs/dbraw/zinc/09/96/73/369099673.db2.gz GKXAXLYKZLJMMP-GFCCVEGCSA-N 0 0 239.309 3.871 10 0 BHAERN CC(C)N1c2ccccc2CC[C@@H]1c1ccon1 ZINC000616593589 350582011 /nfs/dbraw/zinc/58/20/11/350582011.db2.gz JSMVCUYUJIEAHD-OAHLLOKOSA-N 0 0 242.322 3.577 10 0 BHAERN Fc1ncc(Cc2ccccc2Cl)s1 ZINC000616593719 350584111 /nfs/dbraw/zinc/58/41/11/350584111.db2.gz YQUAXDDFULNXJI-UHFFFAOYSA-N 0 0 227.691 3.526 10 0 BHAERN Fc1ncc(Cc2ccc(Cl)cc2)s1 ZINC000616594084 350593426 /nfs/dbraw/zinc/59/34/26/350593426.db2.gz ZXMFZWJJRQSZGL-UHFFFAOYSA-N 0 0 227.691 3.526 10 0 BHAERN CC(C)N1c2ccccc2CC[C@H]1c1cocn1 ZINC000616594335 350593977 /nfs/dbraw/zinc/59/39/77/350593977.db2.gz PLYKZHFJOWPYJR-HNNXBMFYSA-N 0 0 242.322 3.577 10 0 BHAERN CC(C)(C)N1c2ccccc2CC[C@H]1F ZINC000616594375 350594417 /nfs/dbraw/zinc/59/44/17/350594417.db2.gz PVIPTBJQALUHLR-LBPRGKRZSA-N 0 0 207.292 3.533 10 0 BHAERN CC(C)N1c2ccccc2CC[C@H]1c1ccno1 ZINC000616594738 350596058 /nfs/dbraw/zinc/59/60/58/350596058.db2.gz QTWFFMGRFBJWCK-AWEZNQCLSA-N 0 0 242.322 3.577 10 0 BHAERN CC(C)N1c2ccccc2CC[C@@H]1c1cocn1 ZINC000616594902 350596212 /nfs/dbraw/zinc/59/62/12/350596212.db2.gz PLYKZHFJOWPYJR-OAHLLOKOSA-N 0 0 242.322 3.577 10 0 BHAERN CC(C)(C)N1c2ccccc2CC[C@@H]1F ZINC000616594943 350596972 /nfs/dbraw/zinc/59/69/72/350596972.db2.gz PVIPTBJQALUHLR-GFCCVEGCSA-N 0 0 207.292 3.533 10 0 BHAERN CC(C)N1c2ccccc2CC[C@@H]1c1ccno1 ZINC000616595732 350610944 /nfs/dbraw/zinc/61/09/44/350610944.db2.gz QTWFFMGRFBJWCK-CQSZACIVSA-N 0 0 242.322 3.577 10 0 BHAERN CC[C@H]1CCc2ccccc2N1C(C)C ZINC000616595746 350610839 /nfs/dbraw/zinc/61/08/39/350610839.db2.gz NLZARONDQHJHQT-ZDUSSCGKSA-N 0 0 203.329 3.626 10 0 BHAERN CCOC(=O)N1c2ccccc2CC[C@@H]1C(C)C ZINC000616596434 350634422 /nfs/dbraw/zinc/63/44/22/350634422.db2.gz UUFRBXGOWVCGLN-CYBMUJFWSA-N 0 0 247.338 3.620 10 0 BHAERN COC(=O)N1c2ccccc2CC[C@@H]1C(C)(C)C ZINC000616596452 350634324 /nfs/dbraw/zinc/63/43/24/350634324.db2.gz VHLDJACSOXFPGN-CYBMUJFWSA-N 0 0 247.338 3.620 10 0 BHAERN CC(C)N1c2ccccc2CC[C@@H]1C(F)(F)F ZINC000616596730 350636344 /nfs/dbraw/zinc/63/63/44/350636344.db2.gz ZMCJFUSXMZNYRR-GFCCVEGCSA-N 0 0 243.272 3.779 10 0 BHAERN CC(C)(C)N1CCCCC[C@@H]1C(F)(F)F ZINC000616606124 350796578 /nfs/dbraw/zinc/79/65/78/350796578.db2.gz ZHCQPRLWMSRYNI-SECBINFHSA-N 0 0 223.282 3.592 10 0 BHAERN CC[N@@H+]1CCC[C@@H](c2ccccc2Cl)CC1 ZINC000616611579 350809359 /nfs/dbraw/zinc/80/93/59/350809359.db2.gz SZDXIHZROPDFDD-GFCCVEGCSA-N 0 0 237.774 3.929 10 0 BHAERN CC(C)[N@@H+]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000616617928 350880235 /nfs/dbraw/zinc/88/02/35/350880235.db2.gz NCOBUTOLMVZLFW-ZDUSSCGKSA-N 0 0 237.774 3.928 10 0 BHAERN CC(C)(C)N1CCCCC[C@H]1OC(F)(F)F ZINC000616620329 350938522 /nfs/dbraw/zinc/93/85/22/350938522.db2.gz HFNSIBRFEQIHIT-SECBINFHSA-N 0 0 239.281 3.523 10 0 BHAERN CC(C)[C@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000616622123 398207108 /nfs/dbraw/zinc/20/71/08/398207108.db2.gz LAFVPFWCWHPEIY-GFCCVEGCSA-N 0 0 241.375 3.822 10 0 BHAERN C[N@@H+]1CCCCC[C@@H]1c1cccc(Cl)c1 ZINC000616622667 351084777 /nfs/dbraw/zinc/08/47/77/351084777.db2.gz HPYADUNBYGKMNR-CYBMUJFWSA-N 0 0 223.747 3.887 10 0 BHAERN CC(C)[C@@H]1CCCCCN1C(=O)OC(C)(C)C ZINC000616623152 351088383 /nfs/dbraw/zinc/08/83/83/351088383.db2.gz LAFVPFWCWHPEIY-LBPRGKRZSA-N 0 0 241.375 3.822 10 0 BHAERN FC(F)[C@@H]1CCCCCN1Cc1ccccc1 ZINC000616623705 351090467 /nfs/dbraw/zinc/09/04/67/351090467.db2.gz PQLHCJMVDWPFAY-ZDUSSCGKSA-N 0 0 239.309 3.696 10 0 BHAERN CC(C)(C)N1CCCCC[C@H]1C(F)(F)F ZINC000616634667 351118101 /nfs/dbraw/zinc/11/81/01/351118101.db2.gz ZHCQPRLWMSRYNI-VIFPVBQESA-N 0 0 223.282 3.592 10 0 BHAERN CNc1cccc([C@@H]2CCc3ccccc3N2)c1 ZINC000616666363 351226618 /nfs/dbraw/zinc/22/66/18/351226618.db2.gz KIHCNEBTKQNFRV-INIZCTEOSA-N 0 0 238.334 3.828 10 0 BHAERN CNc1ccc([C@@H]2CCc3ccccc3N2)cc1 ZINC000616666681 351227486 /nfs/dbraw/zinc/22/74/86/351227486.db2.gz QUQNTRJSCQMUFH-INIZCTEOSA-N 0 0 238.334 3.828 10 0 BHAERN CNc1ccccc1[C@@H]1CCc2ccccc2N1 ZINC000616666793 351227504 /nfs/dbraw/zinc/22/75/04/351227504.db2.gz WTQWDRAHZQIFQN-INIZCTEOSA-N 0 0 238.334 3.828 10 0 BHAERN CN1c2ccccc2CC[C@@H]1c1cccc(F)c1 ZINC000616666934 351227263 /nfs/dbraw/zinc/22/72/63/351227263.db2.gz AFRJGSIFPKJDEH-MRXNPFEDSA-N 0 0 241.309 3.949 10 0 BHAERN CCN1c2ccccc2CC[C@@H]1c1ccncc1 ZINC000616667761 343534963 /nfs/dbraw/zinc/53/49/63/343534963.db2.gz CYQZQWGINRUAGJ-MRXNPFEDSA-N 0 0 238.334 3.595 10 0 BHAERN CN1c2ccccc2CC[C@@H]1c1ccccc1F 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UMJVNZAVAYCYQB-GOEBONIOSA-N 0 0 245.366 3.619 10 0 BHAERN CCCc1ccccc1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000667714851 488099842 /nfs/dbraw/zinc/09/98/42/488099842.db2.gz UMJVNZAVAYCYQB-HOCLYGCPSA-N 0 0 245.366 3.619 10 0 BHAERN CCCc1ccccc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000667714852 488099974 /nfs/dbraw/zinc/09/99/74/488099974.db2.gz UMJVNZAVAYCYQB-ZBFHGGJFSA-N 0 0 245.366 3.619 10 0 BHAERN CC(C)c1ccccc1N[C@@H]1CO[C@H](C2CC2)C1 ZINC000667735972 488104762 /nfs/dbraw/zinc/10/47/62/488104762.db2.gz LTQYLKZXZVIXSR-BBRMVZONSA-N 0 0 245.366 3.789 10 0 BHAERN CC(C)c1ccccc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000667735973 488104466 /nfs/dbraw/zinc/10/44/66/488104466.db2.gz LTQYLKZXZVIXSR-CJNGLKHVSA-N 0 0 245.366 3.789 10 0 BHAERN CC(C)c1ccccc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000667735974 488104254 /nfs/dbraw/zinc/10/42/54/488104254.db2.gz LTQYLKZXZVIXSR-CZUORRHYSA-N 0 0 245.366 3.789 10 0 BHAERN CC(C)c1ccccc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667735975 488104501 /nfs/dbraw/zinc/10/45/01/488104501.db2.gz LTQYLKZXZVIXSR-XJKSGUPXSA-N 0 0 245.366 3.789 10 0 BHAERN CCc1cc(N[C@H]2CO[C@H](C3CC3)C2)ccc1C ZINC000667944102 488164542 /nfs/dbraw/zinc/16/45/42/488164542.db2.gz GLNUMBQKQYHXKL-CVEARBPZSA-N 0 0 245.366 3.537 10 0 BHAERN CCc1cc(N[C@@H]2CO[C@H](C3CC3)C2)ccc1C ZINC000667944103 488164105 /nfs/dbraw/zinc/16/41/05/488164105.db2.gz GLNUMBQKQYHXKL-HOTGVXAUSA-N 0 0 245.366 3.537 10 0 BHAERN CCc1cc(N[C@H]2CO[C@@H](C3CC3)C2)ccc1C ZINC000667944104 488163964 /nfs/dbraw/zinc/16/39/64/488163964.db2.gz GLNUMBQKQYHXKL-HZPDHXFCSA-N 0 0 245.366 3.537 10 0 BHAERN CCc1cc(N[C@@H]2CO[C@@H](C3CC3)C2)ccc1C ZINC000667944105 488164158 /nfs/dbraw/zinc/16/41/58/488164158.db2.gz GLNUMBQKQYHXKL-JKSUJKDBSA-N 0 0 245.366 3.537 10 0 BHAERN Cc1cc(C(F)F)nc2cc(F)ccc12 ZINC000669371878 537949179 /nfs/dbraw/zinc/94/91/79/537949179.db2.gz ADJCQLAWPJDYMY-UHFFFAOYSA-N 0 0 211.186 3.620 10 0 BHAERN CCc1nc2ccc(F)cc2c(CC)c1C ZINC000669371915 537948534 /nfs/dbraw/zinc/94/85/34/537948534.db2.gz BHAXLSDNWSWBLH-UHFFFAOYSA-N 0 0 217.287 3.807 10 0 BHAERN Cc1c(C)c(C2CC2)nc2cc(F)ccc12 ZINC000669371964 537948090 /nfs/dbraw/zinc/94/80/90/537948090.db2.gz CVAUIXFENPDHRX-UHFFFAOYSA-N 0 0 215.271 3.868 10 0 BHAERN Cc1cc(C(C)(C)C)nc2cc(F)ccc12 ZINC000669372056 537949117 /nfs/dbraw/zinc/94/91/17/537949117.db2.gz HMWWKAZGOVCLLK-UHFFFAOYSA-N 0 0 217.287 3.980 10 0 BHAERN CCc1cc(C)nc2cc(C)c(F)cc12 ZINC000669372184 537949251 /nfs/dbraw/zinc/94/92/51/537949251.db2.gz HAFYYOCMEVJRHX-UHFFFAOYSA-N 0 0 203.260 3.553 10 0 BHAERN CCc1cc(C)nc2cc(F)c(Cl)cc12 ZINC000669372188 537949102 /nfs/dbraw/zinc/94/91/02/537949102.db2.gz HBLHNKCHMSFXDT-UHFFFAOYSA-N 0 0 223.678 3.898 10 0 BHAERN Cc1cc(C)c2cc(Cl)c(F)cc2n1 ZINC000669372192 537948966 /nfs/dbraw/zinc/94/89/66/537948966.db2.gz HFPGFTLSBIYGQC-UHFFFAOYSA-N 0 0 209.651 3.644 10 0 BHAERN Cc1cc(C2CCC2)nc2cc(F)ccc12 ZINC000669372193 537948781 /nfs/dbraw/zinc/94/87/81/537948781.db2.gz HIMRONMHTBRAMU-UHFFFAOYSA-N 0 0 215.271 3.950 10 0 BHAERN CCc1cc(C)nc2cc(F)c(F)c(F)c12 ZINC000669372231 537949678 /nfs/dbraw/zinc/94/96/78/537949678.db2.gz JDJUHWZZAFCOSE-UHFFFAOYSA-N 0 0 225.213 3.523 10 0 BHAERN CCc1cc(C(F)F)nc2cc(F)ccc12 ZINC000669372244 537949798 /nfs/dbraw/zinc/94/97/98/537949798.db2.gz KGBWXKSHJJPAKJ-UHFFFAOYSA-N 0 0 225.213 3.874 10 0 BHAERN CCc1nc2cc(F)c(F)cc2c(C)c1C ZINC000669372246 537949916 /nfs/dbraw/zinc/94/99/16/537949916.db2.gz KIRYVTLWOFCDKG-UHFFFAOYSA-N 0 0 221.250 3.692 10 0 BHAERN Cc1c(C)c(C2CC2)nc2ccc(F)cc12 ZINC000669372370 636548345 /nfs/dbraw/zinc/54/83/45/636548345.db2.gz OGXRYRLIRFXIPE-UHFFFAOYSA-N 0 0 215.271 3.868 10 0 BHAERN Cc1cc(C2CCC2)nc2ccc(F)cc12 ZINC000669372381 636548911 /nfs/dbraw/zinc/54/89/11/636548911.db2.gz OYMRDVPGCQUMJU-UHFFFAOYSA-N 0 0 215.271 3.950 10 0 BHAERN CCc1nc2ccc(F)cc2c(C)c1C ZINC000669372387 636548224 /nfs/dbraw/zinc/54/82/24/636548224.db2.gz PWMYNQGRJWNTLI-UHFFFAOYSA-N 0 0 203.260 3.553 10 0 BHAERN CCc1cc(C)nc2cc(Cl)c(F)cc12 ZINC000669372410 636550133 /nfs/dbraw/zinc/55/01/33/636550133.db2.gz OKUQGOHVQRVPII-UHFFFAOYSA-N 0 0 223.678 3.898 10 0 BHAERN Cc1cc(C(C)C)nc2cc(F)ccc12 ZINC000669372432 566420992 /nfs/dbraw/zinc/42/09/92/566420992.db2.gz PFNIRQKBVKLVCY-UHFFFAOYSA-N 0 0 203.260 3.806 10 0 BHAERN CCc1cc(C(F)F)nc2ccc(F)cc12 ZINC000669372488 566421216 /nfs/dbraw/zinc/42/12/16/566421216.db2.gz PTWXSDBMBGSXRM-UHFFFAOYSA-N 0 0 225.213 3.874 10 0 BHAERN CCc1nc2cc(C)c(F)cc2c(C)c1C ZINC000669372515 566421003 /nfs/dbraw/zinc/42/10/03/566421003.db2.gz QQYAHGSMBGGORJ-UHFFFAOYSA-N 0 0 217.287 3.862 10 0 BHAERN Cc1cc2nc(C(F)F)cc(C)c2cc1F ZINC000669372578 636547540 /nfs/dbraw/zinc/54/75/40/636547540.db2.gz SHWQSEXIQPYYGU-UHFFFAOYSA-N 0 0 225.213 3.928 10 0 BHAERN Cc1cc(C(F)F)nc2cc(F)c(F)cc12 ZINC000669372586 636549855 /nfs/dbraw/zinc/54/98/55/636549855.db2.gz SWQTWNJDLIJPHM-UHFFFAOYSA-N 0 0 229.176 3.759 10 0 BHAERN CCc1nc2cc(F)c(C)cc2c(C)c1C ZINC000669372643 541435988 /nfs/dbraw/zinc/43/59/88/541435988.db2.gz VARYUOQTCKIIFW-UHFFFAOYSA-N 0 0 217.287 3.862 10 0 BHAERN Cc1cc(C(C)C)nc2cc(F)c(F)cc12 ZINC000669372648 541435966 /nfs/dbraw/zinc/43/59/66/541435966.db2.gz VFMGIMHFYUWCTD-UHFFFAOYSA-N 0 0 221.250 3.945 10 0 BHAERN Cc1cc2c(C)cc(C(F)F)nc2cc1F ZINC000669372650 541435956 /nfs/dbraw/zinc/43/59/56/541435956.db2.gz VJGSVQOVQMJAGX-UHFFFAOYSA-N 0 0 225.213 3.928 10 0 BHAERN Cc1cc(C(F)(F)F)nc2cc(F)ccc12 ZINC000669372654 541435978 /nfs/dbraw/zinc/43/59/78/541435978.db2.gz VICIVSJYXAWZMM-UHFFFAOYSA-N 0 0 229.176 3.701 10 0 BHAERN Cc1cc(C(C)C)nc2ccc(F)cc12 ZINC000669372665 537950640 /nfs/dbraw/zinc/95/06/40/537950640.db2.gz VQQYQGBAHRFTSQ-UHFFFAOYSA-N 0 0 203.260 3.806 10 0 BHAERN Cc1cc(C(F)F)nc2ccc(F)cc12 ZINC000669372670 537950302 /nfs/dbraw/zinc/95/03/02/537950302.db2.gz VWJWBRAFXTUBFL-UHFFFAOYSA-N 0 0 211.186 3.620 10 0 BHAERN CCc1nc2cc(F)ccc2c(CC)c1C ZINC000669372680 537950226 /nfs/dbraw/zinc/95/02/26/537950226.db2.gz WISZAZPUKKOLFP-UHFFFAOYSA-N 0 0 217.287 3.807 10 0 BHAERN CCc1cc(C)nc2cc(F)c(C)cc12 ZINC000669372740 537950245 /nfs/dbraw/zinc/95/02/45/537950245.db2.gz YHTOROCKQIARAV-UHFFFAOYSA-N 0 0 203.260 3.553 10 0 BHAERN Cc1ccc(N)cc1-c1c(C)nccc1Cl ZINC000669379445 537979550 /nfs/dbraw/zinc/97/95/50/537979550.db2.gz BSUOUSKMXBSWFQ-UHFFFAOYSA-N 0 0 232.714 3.601 10 0 BHAERN Cc1nccc(Cl)c1-c1cccc(F)c1 ZINC000669379471 537980085 /nfs/dbraw/zinc/98/00/85/537980085.db2.gz CVDPLEAZZRVHGW-UHFFFAOYSA-N 0 0 221.662 3.850 10 0 BHAERN Cc1nccc(Cl)c1-c1ccc(F)cc1 ZINC000669379829 537982310 /nfs/dbraw/zinc/98/23/10/537982310.db2.gz KVUTULVIZNFXBR-UHFFFAOYSA-N 0 0 221.662 3.850 10 0 BHAERN CC(C)Nc1ccc(-c2ccc(F)o2)cc1 ZINC000669380441 537989842 /nfs/dbraw/zinc/98/98/42/537989842.db2.gz NNBGPPXFYCRLIJ-UHFFFAOYSA-N 0 0 219.259 3.906 10 0 BHAERN CNc1ccc(-c2cccc(F)c2F)cc1 ZINC000669380457 537989035 /nfs/dbraw/zinc/98/90/35/537989035.db2.gz NRRGZGHCVQZHHG-UHFFFAOYSA-N 0 0 219.234 3.674 10 0 BHAERN CCNc1ccc(-c2cccc(F)c2)cc1 ZINC000669380508 537990251 /nfs/dbraw/zinc/99/02/51/537990251.db2.gz PQLHRFFDKGFPJG-UHFFFAOYSA-N 0 0 215.271 3.925 10 0 BHAERN CCNc1ccc(-c2ccc(F)o2)cc1 ZINC000669380592 636580333 /nfs/dbraw/zinc/58/03/33/636580333.db2.gz RRJJYKWZHJEQIE-UHFFFAOYSA-N 0 0 205.232 3.518 10 0 BHAERN Cc1ccc(-c2cncc(N)c2C)cc1Cl ZINC000669380827 537992689 /nfs/dbraw/zinc/99/26/89/537992689.db2.gz QOHGAXXFHRMSKK-UHFFFAOYSA-N 0 0 232.714 3.601 10 0 BHAERN Cc1ccc(-c2cncc(N)c2C)c(Cl)c1 ZINC000669380973 537991718 /nfs/dbraw/zinc/99/17/18/537991718.db2.gz UQIGHFPUVNPSKO-UHFFFAOYSA-N 0 0 232.714 3.601 10 0 BHAERN CC(C)(C)c1coc(CNc2ccsc2)n1 ZINC000669381764 537995779 /nfs/dbraw/zinc/99/57/79/537995779.db2.gz UNSPZUIHVNKLAB-UHFFFAOYSA-N 0 0 236.340 3.646 10 0 BHAERN Fc1ccc(Cl)cc1-c1cnc(Cl)cn1 ZINC000669382623 538002071 /nfs/dbraw/zinc/00/20/71/538002071.db2.gz DXOPQVZMTGANBJ-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Clc1cc(C[C@H]2CO2)cc(Cl)c1Cl ZINC000669382672 538005326 /nfs/dbraw/zinc/00/53/26/538005326.db2.gz LPRYYXMGCKUFNX-LURJTMIESA-N 0 0 237.513 3.588 10 0 BHAERN Clc1cc(C[C@@H]2CO2)cc(Cl)c1Cl ZINC000669382673 538005427 /nfs/dbraw/zinc/00/54/27/538005427.db2.gz LPRYYXMGCKUFNX-ZCFIWIBFSA-N 0 0 237.513 3.588 10 0 BHAERN Clc1cc(Cl)c(C[C@H]2CO2)cc1Cl ZINC000669383140 538008923 /nfs/dbraw/zinc/00/89/23/538008923.db2.gz ZXDOWRHJYJNNSY-LURJTMIESA-N 0 0 237.513 3.588 10 0 BHAERN Clc1cc(Cl)c(C[C@@H]2CO2)cc1Cl ZINC000669383141 538008631 /nfs/dbraw/zinc/00/86/31/538008631.db2.gz ZXDOWRHJYJNNSY-ZCFIWIBFSA-N 0 0 237.513 3.588 10 0 BHAERN Cc1cc(-c2ccc(C)c(F)c2)sn1 ZINC000669385106 538020153 /nfs/dbraw/zinc/02/01/53/538020153.db2.gz YGFZUNGXALFUJW-UHFFFAOYSA-N 0 0 207.273 3.566 10 0 BHAERN C[C@@H]1CNc2c(Cl)cc(C(F)(F)F)cc2C1 ZINC000675050236 538472175 /nfs/dbraw/zinc/47/21/75/538472175.db2.gz MIBOAHKITBHRDP-LURJTMIESA-N 0 0 249.663 3.963 10 0 BHAERN C[C@H]1CNc2c(Cl)cc(C(F)(F)F)cc2C1 ZINC000675050237 538472171 /nfs/dbraw/zinc/47/21/71/538472171.db2.gz MIBOAHKITBHRDP-ZCFIWIBFSA-N 0 0 249.663 3.963 10 0 BHAERN O=Cc1ccc(C=C2CCCC2)cc1F ZINC000675051399 538474419 /nfs/dbraw/zinc/47/44/19/538474419.db2.gz JFNUVSZIQMZRCG-UHFFFAOYSA-N 0 0 204.244 3.596 10 0 BHAERN CC(C)(C)c1cccc2cc(C=O)c(Cl)nc21 ZINC000675051437 538474498 /nfs/dbraw/zinc/47/44/98/538474498.db2.gz KTFFFZFGBWCOKD-UHFFFAOYSA-N 0 0 247.725 3.998 10 0 BHAERN O=Cc1cc(C=C2CCCCC2)cs1 ZINC000675051541 538475103 /nfs/dbraw/zinc/47/51/03/538475103.db2.gz NKTFCNUEMBAEAQ-UHFFFAOYSA-N 0 0 206.310 3.908 10 0 BHAERN O=Cc1c(F)cccc1C=C1CCCC1 ZINC000675051586 538474782 /nfs/dbraw/zinc/47/47/82/538474782.db2.gz OSIBRKSIPBYKDF-UHFFFAOYSA-N 0 0 204.244 3.596 10 0 BHAERN O=Cc1cc(F)ccc1C=C1CCCCC1 ZINC000675051738 538475342 /nfs/dbraw/zinc/47/53/42/538475342.db2.gz SINHXBXNDYLEPR-UHFFFAOYSA-N 0 0 218.271 3.986 10 0 BHAERN CC(C)C=C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000675051885 566374695 /nfs/dbraw/zinc/37/46/95/566374695.db2.gz WJIXOFIBKQPSOU-UHFFFAOYSA-N 0 0 239.359 3.600 10 0 BHAERN O=Cc1sccc1C=C1CCCCC1 ZINC000675051888 566374997 /nfs/dbraw/zinc/37/49/97/566374997.db2.gz WMWDOSFJKDAPFI-UHFFFAOYSA-N 0 0 206.310 3.908 10 0 BHAERN O=Cc1ccc(C=C2CCCCCC2)cn1 ZINC000675051900 566374740 /nfs/dbraw/zinc/37/47/40/566374740.db2.gz WYOYTUIOEKURTA-UHFFFAOYSA-N 0 0 215.296 3.632 10 0 BHAERN CCCc1oc(C2CCCC2)cc1C=O ZINC000675052756 537860347 /nfs/dbraw/zinc/86/03/47/537860347.db2.gz DHFCBXBBAHWIKF-UHFFFAOYSA-N 0 0 206.285 3.702 10 0 BHAERN O=Cc1cccc(-c2ccc3c(c2)C=CC3)c1 ZINC000675052822 566412205 /nfs/dbraw/zinc/41/22/05/566412205.db2.gz AFQZNQQYFMXQHE-UHFFFAOYSA-N 0 0 220.271 3.735 10 0 BHAERN CC[C@@H](C)c1cc(C=O)c(C2CCC2)o1 ZINC000675052848 583916189 /nfs/dbraw/zinc/91/61/89/583916189.db2.gz AYNRNAREQKXBPT-SECBINFHSA-N 0 0 206.285 3.873 10 0 BHAERN CC[C@H](C)c1cc(C=O)c(C2CCC2)o1 ZINC000675052849 583916171 /nfs/dbraw/zinc/91/61/71/583916171.db2.gz AYNRNAREQKXBPT-VIFPVBQESA-N 0 0 206.285 3.873 10 0 BHAERN O=Cc1cc(C2CCCC2)oc1C(F)F ZINC000675052878 566412539 /nfs/dbraw/zinc/41/25/39/566412539.db2.gz BLKUETBUCLHXDI-UHFFFAOYSA-N 0 0 214.211 3.687 10 0 BHAERN Cc1ccc(N)cc1-c1ccc2c(c1)C=CC2 ZINC000675053007 566412280 /nfs/dbraw/zinc/41/22/80/566412280.db2.gz DILXCTZHFGKFJF-UHFFFAOYSA-N 0 0 221.303 3.814 10 0 BHAERN O=Cc1ccc(-c2ccc3c(c2)C=CC3)cc1 ZINC000675053262 537866581 /nfs/dbraw/zinc/86/65/81/537866581.db2.gz GXHBXBHPOFMCPF-UHFFFAOYSA-N 0 0 220.271 3.735 10 0 BHAERN CC[C@H](C)c1cc(C=O)c(C(F)F)o1 ZINC000675053300 537865074 /nfs/dbraw/zinc/86/50/74/537865074.db2.gz HKMHRYKDXAWLLP-LURJTMIESA-N 0 0 202.200 3.543 10 0 BHAERN CC[C@@H](C)c1cc(C=O)c(C(F)F)o1 ZINC000675053305 537866362 /nfs/dbraw/zinc/86/63/62/537866362.db2.gz HKMHRYKDXAWLLP-ZCFIWIBFSA-N 0 0 202.200 3.543 10 0 BHAERN O=Cc1ccc(-c2ccc3c(c2)C=CC3)cc1F ZINC000675053319 537863644 /nfs/dbraw/zinc/86/36/44/537863644.db2.gz HTHRRHQIDDCTCQ-UHFFFAOYSA-N 0 0 238.261 3.875 10 0 BHAERN CC(C)(C)c1cc(C=O)c(C2CCC2)o1 ZINC000675053390 537865857 /nfs/dbraw/zinc/86/58/57/537865857.db2.gz JKLVFWYFMIFNNW-UHFFFAOYSA-N 0 0 206.285 3.657 10 0 BHAERN CCC(C)(C)c1cc(C=O)c(C2CC2)o1 ZINC000675053616 537887157 /nfs/dbraw/zinc/88/71/57/537887157.db2.gz JKSBLTIBHCOWRV-UHFFFAOYSA-N 0 0 206.285 3.657 10 0 BHAERN CCC(C)(C)c1cc(C=O)c(C(C)C)o1 ZINC000675053699 566415558 /nfs/dbraw/zinc/41/55/58/566415558.db2.gz KOIIJZGKHQUWQC-UHFFFAOYSA-N 0 0 208.301 3.903 10 0 BHAERN Fc1ccc(-c2ccc3c(c2)C=CC3)o1 ZINC000675053795 566415316 /nfs/dbraw/zinc/41/53/16/566415316.db2.gz LRBQMZCIWDLPDP-UHFFFAOYSA-N 0 0 200.212 3.655 10 0 BHAERN CCC(C)(C)c1cc(C=O)c(C(F)F)o1 ZINC000675053859 583929052 /nfs/dbraw/zinc/92/90/52/583929052.db2.gz OKDDAMBNQWNHFU-UHFFFAOYSA-N 0 0 216.227 3.717 10 0 BHAERN O=Cc1ccc(-c2ccc3c(c2)C=CC3)s1 ZINC000675054554 537947301 /nfs/dbraw/zinc/94/73/01/537947301.db2.gz WMQXOMWBDIABMJ-UHFFFAOYSA-N 0 0 226.300 3.797 10 0 BHAERN CC(C)c1oc(C2CCCC2)cc1C=O ZINC000675055156 537987948 /nfs/dbraw/zinc/98/79/48/537987948.db2.gz QLADKZLMKKIZRB-UHFFFAOYSA-N 0 0 206.285 3.873 10 0 BHAERN CC[C@@H](C)c1cc(C=O)c(C(C)(C)C)o1 ZINC000675055181 537985342 /nfs/dbraw/zinc/98/53/42/537985342.db2.gz QUZXYPHCOMLWOF-SECBINFHSA-N 0 0 208.301 3.903 10 0 BHAERN CC[C@H](C)c1cc(C=O)c(C(C)(C)C)o1 ZINC000675055182 537984276 /nfs/dbraw/zinc/98/42/76/537984276.db2.gz QUZXYPHCOMLWOF-VIFPVBQESA-N 0 0 208.301 3.903 10 0 BHAERN CCCc1oc(C(C)(C)CC)cc1C=O ZINC000675055425 538476076 /nfs/dbraw/zinc/47/60/76/538476076.db2.gz SGQCWMCKYZFQNJ-UHFFFAOYSA-N 0 0 208.301 3.732 10 0 BHAERN O=Cc1cc(C2CCCC2)oc1C1CC1 ZINC000675055587 538475784 /nfs/dbraw/zinc/47/57/84/538475784.db2.gz VMDCKCPOCMQWML-UHFFFAOYSA-N 0 0 204.269 3.627 10 0 BHAERN CCc1oc(C2CCCCC2)cc1C=O ZINC000675055662 538476377 /nfs/dbraw/zinc/47/63/77/538476377.db2.gz WEJDKYLUYNIUCU-UHFFFAOYSA-N 0 0 206.285 3.702 10 0 BHAERN Cc1cc(F)ccc1-c1csc(C=O)c1 ZINC000675055878 538477074 /nfs/dbraw/zinc/47/70/74/538477074.db2.gz AXZZKTLVNRHXIF-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN Cc1cc(F)ccc1-c1ccsc1C=O ZINC000675055995 538477196 /nfs/dbraw/zinc/47/71/96/538477196.db2.gz HGGXAULKKFUGRS-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN Cc1ccsc1-c1ccc(F)c(N)c1F ZINC000675056073 538477624 /nfs/dbraw/zinc/47/76/24/538477624.db2.gz AXIUDNQAGJAFHB-UHFFFAOYSA-N 0 0 225.263 3.584 10 0 BHAERN Cc1cc(F)ccc1-c1c(F)cccc1C=O ZINC000675056174 538477649 /nfs/dbraw/zinc/47/76/49/538477649.db2.gz KYQWEMWIZWBCMO-UHFFFAOYSA-N 0 0 232.229 3.753 10 0 BHAERN Nc1c(F)ccc(-c2ccccc2Cl)c1F ZINC000675056285 541462468 /nfs/dbraw/zinc/46/24/68/541462468.db2.gz GNZAGWITFLNIDZ-UHFFFAOYSA-N 0 0 239.652 3.867 10 0 BHAERN Cc1ccc(-c2ccc(F)cc2C)cn1 ZINC000675056362 538478363 /nfs/dbraw/zinc/47/83/63/538478363.db2.gz OINHMBGYXFEURL-UHFFFAOYSA-N 0 0 201.244 3.505 10 0 BHAERN COc1cc(C)ccc1-c1ccc(F)c(N)c1F ZINC000675056415 538478415 /nfs/dbraw/zinc/47/84/15/538478415.db2.gz JTNJWTLWVPOALK-UHFFFAOYSA-N 0 0 249.260 3.531 10 0 BHAERN Cc1cc(-c2ccc(F)c(N)c2F)ccc1F ZINC000675056430 538478421 /nfs/dbraw/zinc/47/84/21/538478421.db2.gz KARVAIKCDFPEEE-UHFFFAOYSA-N 0 0 237.224 3.662 10 0 BHAERN Nc1c(F)ccc(-c2cccc(Cl)c2)c1F ZINC000675056457 538478150 /nfs/dbraw/zinc/47/81/50/538478150.db2.gz KLKSUNYXBCVLMX-UHFFFAOYSA-N 0 0 239.652 3.867 10 0 BHAERN COc1cc(F)cc(-c2ccc(F)cc2C)c1 ZINC000675056746 538478637 /nfs/dbraw/zinc/47/86/37/538478637.db2.gz WMIKNUZIQVIRPJ-UHFFFAOYSA-N 0 0 234.245 3.949 10 0 BHAERN FC1(F)CCC(CNc2ccsc2)CC1 ZINC000675056885 538478631 /nfs/dbraw/zinc/47/86/31/538478631.db2.gz YKAZWPWQXVIWAL-UHFFFAOYSA-N 0 0 231.311 3.986 10 0 BHAERN Cc1ccc(F)c(-c2ccc(F)c(N)c2F)c1 ZINC000675056887 538479251 /nfs/dbraw/zinc/47/92/51/538479251.db2.gz RCUINZDLCYIZMD-UHFFFAOYSA-N 0 0 237.224 3.662 10 0 BHAERN Cc1ccc(F)cc1-c1ccc(F)c(N)c1F ZINC000675056994 538479031 /nfs/dbraw/zinc/47/90/31/538479031.db2.gz UCDRWMNLNPUDCJ-UHFFFAOYSA-N 0 0 237.224 3.662 10 0 BHAERN Cc1ccc(-c2ccc(F)c(N)c2F)cc1F ZINC000675057011 538478889 /nfs/dbraw/zinc/47/88/89/538478889.db2.gz UFPQGKYERDKCTM-UHFFFAOYSA-N 0 0 237.224 3.662 10 0 BHAERN Cc1ccc(-c2ccc(F)c(N)c2F)s1 ZINC000675057142 538479233 /nfs/dbraw/zinc/47/92/33/538479233.db2.gz WJCNPUVDIKAGGX-UHFFFAOYSA-N 0 0 225.263 3.584 10 0 BHAERN Cc1cc(F)ccc1-c1ccc(F)c(N)c1F ZINC000675057216 541462874 /nfs/dbraw/zinc/46/28/74/541462874.db2.gz YPRHKSLENKWGJX-UHFFFAOYSA-N 0 0 237.224 3.662 10 0 BHAERN Nc1c(F)ccc(-c2ccc(Cl)cc2)c1F ZINC000675057269 541463070 /nfs/dbraw/zinc/46/30/70/541463070.db2.gz ZXGOYJQDHPPOQI-UHFFFAOYSA-N 0 0 239.652 3.867 10 0 BHAERN CCOC(=O)c1sccc1CCC(C)C ZINC000675057426 538480242 /nfs/dbraw/zinc/48/02/42/538480242.db2.gz BADOVUGHIXHKSX-UHFFFAOYSA-N 0 0 226.341 3.513 10 0 BHAERN CCOC(=O)c1sccc1CC(C)(C)CC ZINC000675057505 538479616 /nfs/dbraw/zinc/47/96/16/538479616.db2.gz DJILBFNXABIKHG-UHFFFAOYSA-N 0 0 240.368 3.904 10 0 BHAERN CCOC(=O)c1sccc1CC(F)(F)CC ZINC000675057673 538480128 /nfs/dbraw/zinc/48/01/28/538480128.db2.gz HYNYBHRQXVESKW-UHFFFAOYSA-N 0 0 248.294 3.513 10 0 BHAERN CCCCCc1ccsc1C(=O)OCC ZINC000675057684 538479657 /nfs/dbraw/zinc/47/96/57/538479657.db2.gz ILCQRNOWQPBSTK-UHFFFAOYSA-N 0 0 226.341 3.658 10 0 BHAERN CCC[C@@H](C)c1ccsc1C(=O)OCC ZINC000675057790 538480105 /nfs/dbraw/zinc/48/01/05/538480105.db2.gz JPQBQLHAXTWFEG-SECBINFHSA-N 0 0 226.341 3.828 10 0 BHAERN CCC[C@H](C)c1ccsc1C(=O)OCC ZINC000675057795 538479707 /nfs/dbraw/zinc/47/97/07/538479707.db2.gz JPQBQLHAXTWFEG-VIFPVBQESA-N 0 0 226.341 3.828 10 0 BHAERN CC(C)Cc1ccc2ccc(O)cc2c1 ZINC000675057822 538480867 /nfs/dbraw/zinc/48/08/67/538480867.db2.gz KGDKUURBTCSPSQ-UHFFFAOYSA-N 0 0 200.281 3.744 10 0 BHAERN CCCCc1ccc2ccc(O)cc2c1 ZINC000675057975 538480968 /nfs/dbraw/zinc/48/09/68/538480968.db2.gz OPPZAJKZVVQKCR-UHFFFAOYSA-N 0 0 200.281 3.888 10 0 BHAERN CCOC(=O)c1sccc1C(CC)CC ZINC000675058033 538480843 /nfs/dbraw/zinc/48/08/43/538480843.db2.gz QDSOAUGGYUDQTL-UHFFFAOYSA-N 0 0 226.341 3.828 10 0 BHAERN Cc1ccc(Cl)cc1-c1cncc(C=O)c1 ZINC000675058101 538481001 /nfs/dbraw/zinc/48/10/01/538481001.db2.gz SKTTUNFDUYLXDG-UHFFFAOYSA-N 0 0 231.682 3.523 10 0 BHAERN CCOC(=O)c1sccc1[C@H](C)C(C)C ZINC000675058114 538480507 /nfs/dbraw/zinc/48/05/07/538480507.db2.gz SYACGTKWGDYQIW-SECBINFHSA-N 0 0 226.341 3.684 10 0 BHAERN CCOC(=O)c1sccc1[C@@H](C)C(C)C ZINC000675058115 538480462 /nfs/dbraw/zinc/48/04/62/538480462.db2.gz SYACGTKWGDYQIW-VIFPVBQESA-N 0 0 226.341 3.684 10 0 BHAERN CCOC(=O)c1sccc1CC1CCCC1 ZINC000675058119 538480761 /nfs/dbraw/zinc/48/07/61/538480761.db2.gz TUQWACZBBFUYRY-UHFFFAOYSA-N 0 0 238.352 3.658 10 0 BHAERN CCOC(=O)c1sccc1C(C)(C)CC ZINC000675058142 538480957 /nfs/dbraw/zinc/48/09/57/538480957.db2.gz UWIHYBDZFCDBKM-UHFFFAOYSA-N 0 0 226.341 3.612 10 0 BHAERN CCOC(=O)c1sccc1C1CC(C)(C)C1 ZINC000675058200 538481207 /nfs/dbraw/zinc/48/12/07/538481207.db2.gz WMNHSPKJWTUPDR-UHFFFAOYSA-N 0 0 238.352 3.828 10 0 BHAERN CCOC(=O)c1sccc1C[C@H](C)CC ZINC000675058209 538481587 /nfs/dbraw/zinc/48/15/87/538481587.db2.gz XCTRFGQJBRNXKI-SECBINFHSA-N 0 0 226.341 3.513 10 0 BHAERN CCOC(=O)c1sccc1C[C@@H](C)CC ZINC000675058211 538481743 /nfs/dbraw/zinc/48/17/43/538481743.db2.gz XCTRFGQJBRNXKI-VIFPVBQESA-N 0 0 226.341 3.513 10 0 BHAERN CCOC(=O)c1sccc1[C@@H](C)C(C)(F)F ZINC000675058264 538481500 /nfs/dbraw/zinc/48/15/00/538481500.db2.gz YDWWGHGFPFKSTF-SSDOTTSWSA-N 0 0 248.294 3.684 10 0 BHAERN CCOC(=O)c1sccc1[C@H](C)C(C)(F)F ZINC000675058265 538481411 /nfs/dbraw/zinc/48/14/11/538481411.db2.gz YDWWGHGFPFKSTF-ZETCQYMHSA-N 0 0 248.294 3.684 10 0 BHAERN Nc1c(F)ccc(-c2ccc(Cl)s2)c1F ZINC000675058894 538482443 /nfs/dbraw/zinc/48/24/43/538482443.db2.gz BGBMXYSNSAOYAX-UHFFFAOYSA-N 0 0 245.681 3.929 10 0 BHAERN Nc1c(F)ccc(-c2cc(Cl)cs2)c1F ZINC000675059947 538485360 /nfs/dbraw/zinc/48/53/60/538485360.db2.gz YQANUXQZAALTSZ-UHFFFAOYSA-N 0 0 245.681 3.929 10 0 BHAERN Cc1cc(-c2cn(C)nc2C(C)C)ccc1F ZINC000675070087 538499691 /nfs/dbraw/zinc/49/96/91/538499691.db2.gz PEFZZEITHFNHJK-UHFFFAOYSA-N 0 0 232.302 3.658 10 0 BHAERN Cc1ccc(F)c(-c2cn(C)nc2C(C)C)c1 ZINC000675070247 538500223 /nfs/dbraw/zinc/50/02/23/538500223.db2.gz TWHMSQPDUZQYBS-UHFFFAOYSA-N 0 0 232.302 3.658 10 0 BHAERN Cc1cc(-c2cn(C)nc2C(C)C)cnc1Cl ZINC000675070815 538500717 /nfs/dbraw/zinc/50/07/17/538500717.db2.gz SVADLYNGVVJLFH-UHFFFAOYSA-N 0 0 249.745 3.567 10 0 BHAERN Cc1cc(-c2ccc(C=O)s2)c(C)cc1C=O ZINC000675072213 538503741 /nfs/dbraw/zinc/50/37/41/538503741.db2.gz AQSMDCBYCKWRBL-UHFFFAOYSA-N 0 0 244.315 3.657 10 0 BHAERN Cc1cc(-c2cccc(C=O)c2)c(C)cc1C=O ZINC000675072216 538503611 /nfs/dbraw/zinc/50/36/11/538503611.db2.gz ATNXKTIUHVFWIR-UHFFFAOYSA-N 0 0 238.286 3.595 10 0 BHAERN Cc1cc(-c2cccc(F)c2)c(C)cc1C=O ZINC000675072261 538502429 /nfs/dbraw/zinc/50/24/29/538502429.db2.gz BNATUTQCWLHUIK-UHFFFAOYSA-N 0 0 228.266 3.922 10 0 BHAERN Cc1cc(-c2cnc(C3CC3)o2)c(C)cc1C=O ZINC000675072280 538502926 /nfs/dbraw/zinc/50/29/26/538502926.db2.gz BZIWEMGSACHPGZ-UHFFFAOYSA-N 0 0 241.290 3.648 10 0 BHAERN Cc1cc(-c2ccccc2F)c(C)cc1C=O ZINC000675072292 538502560 /nfs/dbraw/zinc/50/25/60/538502560.db2.gz CGJSWYFVCWQTMO-UHFFFAOYSA-N 0 0 228.266 3.922 10 0 BHAERN Cc1cc(-c2csc(C=O)c2)c(C)cc1C=O ZINC000675072355 538502918 /nfs/dbraw/zinc/50/29/18/538502918.db2.gz DOWCLJUUCLVSDJ-UHFFFAOYSA-N 0 0 244.315 3.657 10 0 BHAERN Cc1cc(-c2ccc(Cl)nc2)c(C)cc1C=O ZINC000675072470 538503601 /nfs/dbraw/zinc/50/36/01/538503601.db2.gz HKHLJYWZCRKWGI-UHFFFAOYSA-N 0 0 245.709 3.831 10 0 BHAERN CNc1cccc(-c2cc(C)c(C=O)cc2C)c1 ZINC000675072485 538503662 /nfs/dbraw/zinc/50/36/62/538503662.db2.gz HRKRFQDIZAIKSX-UHFFFAOYSA-N 0 0 239.318 3.825 10 0 BHAERN Cc1ncc(-c2cc(C)c(C=O)cc2C)s1 ZINC000675072588 538503667 /nfs/dbraw/zinc/50/36/67/538503667.db2.gz JUWCVNNCXVTMFG-UHFFFAOYSA-N 0 0 231.320 3.548 10 0 BHAERN Cc1cc(Cc2ccc(F)cc2)c(C)cc1C=O ZINC000675072701 538504220 /nfs/dbraw/zinc/50/42/20/538504220.db2.gz KDVIQDVANUXHPD-UHFFFAOYSA-N 0 0 242.293 3.846 10 0 BHAERN Cc1cc(-c2cccnc2Cl)c(C)cc1C=O ZINC000675072783 538504345 /nfs/dbraw/zinc/50/43/45/538504345.db2.gz LWNYQPHQCWBYIU-UHFFFAOYSA-N 0 0 245.709 3.831 10 0 BHAERN Cc1cc(-c2ccc(C=O)cc2)c(C)cc1C=O ZINC000675072790 538504475 /nfs/dbraw/zinc/50/44/75/538504475.db2.gz MHDGDGQLDYMKLY-UHFFFAOYSA-N 0 0 238.286 3.595 10 0 BHAERN Cc1cc(-c2ccc(N)cc2F)c(C)cc1C=O ZINC000675072861 538504235 /nfs/dbraw/zinc/50/42/35/538504235.db2.gz NVUQQZCRQXFSHC-UHFFFAOYSA-N 0 0 243.281 3.504 10 0 BHAERN Cc1cc(-c2cc(N)ccc2F)c(C)cc1C=O ZINC000675072896 538504487 /nfs/dbraw/zinc/50/44/87/538504487.db2.gz OTQUNTKREFOGFA-UHFFFAOYSA-N 0 0 243.281 3.504 10 0 BHAERN Cc1cc(-c2ccc(F)cc2)c(C)cc1C=O ZINC000675073105 538505388 /nfs/dbraw/zinc/50/53/88/538505388.db2.gz QYBZARSIVMICRK-UHFFFAOYSA-N 0 0 228.266 3.922 10 0 BHAERN CC(=O)c1cc2c(c(OC(C)C)c1)CCCC2 ZINC000675073117 538505208 /nfs/dbraw/zinc/50/52/08/538505208.db2.gz LLZUQYFKNHBRDS-UHFFFAOYSA-N 0 0 232.323 3.555 10 0 BHAERN Cc1cc(-c2ccncc2Cl)c(C)cc1C=O ZINC000675073127 538505197 /nfs/dbraw/zinc/50/51/97/538505197.db2.gz RKMJOMZUIBNCEV-UHFFFAOYSA-N 0 0 245.709 3.831 10 0 BHAERN Cc1cc(-c2ccccc2C=O)c(C)cc1C=O ZINC000675073397 538505963 /nfs/dbraw/zinc/50/59/63/538505963.db2.gz WCTBFLHNNMKEKI-UHFFFAOYSA-N 0 0 238.286 3.595 10 0 BHAERN Cc1cc(N2C[C@@H](C)C[C@H](C)C2)c(C)cc1C=O ZINC000675074796 538507479 /nfs/dbraw/zinc/50/74/79/538507479.db2.gz ARRZUZWIMVSFLN-RYUDHWBXSA-N 0 0 245.366 3.598 10 0 BHAERN Cc1cc(N2C[C@H](C)C[C@H](C)C2)c(C)cc1C=O ZINC000675074799 538507518 /nfs/dbraw/zinc/50/75/18/538507518.db2.gz ARRZUZWIMVSFLN-TXEJJXNPSA-N 0 0 245.366 3.598 10 0 BHAERN Cc1cc(N2C[C@H](C)C[C@@H](C)C2)c(C)cc1C=O ZINC000675074800 538507508 /nfs/dbraw/zinc/50/75/08/538507508.db2.gz ARRZUZWIMVSFLN-VXGBXAGGSA-N 0 0 245.366 3.598 10 0 BHAERN Cc1cc(N2CCC(C)(C)CC2)c(C)cc1C=O ZINC000675075262 538509181 /nfs/dbraw/zinc/50/91/81/538509181.db2.gz JQZKKYQBTUBUHG-UHFFFAOYSA-N 0 0 245.366 3.742 10 0 BHAERN CCN(CC(C)C)c1cc(C)c(C=O)cc1C ZINC000675075270 538508991 /nfs/dbraw/zinc/50/89/91/538508991.db2.gz KCUCWKSCPKLNMU-UHFFFAOYSA-N 0 0 233.355 3.598 10 0 BHAERN Cc1cc(N(C(C)C)C(C)C)c(C)cc1C=O ZINC000675075394 538508866 /nfs/dbraw/zinc/50/88/66/538508866.db2.gz NCQSGUOIXMOMNW-UHFFFAOYSA-N 0 0 233.355 3.739 10 0 BHAERN Cc1cc(N(C)C2CCCCC2)c(C)cc1C=O ZINC000675075538 538509596 /nfs/dbraw/zinc/50/95/96/538509596.db2.gz RNXKUNUTOKWHAM-UHFFFAOYSA-N 0 0 245.366 3.885 10 0 BHAERN Cc1cc(N2CCC[C@@H](C)[C@H]2C)c(C)cc1C=O ZINC000675075603 538509765 /nfs/dbraw/zinc/50/97/65/538509765.db2.gz SDWUIYAVXGHKJJ-BXUZGUMPSA-N 0 0 245.366 3.741 10 0 BHAERN Cc1cc(N2CCC[C@H](C)[C@@H]2C)c(C)cc1C=O ZINC000675075606 538509473 /nfs/dbraw/zinc/50/94/73/538509473.db2.gz SDWUIYAVXGHKJJ-FZMZJTMJSA-N 0 0 245.366 3.741 10 0 BHAERN Cc1cc(N2CCC[C@@H](C)[C@@H]2C)c(C)cc1C=O ZINC000675075607 538510059 /nfs/dbraw/zinc/51/00/59/538510059.db2.gz SDWUIYAVXGHKJJ-RISCZKNCSA-N 0 0 245.366 3.741 10 0 BHAERN Cc1cc(N2CCC[C@H](C)[C@H]2C)c(C)cc1C=O ZINC000675075608 538510030 /nfs/dbraw/zinc/51/00/30/538510030.db2.gz SDWUIYAVXGHKJJ-SMDDNHRTSA-N 0 0 245.366 3.741 10 0 BHAERN CCCN(CCC)c1cc(C)c(C=O)cc1C ZINC000675075613 538509488 /nfs/dbraw/zinc/50/94/88/538509488.db2.gz SFLFNWVRMPGVKI-UHFFFAOYSA-N 0 0 233.355 3.742 10 0 BHAERN CC(C)c1csc(-c2ccc(C=O)c(F)c2)n1 ZINC000675078844 538516301 /nfs/dbraw/zinc/51/63/01/538516301.db2.gz AFIUVELUZLYTPL-UHFFFAOYSA-N 0 0 249.310 3.885 10 0 BHAERN CC(C)c1csc(-c2ccc(N)cc2F)n1 ZINC000675078950 538517221 /nfs/dbraw/zinc/51/72/21/538517221.db2.gz CRKJGSMPBOEVQQ-UHFFFAOYSA-N 0 0 236.315 3.655 10 0 BHAERN CC(C)c1csc(-c2cc(N)ccc2F)n1 ZINC000675078956 538517135 /nfs/dbraw/zinc/51/71/35/538517135.db2.gz CTJSQOHNKOUVBT-UHFFFAOYSA-N 0 0 236.315 3.655 10 0 BHAERN CC(C)c1csc(-c2cccc(C=O)c2)n1 ZINC000675078957 538518029 /nfs/dbraw/zinc/51/80/29/538518029.db2.gz CTTNCZKMGZVEAU-UHFFFAOYSA-N 0 0 231.320 3.746 10 0 BHAERN Cc1cc2cc(C(=O)C(C)C)oc2cc1C ZINC000675080264 538519550 /nfs/dbraw/zinc/51/95/50/538519550.db2.gz BBFJCRRBPGEPRS-UHFFFAOYSA-N 0 0 216.280 3.888 10 0 BHAERN CC(C)c1csc(-c2ccc(C=O)s2)n1 ZINC000675080448 538520509 /nfs/dbraw/zinc/52/05/09/538520509.db2.gz QACCSCXFQVLRST-UHFFFAOYSA-N 0 0 237.349 3.808 10 0 BHAERN CC(C)c1csc(-c2ccc(C=O)cc2)n1 ZINC000675080474 538520433 /nfs/dbraw/zinc/52/04/33/538520433.db2.gz RKAXLYRQCAFXPM-UHFFFAOYSA-N 0 0 231.320 3.746 10 0 BHAERN CC(C)c1csc(-c2csc(C=O)c2)n1 ZINC000675080853 538520099 /nfs/dbraw/zinc/52/00/99/538520099.db2.gz WUSYIUWLGBHUSL-UHFFFAOYSA-N 0 0 237.349 3.808 10 0 BHAERN Cc1cccc2oc(C(=O)CC3CC3)cc21 ZINC000675081060 538520382 /nfs/dbraw/zinc/52/03/82/538520382.db2.gz DWWZOYJUHLRPGX-UHFFFAOYSA-N 0 0 214.264 3.724 10 0 BHAERN CC(C)(C)C(=O)c1cc2ccc(F)cc2o1 ZINC000675081122 538520604 /nfs/dbraw/zinc/52/06/04/538520604.db2.gz IBHGYHYSCHWSGI-UHFFFAOYSA-N 0 0 220.243 3.801 10 0 BHAERN CCCC(=O)c1cc2cc(F)c(F)cc2o1 ZINC000675081148 538521218 /nfs/dbraw/zinc/52/12/18/538521218.db2.gz JLLFPWHXUFXPLP-UHFFFAOYSA-N 0 0 224.206 3.694 10 0 BHAERN Cc1ccc2cc(C(=O)CC3CC3)oc2c1 ZINC000675081186 538522261 /nfs/dbraw/zinc/52/22/61/538522261.db2.gz KZYGVQSQUSYPMY-UHFFFAOYSA-N 0 0 214.264 3.724 10 0 BHAERN Cc1ccc2cc(C(=O)C(C)(C)C)oc2c1 ZINC000675081204 538522528 /nfs/dbraw/zinc/52/25/28/538522528.db2.gz LSGDHEHZCFMCQV-UHFFFAOYSA-N 0 0 216.280 3.970 10 0 BHAERN Cc1cccc2oc(C(=O)CC(C)C)cc21 ZINC000675081209 538522724 /nfs/dbraw/zinc/52/27/24/538522724.db2.gz LWSFXVUVRJLNGF-UHFFFAOYSA-N 0 0 216.280 3.970 10 0 BHAERN Cc1ccc2cc(C(=O)CC(C)C)oc2c1 ZINC000675081212 538522387 /nfs/dbraw/zinc/52/23/87/538522387.db2.gz MBXDHPYCWMEUHY-UHFFFAOYSA-N 0 0 216.280 3.970 10 0 BHAERN Cc1cccc2oc(C(=O)C(C)C)cc21 ZINC000675081213 538522702 /nfs/dbraw/zinc/52/27/02/538522702.db2.gz MGEORVPBFPKFEU-UHFFFAOYSA-N 0 0 202.253 3.580 10 0 BHAERN Cc1ccc2cc(C(=O)C(C)C)oc2c1 ZINC000675081268 538521444 /nfs/dbraw/zinc/52/14/44/538521444.db2.gz OUKHPEKCKAACSJ-UHFFFAOYSA-N 0 0 202.253 3.580 10 0 BHAERN CC[C@@H](C)C(=O)c1cc2ccc(F)cc2o1 ZINC000675081300 538521055 /nfs/dbraw/zinc/52/10/55/538521055.db2.gz PUFIAYQFGCFPAX-MRVPVSSYSA-N 0 0 220.243 3.801 10 0 BHAERN CC[C@H](C)C(=O)c1cc2ccc(F)cc2o1 ZINC000675081301 538521610 /nfs/dbraw/zinc/52/16/10/538521610.db2.gz PUFIAYQFGCFPAX-QMMMGPOBSA-N 0 0 220.243 3.801 10 0 BHAERN CC[C@@H](C)C(=O)c1cc2c(cccc2C)o1 ZINC000675081302 538521178 /nfs/dbraw/zinc/52/11/78/538521178.db2.gz PUHRGXAHKOXKSA-SECBINFHSA-N 0 0 216.280 3.970 10 0 BHAERN CC[C@H](C)C(=O)c1cc2c(cccc2C)o1 ZINC000675081303 538521225 /nfs/dbraw/zinc/52/12/25/538521225.db2.gz PUHRGXAHKOXKSA-VIFPVBQESA-N 0 0 216.280 3.970 10 0 BHAERN O=Cc1cncc(-c2cscc2C(F)F)c1 ZINC000675081486 538522710 /nfs/dbraw/zinc/52/27/10/538522710.db2.gz DZBGPDINSHQQKB-UHFFFAOYSA-N 0 0 239.246 3.560 10 0 BHAERN CC[C@H](C)C(=O)c1cc2ccc(C)cc2o1 ZINC000675081553 538522665 /nfs/dbraw/zinc/52/26/65/538522665.db2.gz SGKHTALBXGWBEB-JTQLQIEISA-N 0 0 216.280 3.970 10 0 BHAERN CC[C@@H](C)C(=O)c1cc2ccc(C)cc2o1 ZINC000675081554 538522232 /nfs/dbraw/zinc/52/22/32/538522232.db2.gz SGKHTALBXGWBEB-SNVBAGLBSA-N 0 0 216.280 3.970 10 0 BHAERN CC(C)C(=O)c1cc2cc(F)c(F)cc2o1 ZINC000675081564 538522750 /nfs/dbraw/zinc/52/27/50/538522750.db2.gz SWFWNFGDVLICEW-UHFFFAOYSA-N 0 0 224.206 3.550 10 0 BHAERN CCCC(=O)c1cc2ccc(F)cc2o1 ZINC000675081570 538522721 /nfs/dbraw/zinc/52/27/21/538522721.db2.gz TXLLHFANYHSNMD-UHFFFAOYSA-N 0 0 206.216 3.555 10 0 BHAERN CCCC(=O)c1cc2c(cccc2C)o1 ZINC000675081581 538522266 /nfs/dbraw/zinc/52/22/66/538522266.db2.gz UFEPYGVJODNFCV-UHFFFAOYSA-N 0 0 202.253 3.724 10 0 BHAERN CCCC(=O)c1cc2ccc(C)cc2o1 ZINC000675081860 538523019 /nfs/dbraw/zinc/52/30/19/538523019.db2.gz XLQKTELORWXTFP-UHFFFAOYSA-N 0 0 202.253 3.724 10 0 BHAERN O=C(CC1CC1)c1cc2ccc(F)cc2o1 ZINC000675081899 538523004 /nfs/dbraw/zinc/52/30/04/538523004.db2.gz YWCHWUNOZWMQNV-UHFFFAOYSA-N 0 0 218.227 3.555 10 0 BHAERN Cc1cccc2oc(C(=O)C(C)(C)C)cc21 ZINC000675081917 538522230 /nfs/dbraw/zinc/52/22/30/538522230.db2.gz ZPLVNGBYQVBCLC-UHFFFAOYSA-N 0 0 216.280 3.970 10 0 BHAERN CC(C)CC(=O)c1cc2ccc(F)cc2o1 ZINC000675081921 538522228 /nfs/dbraw/zinc/52/22/28/538522228.db2.gz ZQTYXACVABGQLN-UHFFFAOYSA-N 0 0 220.243 3.801 10 0 BHAERN CC(=O)c1sccc1-c1ccc(C)o1 ZINC000675082042 538522656 /nfs/dbraw/zinc/52/26/56/538522656.db2.gz CAAYZCNUDRNKBX-UHFFFAOYSA-N 0 0 206.266 3.519 10 0 BHAERN O=Cc1ccc(-c2cscc2C(F)F)o1 ZINC000675082219 538522979 /nfs/dbraw/zinc/52/29/79/538522979.db2.gz WZKVTGOIFWJSDZ-UHFFFAOYSA-N 0 0 228.219 3.758 10 0 BHAERN CC(=O)c1sccc1-c1ccsc1 ZINC000675082261 538523146 /nfs/dbraw/zinc/52/31/46/538523146.db2.gz GHORFGJRJGLGQE-UHFFFAOYSA-N 0 0 208.307 3.679 10 0 BHAERN O=Cc1csc(-c2cccc(Cl)c2)c1 ZINC000675082288 538523625 /nfs/dbraw/zinc/52/36/25/538523625.db2.gz HHBXNPQVZUGEBL-UHFFFAOYSA-N 0 0 222.696 3.881 10 0 BHAERN Brc1ccc(-c2ccsn2)cc1 ZINC000675082708 538524027 /nfs/dbraw/zinc/52/40/27/538524027.db2.gz YCJTTWAGQIUSOD-UHFFFAOYSA-N 0 0 240.125 3.573 10 0 BHAERN Cc1cscc1NCc1n[nH]c2ccccc12 ZINC000676644642 487886164 /nfs/dbraw/zinc/88/61/64/487886164.db2.gz XRJZINVPKVJVFU-UHFFFAOYSA-N 0 0 243.335 3.545 10 0 BHAERN CC(C)c1csc(-c2ccc3c(c2)CCN3)n1 ZINC000685945549 538887055 /nfs/dbraw/zinc/88/70/55/538887055.db2.gz AYOBFMNARORBIG-UHFFFAOYSA-N 0 0 244.363 3.902 10 0 BHAERN CC1(C)C=C(c2cccc(N)c2)CCC1 ZINC000685945717 538887173 /nfs/dbraw/zinc/88/71/73/538887173.db2.gz RUAIXAXRDFBLDQ-UHFFFAOYSA-N 0 0 201.313 3.862 10 0 BHAERN O=Cc1sccc1-c1cccc2occc21 ZINC000685946545 538885778 /nfs/dbraw/zinc/88/57/78/538885778.db2.gz AOXDIQWMMLBYFM-UHFFFAOYSA-N 0 0 228.272 3.974 10 0 BHAERN O=Cc1cc(-c2cccc3occc32)cs1 ZINC000685947147 538888773 /nfs/dbraw/zinc/88/87/73/538888773.db2.gz FCLRPNYFERXWSQ-UHFFFAOYSA-N 0 0 228.272 3.974 10 0 BHAERN FC(Br)=C1CCC(F)(F)CC1 ZINC000685947935 538889782 /nfs/dbraw/zinc/88/97/82/538889782.db2.gz UGCPLSKCNKJIFD-UHFFFAOYSA-N 0 0 229.039 3.772 10 0 BHAERN CCOc1ccc(-c2ccc(F)cc2)cc1 ZINC000685948522 538890845 /nfs/dbraw/zinc/89/08/45/538890845.db2.gz PTISPIRYZVICDG-UHFFFAOYSA-N 0 0 216.255 3.891 10 0 BHAERN CC[C@@H](C)C1N=NC(=S)N1C1CCCCC1 ZINC000685950107 538893556 /nfs/dbraw/zinc/89/35/56/538893556.db2.gz NGFGMBLCLAXCPQ-SECBINFHSA-N 0 0 239.388 3.586 10 0 BHAERN CC[C@H](C)C1N=NC(=S)N1C1CCCCC1 ZINC000685950108 538893620 /nfs/dbraw/zinc/89/36/20/538893620.db2.gz NGFGMBLCLAXCPQ-VIFPVBQESA-N 0 0 239.388 3.586 10 0 BHAERN COC(=O)c1coc2ccc(Cl)c(Cl)c12 ZINC000685951479 538895504 /nfs/dbraw/zinc/89/55/04/538895504.db2.gz AKSLGHPCBIKDAO-UHFFFAOYSA-N 0 0 245.061 3.526 10 0 BHAERN COC(=O)c1cc2c(ccc(Cl)c2Cl)o1 ZINC000685951888 644518806 /nfs/dbraw/zinc/51/88/06/644518806.db2.gz LCWBNKDXWNKICA-UHFFFAOYSA-N 0 0 245.061 3.526 10 0 BHAERN COC(=O)c1cc2c(o1)c(Cl)ccc2Cl ZINC000685952165 538896471 /nfs/dbraw/zinc/89/64/71/538896471.db2.gz YDVSYDULXDGMAW-UHFFFAOYSA-N 0 0 245.061 3.526 10 0 BHAERN COC(=O)c1coc2c1c(Cl)ccc2Cl ZINC000685952176 538896442 /nfs/dbraw/zinc/89/64/42/538896442.db2.gz ZABNPAYBECBVEV-UHFFFAOYSA-N 0 0 245.061 3.526 10 0 BHAERN CCC[C@@H]1CCc2[nH]nc(CC(C)C)c2C1 ZINC000685952363 538896431 /nfs/dbraw/zinc/89/64/31/538896431.db2.gz HYIYTWNBGATCJS-LLVKDONJSA-N 0 0 220.360 3.513 10 0 BHAERN CCC[C@H]1CCc2[nH]nc(CC(C)C)c2C1 ZINC000685952364 538896399 /nfs/dbraw/zinc/89/63/99/538896399.db2.gz HYIYTWNBGATCJS-NSHDSACASA-N 0 0 220.360 3.513 10 0 BHAERN COC(C)(C)C[C@@H](C)CNc1ccccc1 ZINC000685960761 538908093 /nfs/dbraw/zinc/90/80/93/538908093.db2.gz BLEXRONOLKXKSA-GFCCVEGCSA-N 0 0 221.344 3.550 10 0 BHAERN COC(C)(C)C[C@H](C)CNc1ccccc1 ZINC000685960762 538908257 /nfs/dbraw/zinc/90/82/57/538908257.db2.gz BLEXRONOLKXKSA-LBPRGKRZSA-N 0 0 221.344 3.550 10 0 BHAERN COCCC1(CNc2ccsc2)CCCC1 ZINC000685960814 538907543 /nfs/dbraw/zinc/90/75/43/538907543.db2.gz DFVPCOTUOYNQTJ-UHFFFAOYSA-N 0 0 239.384 3.757 10 0 BHAERN COC(C)(C)C[C@H](C)CNc1ccsc1 ZINC000685961762 538908467 /nfs/dbraw/zinc/90/84/67/538908467.db2.gz WBPYKXLSKJUQIL-JTQLQIEISA-N 0 0 227.373 3.611 10 0 BHAERN COC(C)(C)C[C@@H](C)CNc1ccsc1 ZINC000685961763 538908806 /nfs/dbraw/zinc/90/88/06/538908806.db2.gz WBPYKXLSKJUQIL-SNVBAGLBSA-N 0 0 227.373 3.611 10 0 BHAERN CCC[C@H](CCCNc1ccsc1)OC ZINC000685961822 538908745 /nfs/dbraw/zinc/90/87/45/538908745.db2.gz WRADELSIWLQWBB-GFCCVEGCSA-N 0 0 227.373 3.755 10 0 BHAERN CCC[C@@H](CCCNc1ccsc1)OC ZINC000685961825 538908516 /nfs/dbraw/zinc/90/85/16/538908516.db2.gz WRADELSIWLQWBB-LBPRGKRZSA-N 0 0 227.373 3.755 10 0 BHAERN CCC[C@@H](CCCNc1ccccc1)OC ZINC000685961884 538909113 /nfs/dbraw/zinc/90/91/13/538909113.db2.gz XIINIEKUYIAUGX-AWEZNQCLSA-N 0 0 221.344 3.694 10 0 BHAERN CCC[C@H](CCCNc1ccccc1)OC ZINC000685961885 538909090 /nfs/dbraw/zinc/90/90/90/538909090.db2.gz XIINIEKUYIAUGX-CQSZACIVSA-N 0 0 221.344 3.694 10 0 BHAERN COCCC1(CCNc2ccsc2)CCC1 ZINC000685961958 538908972 /nfs/dbraw/zinc/90/89/72/538908972.db2.gz ZOMGOYOARWDZMM-UHFFFAOYSA-N 0 0 239.384 3.757 10 0 BHAERN Oc1cc2ccccc2nc1C1CCCC1 ZINC000685962915 538909559 /nfs/dbraw/zinc/90/95/59/538909559.db2.gz ABSJMRLGAYYTQY-UHFFFAOYSA-N 0 0 213.280 3.598 10 0 BHAERN CCCc1nc2ccc(Cl)cc2cc1O ZINC000685962920 538909720 /nfs/dbraw/zinc/90/97/20/538909720.db2.gz AEDAWYHTELTXSA-UHFFFAOYSA-N 0 0 221.687 3.546 10 0 BHAERN CC(C)(C)Cc1nc2ccccc2cc1O ZINC000685962937 538909609 /nfs/dbraw/zinc/90/96/09/538909609.db2.gz AWDHBCLPWOLKBP-UHFFFAOYSA-N 0 0 215.296 3.529 10 0 BHAERN CC[C@@H](C)c1nc2ccc(F)cc2cc1O ZINC000685962944 538909742 /nfs/dbraw/zinc/90/97/42/538909742.db2.gz BFGMJYBNSAZJNK-MRVPVSSYSA-N 0 0 219.259 3.593 10 0 BHAERN CC[C@H](C)c1nc2ccc(F)cc2cc1O ZINC000685962945 538909791 /nfs/dbraw/zinc/90/97/91/538909791.db2.gz BFGMJYBNSAZJNK-QMMMGPOBSA-N 0 0 219.259 3.593 10 0 BHAERN CCc1cccc2cc(O)c(C(C)C)nc21 ZINC000685962993 538909676 /nfs/dbraw/zinc/90/96/76/538909676.db2.gz CVROQADUOSHSCG-UHFFFAOYSA-N 0 0 215.296 3.626 10 0 BHAERN CCCc1nc2c(Cl)cccc2cc1O ZINC000685963019 538909709 /nfs/dbraw/zinc/90/97/09/538909709.db2.gz DJXDQADWWGVLSV-UHFFFAOYSA-N 0 0 221.687 3.546 10 0 BHAERN CC(C)(C)c1nc2cccc(Cl)c2cc1O ZINC000685963032 538909602 /nfs/dbraw/zinc/90/96/02/538909602.db2.gz FEFKLLDOSJZPBJ-UHFFFAOYSA-N 0 0 235.714 3.891 10 0 BHAERN Oc1cc2c(Cl)cccc2nc1CC1CC1 ZINC000685963064 538910118 /nfs/dbraw/zinc/91/01/18/538910118.db2.gz FYXANRCKSXVWGX-UHFFFAOYSA-N 0 0 233.698 3.546 10 0 BHAERN Oc1cc2ccc(Cl)cc2nc1C(F)F ZINC000685963120 538910038 /nfs/dbraw/zinc/91/00/38/538910038.db2.gz GVJNQPDGDDOGNG-UHFFFAOYSA-N 0 0 229.613 3.531 10 0 BHAERN CC[C@H](C)c1nc2ccc(C)cc2cc1O ZINC000685963124 538910110 /nfs/dbraw/zinc/91/01/10/538910110.db2.gz HCPHWROMLRLDGC-JTQLQIEISA-N 0 0 215.296 3.762 10 0 BHAERN CC[C@@H](C)c1nc2ccc(C)cc2cc1O ZINC000685963125 538910215 /nfs/dbraw/zinc/91/02/15/538910215.db2.gz HCPHWROMLRLDGC-SNVBAGLBSA-N 0 0 215.296 3.762 10 0 BHAERN CC(C)(C)c1nc2cc(Cl)ccc2cc1O ZINC000685963127 538910042 /nfs/dbraw/zinc/91/00/42/538910042.db2.gz HFBMVOOZOHICGD-UHFFFAOYSA-N 0 0 235.714 3.891 10 0 BHAERN Oc1cc2c(Cl)cccc2nc1C(F)(F)F ZINC000685963128 538910177 /nfs/dbraw/zinc/91/01/77/538910177.db2.gz HFWQQBAFXSPIMV-UHFFFAOYSA-N 0 0 247.603 3.613 10 0 BHAERN Oc1cc2cc(Cl)ccc2nc1CC1CC1 ZINC000685963129 537945724 /nfs/dbraw/zinc/94/57/24/537945724.db2.gz HGSVKLZZVATAFO-UHFFFAOYSA-N 0 0 233.698 3.546 10 0 BHAERN CC(C)(C)c1nc2ccc(Cl)cc2cc1O ZINC000685963141 538910002 /nfs/dbraw/zinc/91/00/02/538910002.db2.gz HLZQANUMAFVGHF-UHFFFAOYSA-N 0 0 235.714 3.891 10 0 BHAERN Oc1cc2ccc(Cl)cc2nc1C1CCC1 ZINC000685963148 538910219 /nfs/dbraw/zinc/91/02/19/538910219.db2.gz HRZLQVJZEJPQBJ-UHFFFAOYSA-N 0 0 233.698 3.861 10 0 BHAERN Cc1nc2ccc(C(C)(C)C)cc2cc1O ZINC000685963177 538910114 /nfs/dbraw/zinc/91/01/14/538910114.db2.gz IITBLFYFTHJDLO-UHFFFAOYSA-N 0 0 215.296 3.546 10 0 BHAERN CCCc1nc2cc(Cl)ccc2cc1O ZINC000685963213 538910224 /nfs/dbraw/zinc/91/02/24/538910224.db2.gz JOWHEDUGDKZZQZ-UHFFFAOYSA-N 0 0 221.687 3.546 10 0 BHAERN CC(C)c1nc2cc(Cl)ccc2cc1O ZINC000685963216 537945921 /nfs/dbraw/zinc/94/59/21/537945921.db2.gz JPOBZPYNDZKKPQ-UHFFFAOYSA-N 0 0 221.687 3.717 10 0 BHAERN CC[C@@H](C)c1nc2cc(F)ccc2cc1O ZINC000685963217 538910017 /nfs/dbraw/zinc/91/00/17/538910017.db2.gz JPRLJGXZGWZQPH-MRVPVSSYSA-N 0 0 219.259 3.593 10 0 BHAERN CC[C@H](C)c1nc2cc(F)ccc2cc1O ZINC000685963218 538910083 /nfs/dbraw/zinc/91/00/83/538910083.db2.gz JPRLJGXZGWZQPH-QMMMGPOBSA-N 0 0 219.259 3.593 10 0 BHAERN Oc1cc2ccc(Cl)cc2nc1CC1CC1 ZINC000685963261 538908436 /nfs/dbraw/zinc/90/84/36/538908436.db2.gz KHVLXBPGLLQILB-UHFFFAOYSA-N 0 0 233.698 3.546 10 0 BHAERN CC[C@@H](C)c1nc2c(F)cccc2cc1O ZINC000685963320 538912440 /nfs/dbraw/zinc/91/24/40/538912440.db2.gz LXCLHTAGNVXVDM-MRVPVSSYSA-N 0 0 219.259 3.593 10 0 BHAERN CC[C@H](C)c1nc2c(F)cccc2cc1O ZINC000685963321 538912631 /nfs/dbraw/zinc/91/26/31/538912631.db2.gz LXCLHTAGNVXVDM-QMMMGPOBSA-N 0 0 219.259 3.593 10 0 BHAERN Cc1cccc2cc(O)c(C(C)(C)C)nc12 ZINC000685963343 538912198 /nfs/dbraw/zinc/91/21/98/538912198.db2.gz MIPDBRRVNRPGAS-UHFFFAOYSA-N 0 0 215.296 3.546 10 0 BHAERN Oc1cc2cccc(Cl)c2nc1C(F)F ZINC000685963420 538912974 /nfs/dbraw/zinc/91/29/74/538912974.db2.gz NYJQKPQERALGJV-UHFFFAOYSA-N 0 0 229.613 3.531 10 0 BHAERN Cc1cccc2cc(O)c(C3CCC3)nc12 ZINC000685963421 538913084 /nfs/dbraw/zinc/91/30/84/538913084.db2.gz NYLDVXLWXWIXFC-UHFFFAOYSA-N 0 0 213.280 3.516 10 0 BHAERN CCC(C)(C)c1nc2ccccc2cc1O ZINC000685963434 538913058 /nfs/dbraw/zinc/91/30/58/538913058.db2.gz OGSRQIRTTVFGHG-UHFFFAOYSA-N 0 0 215.296 3.628 10 0 BHAERN Oc1cc2cccc(Cl)c2nc1C1CCC1 ZINC000685963462 538910036 /nfs/dbraw/zinc/91/00/36/538910036.db2.gz OYKVJCLEFJIGJD-UHFFFAOYSA-N 0 0 233.698 3.861 10 0 BHAERN CCc1ccc2nc(C(C)C)c(O)cc2c1 ZINC000685963492 538910119 /nfs/dbraw/zinc/91/01/19/538910119.db2.gz QCNZXJQBWMMKEQ-UHFFFAOYSA-N 0 0 215.296 3.626 10 0 BHAERN Oc1cc2cc(Cl)ccc2nc1C(F)(F)F ZINC000685963500 538910027 /nfs/dbraw/zinc/91/00/27/538910027.db2.gz QKEFJVPFBBVUIC-UHFFFAOYSA-N 0 0 247.603 3.613 10 0 BHAERN Oc1cc2c(Cl)cccc2nc1C(F)F ZINC000685963511 538910155 /nfs/dbraw/zinc/91/01/55/538910155.db2.gz QVHAZZALPMFCMP-UHFFFAOYSA-N 0 0 229.613 3.531 10 0 BHAERN CC[C@@H](C)c1nc2c(C)cccc2cc1O ZINC000685963593 538910363 /nfs/dbraw/zinc/91/03/63/538910363.db2.gz TWJYSRASZJQIFP-SECBINFHSA-N 0 0 215.296 3.762 10 0 BHAERN CC[C@H](C)c1nc2c(C)cccc2cc1O ZINC000685963594 538910450 /nfs/dbraw/zinc/91/04/50/538910450.db2.gz TWJYSRASZJQIFP-VIFPVBQESA-N 0 0 215.296 3.762 10 0 BHAERN Oc1cc2cccc(Cl)c2nc1CC1CC1 ZINC000685963597 538910537 /nfs/dbraw/zinc/91/05/37/538910537.db2.gz TYNIFFFHPWPROI-UHFFFAOYSA-N 0 0 233.698 3.546 10 0 BHAERN CC(C)c1nc2cccc(Cl)c2cc1O ZINC000685963625 538910672 /nfs/dbraw/zinc/91/06/72/538910672.db2.gz UFFQFCQIWZCSIW-UHFFFAOYSA-N 0 0 221.687 3.717 10 0 BHAERN CCCc1nc2cccc(Cl)c2cc1O ZINC000685963663 538910404 /nfs/dbraw/zinc/91/04/04/538910404.db2.gz VJXFKVBWOZNBEU-UHFFFAOYSA-N 0 0 221.687 3.546 10 0 BHAERN Oc1cc2cccc(Cl)c2nc1C(F)(F)F ZINC000685963693 538910607 /nfs/dbraw/zinc/91/06/07/538910607.db2.gz VTEDVOUMANGKCD-UHFFFAOYSA-N 0 0 247.603 3.613 10 0 BHAERN CC1=CCC[C@H](C)[C@H]1/C=C/Br ZINC000685963755 538910639 /nfs/dbraw/zinc/91/06/39/538910639.db2.gz DNRREIKKUNSFLJ-CAFLDADYSA-N 0 0 215.134 3.887 10 0 BHAERN CC1=CCC[C@H](C)[C@@H]1/C=C/Br ZINC000685963756 537945806 /nfs/dbraw/zinc/94/58/06/537945806.db2.gz DNRREIKKUNSFLJ-LOSXEJPUSA-N 0 0 215.134 3.887 10 0 BHAERN CC1=CCC[C@@H](C)[C@@H]1/C=C/Br ZINC000685963757 538910411 /nfs/dbraw/zinc/91/04/11/538910411.db2.gz DNRREIKKUNSFLJ-UHHSMLKOSA-N 0 0 215.134 3.887 10 0 BHAERN CC1=CCC[C@@H](C)[C@H]1/C=C/Br ZINC000685963758 538910398 /nfs/dbraw/zinc/91/03/98/538910398.db2.gz DNRREIKKUNSFLJ-YJOJJWFDSA-N 0 0 215.134 3.887 10 0 BHAERN Oc1cc2ccc(Cl)cc2nc1C(F)(F)F ZINC000685963788 566487754 /nfs/dbraw/zinc/48/77/54/566487754.db2.gz WVTHBSKYBPASNC-UHFFFAOYSA-N 0 0 247.603 3.613 10 0 BHAERN CC(C)c1nc2ccc(Cl)cc2cc1O ZINC000685963802 566487835 /nfs/dbraw/zinc/48/78/35/566487835.db2.gz XGFQUUKSUMCDFS-UHFFFAOYSA-N 0 0 221.687 3.717 10 0 BHAERN Cc1ccc2nc(C3CCC3)c(O)cc2c1 ZINC000685963824 538910692 /nfs/dbraw/zinc/91/06/92/538910692.db2.gz XVHGMSFYPOJNKY-UHFFFAOYSA-N 0 0 213.280 3.516 10 0 BHAERN Oc1cc2cc(Cl)ccc2nc1C1CCC1 ZINC000685963848 538910785 /nfs/dbraw/zinc/91/07/85/538910785.db2.gz YLMNFVRKVUMULM-UHFFFAOYSA-N 0 0 233.698 3.861 10 0 BHAERN Cc1ccc2nc(C(C)(C)C)c(O)cc2c1 ZINC000685963866 538910752 /nfs/dbraw/zinc/91/07/52/538910752.db2.gz YSGJSZUXCTVBNG-UHFFFAOYSA-N 0 0 215.296 3.546 10 0 BHAERN CC(C)(C)c1nc2c(Cl)cccc2cc1O ZINC000685963872 538910868 /nfs/dbraw/zinc/91/08/68/538910868.db2.gz YVWUFXDYHVSMON-UHFFFAOYSA-N 0 0 235.714 3.891 10 0 BHAERN CC(C)c1nc2c(Cl)cccc2cc1O ZINC000685963884 538910882 /nfs/dbraw/zinc/91/08/82/538910882.db2.gz ZCZFJYANXQURJJ-UHFFFAOYSA-N 0 0 221.687 3.717 10 0 BHAERN FC(F)Oc1ccccc1/C=C/Br ZINC000685963898 538910822 /nfs/dbraw/zinc/91/08/22/538910822.db2.gz IDXYSRWNCQLCDZ-AATRIKPKSA-N 0 0 249.054 3.654 10 0 BHAERN Oc1cc2c(Cl)cccc2nc1C1CCC1 ZINC000685963909 538910873 /nfs/dbraw/zinc/91/08/73/538910873.db2.gz ZJLFLEUELWDOBI-UHFFFAOYSA-N 0 0 233.698 3.861 10 0 BHAERN Oc1cc2cc(Cl)ccc2nc1C(F)F ZINC000685963934 538910765 /nfs/dbraw/zinc/91/07/65/538910765.db2.gz ZSUMARIJDFMQMZ-UHFFFAOYSA-N 0 0 229.613 3.531 10 0 BHAERN CC(C)Oc1ccccc1/C=C/Br ZINC000685964036 541498118 /nfs/dbraw/zinc/49/81/18/541498118.db2.gz QMTRTJHRUNTHDB-BQYQJAHWSA-N 0 0 241.128 3.839 10 0 BHAERN CC1=C[C@@H](C)C[C@@H](/C=C/Br)C1 ZINC000685964043 541498052 /nfs/dbraw/zinc/49/80/52/541498052.db2.gz RLFYSIFNLVCMIK-KHSHYHJCSA-N 0 0 215.134 3.887 10 0 BHAERN CC1=C[C@H](C)C[C@@H](/C=C/Br)C1 ZINC000685964044 541498160 /nfs/dbraw/zinc/49/81/60/541498160.db2.gz RLFYSIFNLVCMIK-KVCPUQMLSA-N 0 0 215.134 3.887 10 0 BHAERN CC1=C[C@H](C)C[C@H](/C=C/Br)C1 ZINC000685964045 541498060 /nfs/dbraw/zinc/49/80/60/541498060.db2.gz RLFYSIFNLVCMIK-PVXSWLFQSA-N 0 0 215.134 3.887 10 0 BHAERN CC1=C[C@@H](C)C[C@H](/C=C/Br)C1 ZINC000685964046 541498012 /nfs/dbraw/zinc/49/80/12/541498012.db2.gz RLFYSIFNLVCMIK-ZFZAZDQESA-N 0 0 215.134 3.887 10 0 BHAERN CC(C)(C)c1ncc(/C=C/Br)s1 ZINC000685964051 541498003 /nfs/dbraw/zinc/49/80/03/541498003.db2.gz RWRRVIGQUMPPMJ-SNAWJCMRSA-N 0 0 246.173 3.806 10 0 BHAERN FC(F)Oc1cccc(/C=C/Br)c1 ZINC000685964077 541498139 /nfs/dbraw/zinc/49/81/39/541498139.db2.gz UCVDXWPUPZWJKY-SNAWJCMRSA-N 0 0 249.054 3.654 10 0 BHAERN COc1ccc([C@H](C)/C=C/Br)cc1 ZINC000685964455 644519294 /nfs/dbraw/zinc/51/92/94/644519294.db2.gz HZCGPDMDFZBPRT-FCZSHJHJSA-N 0 0 241.128 3.707 10 0 BHAERN COc1ccc([C@@H](C)/C=C/Br)cc1 ZINC000685964456 644519311 /nfs/dbraw/zinc/51/93/11/644519311.db2.gz HZCGPDMDFZBPRT-FLOXNTQESA-N 0 0 241.128 3.707 10 0 BHAERN C[C@H]1CCCC[C@@H]1/C=C/Br ZINC000685964485 537945568 /nfs/dbraw/zinc/94/55/68/537945568.db2.gz JCJKHAOYDASJOR-PUCWJLDJSA-N 0 0 203.123 3.721 10 0 BHAERN CC(C)c1ncc(/C=C/Br)s1 ZINC000685964617 541498209 /nfs/dbraw/zinc/49/82/09/541498209.db2.gz PUKNGFOUOUMVTR-ONEGZZNKSA-N 0 0 232.146 3.632 10 0 BHAERN C[C@H](/C=C/Br)c1ccc(F)cc1 ZINC000685964675 566488180 /nfs/dbraw/zinc/48/81/80/566488180.db2.gz RTAYXNUBUCJOSS-HYDMIIDASA-N 0 0 229.092 3.838 10 0 BHAERN C=C(OCC)c1ccc(C(C)=O)c(Cl)c1 ZINC000685964986 538911420 /nfs/dbraw/zinc/91/14/20/538911420.db2.gz JOZREYKPRGRQLK-UHFFFAOYSA-N 0 0 224.687 3.550 10 0 BHAERN COC(C)(C)c1ccc(-c2ccc(C=O)o2)cc1 ZINC000700539858 711996695 /nfs/dbraw/zinc/99/66/95/711996695.db2.gz WAOWNIWVFYEPIX-UHFFFAOYSA-N 0 0 244.290 3.641 10 0 BHAERN O=Cc1ccc(-c2csc(C(F)(F)F)c2)o1 ZINC000705505237 712132258 /nfs/dbraw/zinc/13/22/58/712132258.db2.gz IFVCDBPOXJTQGR-UHFFFAOYSA-N 0 0 246.209 3.839 10 0 BHAERN CSC1CC(Nc2nccc3ccccc32)C1 ZINC000708270577 712184488 /nfs/dbraw/zinc/18/44/88/712184488.db2.gz UVUBLZCGJIESPU-UHFFFAOYSA-N 0 0 244.363 3.541 10 0 BHAERN CC(C)(C)n1cc(-c2ccc(N)cc2Cl)cn1 ZINC000714265271 712481402 /nfs/dbraw/zinc/48/14/02/712481402.db2.gz SLYZUDFOJFNEMZ-UHFFFAOYSA-N 0 0 249.745 3.541 10 0 BHAERN CC(=O)c1ccc(-c2cnn(C(C)(C)C)c2)cc1 ZINC000714290894 712481698 /nfs/dbraw/zinc/48/16/98/712481698.db2.gz PSBPLEJFWGUKDM-UHFFFAOYSA-N 0 0 242.322 3.508 10 0 BHAERN CC(C)(C)n1cc(-c2cccc(N)c2Cl)cn1 ZINC000714302265 712481804 /nfs/dbraw/zinc/48/18/04/712481804.db2.gz NSBIBHWFRSAQSA-UHFFFAOYSA-N 0 0 249.745 3.541 10 0 BHAERN Cc1nc(N)ccc1-c1ccc(C2CC2)s1 ZINC000716587373 712564558 /nfs/dbraw/zinc/56/45/58/712564558.db2.gz NBXVKRGPVFZHEE-UHFFFAOYSA-N 0 0 230.336 3.578 10 0 BHAERN Cc1coc(CNc2cscc2C)c1 ZINC000718065248 712741366 /nfs/dbraw/zinc/74/13/66/712741366.db2.gz CCMKXXNEXPXLTK-UHFFFAOYSA-N 0 0 207.298 3.570 10 0 BHAERN C[C@H](O)c1cccc(OCCCC(C)(F)F)c1 ZINC000718640062 712776068 /nfs/dbraw/zinc/77/60/68/712776068.db2.gz VITFDDIVWBLESZ-JTQLQIEISA-N 0 0 244.281 3.554 10 0 BHAERN C[C@@H](O)c1cccc(OCCCC(C)(F)F)c1 ZINC000718640063 712776241 /nfs/dbraw/zinc/77/62/41/712776241.db2.gz VITFDDIVWBLESZ-SNVBAGLBSA-N 0 0 244.281 3.554 10 0 BHAERN CC(C)C(C)(C)CSCCC1OCCCO1 ZINC000718761860 712781577 /nfs/dbraw/zinc/78/15/77/712781577.db2.gz KLQOZYPDMWBSBY-UHFFFAOYSA-N 0 0 246.416 3.555 10 0 BHAERN C[C@@H]1Cc2cc(-c3ccc(C=O)s3)ccc2O1 ZINC000720093012 712828101 /nfs/dbraw/zinc/82/81/01/712828101.db2.gz IORMZLWIPKGTHK-SECBINFHSA-N 0 0 244.315 3.551 10 0 BHAERN C[C@H]1Cc2cc(-c3ccc(C=O)s3)ccc2O1 ZINC000720093022 712828188 /nfs/dbraw/zinc/82/81/88/712828188.db2.gz IORMZLWIPKGTHK-VIFPVBQESA-N 0 0 244.315 3.551 10 0 BHAERN CSc1ccccc1-c1ccc(C=O)s1 ZINC000722386027 711752932 /nfs/dbraw/zinc/75/29/32/711752932.db2.gz SMKILIJFGNOATB-UHFFFAOYSA-N 0 0 234.345 3.950 10 0 BHAERN CCCc1ccc(-c2cncc(N)c2C)cc1 ZINC000722753397 537930094 /nfs/dbraw/zinc/93/00/94/537930094.db2.gz ZRZDPFPECAJAAH-UHFFFAOYSA-N 0 0 226.323 3.592 10 0 BHAERN C[C@@H](O)c1cccc(OCC2CC(C)(C)C2)c1 ZINC000723540668 711516284 /nfs/dbraw/zinc/51/62/84/711516284.db2.gz VQPZZEGSCLZEDV-LLVKDONJSA-N 0 0 234.339 3.555 10 0 BHAERN C[C@H](O)c1cccc(OCC2CC(C)(C)C2)c1 ZINC000723540669 711516048 /nfs/dbraw/zinc/51/60/48/711516048.db2.gz VQPZZEGSCLZEDV-NSHDSACASA-N 0 0 234.339 3.555 10 0 BHAERN CNc1cccc(-c2cc(Cl)cnc2F)c1 ZINC000725241206 537978021 /nfs/dbraw/zinc/97/80/21/537978021.db2.gz BUQAEHWHSZUSHM-UHFFFAOYSA-N 0 0 236.677 3.583 10 0 BHAERN Fc1cc(F)cc(-c2cc(Cl)cnc2F)c1 ZINC000725241245 537977559 /nfs/dbraw/zinc/97/75/59/537977559.db2.gz GJPQPRWJHCFMST-UHFFFAOYSA-N 0 0 243.615 3.819 10 0 BHAERN Fc1ccc(-c2cc(Cl)cnc2F)c(F)c1 ZINC000725241289 537979222 /nfs/dbraw/zinc/97/92/22/537979222.db2.gz JHFSOCIVTLWDQY-UHFFFAOYSA-N 0 0 243.615 3.819 10 0 BHAERN Fc1ncc(Cl)cc1-c1cccnc1Cl ZINC000725241309 537979554 /nfs/dbraw/zinc/97/95/54/537979554.db2.gz JVNKQKWQQJRHPW-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Cc1cc(-c2cc(Cl)cnc2F)ccc1F ZINC000725241342 537978958 /nfs/dbraw/zinc/97/89/58/537978958.db2.gz MUZUZGNWJBXZKQ-UHFFFAOYSA-N 0 0 239.652 3.989 10 0 BHAERN Fc1ncc(Cl)cc1-c1ccc(Cl)nc1 ZINC000725241354 537979108 /nfs/dbraw/zinc/97/91/08/537979108.db2.gz OKRZEJYXGRFLLG-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Fc1ccc(-c2cc(Cl)cnc2F)cc1F ZINC000725241403 537978657 /nfs/dbraw/zinc/97/86/57/537978657.db2.gz PMKLFBKKRATIQK-UHFFFAOYSA-N 0 0 243.615 3.819 10 0 BHAERN Fc1ncc(Cl)cc1-c1cnc(Cl)s1 ZINC000725241433 537978721 /nfs/dbraw/zinc/97/87/21/537978721.db2.gz QQVWWFLVLMZSRL-UHFFFAOYSA-N 0 0 249.097 3.651 10 0 BHAERN Fc1ncc(Cl)cc1-c1ccncc1Cl ZINC000725241498 541329759 /nfs/dbraw/zinc/32/97/59/541329759.db2.gz VICWMSUZRXFGED-UHFFFAOYSA-N 0 0 243.068 3.590 10 0 BHAERN Cc1ccc(F)cc1-c1cc(Cl)cnc1F ZINC000725241521 541329841 /nfs/dbraw/zinc/32/98/41/541329841.db2.gz WCZCPHXQALNAGM-UHFFFAOYSA-N 0 0 239.652 3.989 10 0 BHAERN Cc1cc(F)ccc1-c1cc(Cl)cnc1F ZINC000725241563 541329716 /nfs/dbraw/zinc/32/97/16/541329716.db2.gz YHUYWNLZQXMQSK-UHFFFAOYSA-N 0 0 239.652 3.989 10 0 BHAERN Cc1ccc(-c2cc(Cl)cnc2F)cc1F ZINC000725241572 541329923 /nfs/dbraw/zinc/32/99/23/541329923.db2.gz ZKBSJSMTAQPVQP-UHFFFAOYSA-N 0 0 239.652 3.989 10 0 BHAERN CC(C)(C)c1cc2nc(C3CC3)nn2c(Cl)c1 ZINC000725242938 537988673 /nfs/dbraw/zinc/98/86/73/537988673.db2.gz BKHSJWFHDUXJCH-UHFFFAOYSA-N 0 0 249.745 3.558 10 0 BHAERN Cc1cc2nc(C3CCCCC3)nn2c(Cl)c1 ZINC000725242953 537989693 /nfs/dbraw/zinc/98/96/93/537989693.db2.gz CHQQUYXJUOYRDR-UHFFFAOYSA-N 0 0 249.745 3.739 10 0 BHAERN Cc1cc(NCC(F)(F)F)ccc1Cl ZINC000725242965 537989749 /nfs/dbraw/zinc/98/97/49/537989749.db2.gz CRBQXEFQRDHGEH-UHFFFAOYSA-N 0 0 223.625 3.623 10 0 BHAERN CCc1c(C)cc2nc(C3CCC3)nn2c1Cl ZINC000725243201 537991912 /nfs/dbraw/zinc/99/19/12/537991912.db2.gz PJRONYMMOSUQBC-UHFFFAOYSA-N 0 0 249.745 3.521 10 0 BHAERN CCC(CC)c1nc2cc(C)cc(Cl)n2n1 ZINC000725243331 537991568 /nfs/dbraw/zinc/99/15/68/537991568.db2.gz XPUUPGRTJNQHIG-UHFFFAOYSA-N 0 0 237.734 3.595 10 0 BHAERN Fc1c(Br)cccc1-c1ccoc1 ZINC000725244247 537996658 /nfs/dbraw/zinc/99/66/58/537996658.db2.gz KZGWUSBGRROKGP-UHFFFAOYSA-N 0 0 241.059 3.848 10 0 BHAERN Cc1ncc(CSCC[Si](C)(C)C)o1 ZINC000725244744 537998719 /nfs/dbraw/zinc/99/87/19/537998719.db2.gz AQBKENUMWZVZMM-UHFFFAOYSA-N 0 0 229.421 3.554 10 0 BHAERN CC[C@@H](C)c1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725244910 538000942 /nfs/dbraw/zinc/00/09/42/538000942.db2.gz BOSUENABOOBMAA-MRVPVSSYSA-N 0 0 249.745 3.774 10 0 BHAERN CC[C@H](C)c1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725244911 538000498 /nfs/dbraw/zinc/00/04/98/538000498.db2.gz BOSUENABOOBMAA-QMMMGPOBSA-N 0 0 249.745 3.774 10 0 BHAERN Cc1cnc(CSCC[Si](C)(C)C)o1 ZINC000725245134 538000755 /nfs/dbraw/zinc/00/07/55/538000755.db2.gz FGOFDWRDTCEQNK-UHFFFAOYSA-N 0 0 229.421 3.554 10 0 BHAERN CC[C@@H](C)c1nc2cc(C)c(C)c(Cl)n2n1 ZINC000725245368 538000711 /nfs/dbraw/zinc/00/07/11/538000711.db2.gz CGVIYAITDWQWMH-SSDOTTSWSA-N 0 0 237.734 3.513 10 0 BHAERN CC[C@H](C)c1nc2cc(C)c(C)c(Cl)n2n1 ZINC000725245371 538001400 /nfs/dbraw/zinc/00/14/00/538001400.db2.gz CGVIYAITDWQWMH-ZETCQYMHSA-N 0 0 237.734 3.513 10 0 BHAERN Cc1cc(CSCC[Si](C)(C)C)on1 ZINC000725245524 538003542 /nfs/dbraw/zinc/00/35/42/538003542.db2.gz JMNPGLSVSFXRPZ-UHFFFAOYSA-N 0 0 229.421 3.554 10 0 BHAERN Cc1nc(C)c(CSCC[Si](C)(C)C)[nH]1 ZINC000725245533 538002159 /nfs/dbraw/zinc/00/21/59/538002159.db2.gz JXJFIQXAGDIONZ-UHFFFAOYSA-N 0 0 242.464 3.598 10 0 BHAERN CCCCc1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725245699 538002931 /nfs/dbraw/zinc/00/29/31/538002931.db2.gz LGYHRTMRMQMCNN-UHFFFAOYSA-N 0 0 249.745 3.603 10 0 BHAERN CC(C)(C)c1nc2cc(C3CC3)cc(Cl)n2n1 ZINC000725245962 538005528 /nfs/dbraw/zinc/00/55/28/538005528.db2.gz NGQLYKLSJMKHLH-UHFFFAOYSA-N 0 0 249.745 3.558 10 0 BHAERN Cc1cc(-c2ccsc2C=O)cs1 ZINC000725246010 538005322 /nfs/dbraw/zinc/00/53/22/538005322.db2.gz OQKJBVRHTRHGAX-UHFFFAOYSA-N 0 0 208.307 3.598 10 0 BHAERN O=Cc1sccc1-c1ccc(F)c(F)c1 ZINC000725246033 538004974 /nfs/dbraw/zinc/00/49/74/538004974.db2.gz PLBRNDXLGDBWED-UHFFFAOYSA-N 0 0 224.231 3.506 10 0 BHAERN Clc1cc(C2CCC2)cc2nc(C3CC3)nn21 ZINC000725246063 538007215 /nfs/dbraw/zinc/00/72/15/538007215.db2.gz QMJQLMFBIWQKQM-UHFFFAOYSA-N 0 0 247.729 3.528 10 0 BHAERN Cc1cc2nc(C3CCCC3)nn2c(Cl)c1C ZINC000725246121 538004554 /nfs/dbraw/zinc/00/45/54/538004554.db2.gz JZQCNUUEKMGXGJ-UHFFFAOYSA-N 0 0 249.745 3.657 10 0 BHAERN CC(C)c1cc2nc(C3CCC3)nn2c(Cl)c1 ZINC000725246221 538006316 /nfs/dbraw/zinc/00/63/16/538006316.db2.gz MANOKMBVLPAMAE-UHFFFAOYSA-N 0 0 249.745 3.774 10 0 BHAERN Clc1cc(C2CC2)cc2nc(C3CCC3)nn21 ZINC000725246403 539026743 /nfs/dbraw/zinc/02/67/43/539026743.db2.gz ZEAHYVBJDQAFMC-UHFFFAOYSA-N 0 0 247.729 3.528 10 0 BHAERN CCCc1cc2nc(C3CCC3)nn2c(Cl)c1 ZINC000725246504 538006502 /nfs/dbraw/zinc/00/65/02/538006502.db2.gz ODZSWIKARRZOLD-UHFFFAOYSA-N 0 0 249.745 3.603 10 0 BHAERN CC(C)c1nc2cc(C(C)C)cc(Cl)n2n1 ZINC000725246576 538006650 /nfs/dbraw/zinc/00/66/50/538006650.db2.gz QOXDKLULMTVQSN-UHFFFAOYSA-N 0 0 237.734 3.630 10 0 BHAERN CCc1cc2nc(C3CCCC3)nn2c(Cl)c1 ZINC000725246743 538008070 /nfs/dbraw/zinc/00/80/70/538008070.db2.gz VEYSBISIDUKMTI-UHFFFAOYSA-N 0 0 249.745 3.603 10 0 BHAERN Cc1cc2nc(C3CC3)nn2c(Cl)c1C(C)C ZINC000725246775 538009126 /nfs/dbraw/zinc/00/91/26/538009126.db2.gz WSRJJTLNUDGGKR-UHFFFAOYSA-N 0 0 249.745 3.692 10 0 BHAERN CSc1cc(N)cc2c1ccn2C(C)C ZINC000725247496 538013051 /nfs/dbraw/zinc/01/30/51/538013051.db2.gz OKACJPOQUMIGRZ-UHFFFAOYSA-N 0 0 220.341 3.526 10 0 BHAERN Fc1ccc2snc(Cl)c2c1Cl ZINC000725254027 538043095 /nfs/dbraw/zinc/04/30/95/538043095.db2.gz BLGDZGTXMLAYFR-UHFFFAOYSA-N 0 0 222.071 3.742 10 0 BHAERN FC(F)c1ccc2c(Cl)nsc2c1 ZINC000725254028 538042982 /nfs/dbraw/zinc/04/29/82/538042982.db2.gz BOTWBPYHDCLVCT-UHFFFAOYSA-N 0 0 219.643 3.887 10 0 BHAERN FC(F)c1ccc2snc(Cl)c2c1 ZINC000725254033 538042643 /nfs/dbraw/zinc/04/26/43/538042643.db2.gz CBXDXMBTCQEKJB-UHFFFAOYSA-N 0 0 219.643 3.887 10 0 BHAERN Fc1ccc2c(Cl)nsc2c1Cl ZINC000725254060 538042502 /nfs/dbraw/zinc/04/25/02/538042502.db2.gz DIPHSBUREZKNJL-UHFFFAOYSA-N 0 0 222.071 3.742 10 0 BHAERN COc1cc2c(Cl)nsc2c(Cl)c1 ZINC000725254101 538042944 /nfs/dbraw/zinc/04/29/44/538042944.db2.gz IHHTUWVDRJTFFT-UHFFFAOYSA-N 0 0 234.107 3.612 10 0 BHAERN Fc1c2snc(Cl)c2c(F)c(F)c1F ZINC000725254119 538043041 /nfs/dbraw/zinc/04/30/41/538043041.db2.gz JOBIGAXAIASSLR-UHFFFAOYSA-N 0 0 241.596 3.506 10 0 BHAERN Clc1nsc2c1cccc2Br ZINC000725254122 538042802 /nfs/dbraw/zinc/04/28/02/538042802.db2.gz KBIXZXYTJAZDNC-UHFFFAOYSA-N 0 0 248.532 3.712 10 0 BHAERN Fc1cc2c(Cl)nsc2cc1Cl ZINC000725254211 538043728 /nfs/dbraw/zinc/04/37/28/538043728.db2.gz UVQKWENOWXSDKI-UHFFFAOYSA-N 0 0 222.071 3.742 10 0 BHAERN Clc1nsc2cccc(Br)c12 ZINC000725254234 538043620 /nfs/dbraw/zinc/04/36/20/538043620.db2.gz XZMBYOSWCRUTTK-UHFFFAOYSA-N 0 0 248.532 3.712 10 0 BHAERN FC(F)c1cccc2c(Cl)nsc21 ZINC000725254248 538044026 /nfs/dbraw/zinc/04/40/26/538044026.db2.gz YVBIJHUIHLGLJS-UHFFFAOYSA-N 0 0 219.643 3.887 10 0 BHAERN FC(F)(F)c1ccc2snc(Cl)c2c1 ZINC000725254260 538044859 /nfs/dbraw/zinc/04/48/59/538044859.db2.gz ZQBRRIPASXWHDK-UHFFFAOYSA-N 0 0 237.633 3.969 10 0 BHAERN CCC(C)(C)c1cc2ccc(F)cc2[nH]1 ZINC000725254264 538044772 /nfs/dbraw/zinc/04/47/72/538044772.db2.gz FMGLJBNIGQXATD-UHFFFAOYSA-N 0 0 205.276 3.995 10 0 BHAERN Cc1ccc(-c2cc3cc(F)cnc3[nH]2)cc1 ZINC000725254266 538044760 /nfs/dbraw/zinc/04/47/60/538044760.db2.gz IDOWVKCAEGFOAX-UHFFFAOYSA-N 0 0 226.254 3.677 10 0 BHAERN CCC(C)(C)c1cc2cc(F)ccc2[nH]1 ZINC000725254503 538047074 /nfs/dbraw/zinc/04/70/74/538047074.db2.gz CKYZCFWFVGRXCX-UHFFFAOYSA-N 0 0 205.276 3.995 10 0 BHAERN Cc1ccc(-c2cc3cc(N)ccc3[nH]2)cc1 ZINC000725254512 539026770 /nfs/dbraw/zinc/02/67/70/539026770.db2.gz XCFMWIZSCUHJLY-UHFFFAOYSA-N 0 0 222.291 3.726 10 0 BHAERN CC(=O)c1cccc(/C=C(/F)C(F)(F)F)c1 ZINC000725254957 541331980 /nfs/dbraw/zinc/33/19/80/541331980.db2.gz LEOOMEVRIDZINM-UXBLZVDNSA-N 0 0 232.176 3.762 10 0 BHAERN CC(=O)c1ccc(/C=C(/F)C(F)(F)F)cc1 ZINC000725255056 538049982 /nfs/dbraw/zinc/04/99/82/538049982.db2.gz PTYKHSLDENARNP-UXBLZVDNSA-N 0 0 232.176 3.762 10 0 BHAERN F/C(=C/c1ccc(F)cc1)C(F)(F)F ZINC000725255070 538049913 /nfs/dbraw/zinc/04/99/13/538049913.db2.gz QKTRNVGJKDPKIA-VMPITWQZSA-N 0 0 208.129 3.698 10 0 BHAERN O=Cc1ccc(/C=C(/F)C(F)(F)F)cc1F ZINC000725255080 538050083 /nfs/dbraw/zinc/05/00/83/538050083.db2.gz QQURESDUVKQREJ-RUDMXATFSA-N 0 0 236.139 3.511 10 0 BHAERN F/C(=C/c1cccc(F)c1)C(F)(F)F ZINC000725255244 538051119 /nfs/dbraw/zinc/05/11/19/538051119.db2.gz WXZVMAYTXGBHFS-VMPITWQZSA-N 0 0 208.129 3.698 10 0 BHAERN Clc1nc(CCCc2ccccc2)cs1 ZINC000725255480 538052073 /nfs/dbraw/zinc/05/20/73/538052073.db2.gz CMHPLNDWSPFTKT-UHFFFAOYSA-N 0 0 237.755 3.972 10 0 BHAERN S=c1[nH]c(CCCc2ccccc2)cs1 ZINC000725255530 538053694 /nfs/dbraw/zinc/05/36/94/538053694.db2.gz DJRNFENBNTWSDM-UHFFFAOYSA-N 0 0 235.377 3.607 10 0 BHAERN CC(C)[C@H]1CCC(=O)[C@@H](C(F)(F)F)CC1 ZINC000725255881 538054362 /nfs/dbraw/zinc/05/43/62/538054362.db2.gz FTRLVNYXLCAXKU-BDAKNGLRSA-N 0 0 222.250 3.580 10 0 BHAERN CC(C)[C@@H]1CCC(=O)[C@H](C(F)(F)F)CC1 ZINC000725255886 538054256 /nfs/dbraw/zinc/05/42/56/538054256.db2.gz FTRLVNYXLCAXKU-DTWKUNHWSA-N 0 0 222.250 3.580 10 0 BHAERN CC(C)[C@@H]1CCC(=O)[C@@H](C(F)(F)F)CC1 ZINC000725255887 538054545 /nfs/dbraw/zinc/05/45/45/538054545.db2.gz FTRLVNYXLCAXKU-IUCAKERBSA-N 0 0 222.250 3.580 10 0 BHAERN CC(C)[C@H]1CCC(=O)[C@H](C(F)(F)F)CC1 ZINC000725255889 538054378 /nfs/dbraw/zinc/05/43/78/538054378.db2.gz FTRLVNYXLCAXKU-RKDXNWHRSA-N 0 0 222.250 3.580 10 0 BHAERN CC(C)(C)[C@@H]1CCCN[C@@H](C(F)(F)F)CC1 ZINC000725256040 541332779 /nfs/dbraw/zinc/33/27/79/541332779.db2.gz QKASRAPGHLEXOG-NXEZZACHSA-N 0 0 237.309 3.743 10 0 BHAERN CC(C)(C)[C@H]1CCCN[C@H](C(F)(F)F)CC1 ZINC000725256041 541332737 /nfs/dbraw/zinc/33/27/37/541332737.db2.gz QKASRAPGHLEXOG-UWVGGRQHSA-N 0 0 237.309 3.743 10 0 BHAERN CC(C)(C)[C@H]1CCCN[C@@H](C(F)(F)F)CC1 ZINC000725256042 541332804 /nfs/dbraw/zinc/33/28/04/541332804.db2.gz QKASRAPGHLEXOG-VHSXEESVSA-N 0 0 237.309 3.743 10 0 BHAERN CC(C)(C)[C@@H]1CCCN[C@H](C(F)(F)F)CC1 ZINC000725256043 541332823 /nfs/dbraw/zinc/33/28/23/541332823.db2.gz QKASRAPGHLEXOG-ZJUUUORDSA-N 0 0 237.309 3.743 10 0 BHAERN FC(F)(F)N1CCCc2cc(Cl)ccc21 ZINC000725256302 538056637 /nfs/dbraw/zinc/05/66/37/538056637.db2.gz BORXLENPCQEIJU-UHFFFAOYSA-N 0 0 235.636 3.612 10 0 BHAERN CC(C)(Br)[C@H]1CC2CCC1CC2 ZINC000725261355 538086812 /nfs/dbraw/zinc/08/68/12/538086812.db2.gz ITOVMXWYVDPDAH-RTBKNWGFSA-N 0 0 231.177 3.986 10 0 BHAERN CC(C)(Br)[C@@H]1CC2CCC1CC2 ZINC000725261356 538086451 /nfs/dbraw/zinc/08/64/51/538086451.db2.gz ITOVMXWYVDPDAH-UDNWOFFPSA-N 0 0 231.177 3.986 10 0 BHAERN O=Cc1cccc(-c2cccc3occc32)c1 ZINC000725263342 541336905 /nfs/dbraw/zinc/33/69/05/541336905.db2.gz OBTQHPRGNCFHQD-UHFFFAOYSA-N 0 0 222.243 3.912 10 0 BHAERN O=Cc1ccc(-c2cccc3occc32)cc1 ZINC000725263371 541337085 /nfs/dbraw/zinc/33/70/85/541337085.db2.gz UDIBNCQJFLKEGL-UHFFFAOYSA-N 0 0 222.243 3.912 10 0 BHAERN O=Cc1ccc(-c2ccc3sccc3c2)cn1 ZINC000725263577 541336644 /nfs/dbraw/zinc/33/66/44/541336644.db2.gz RPUCQJMOSFRYAI-UHFFFAOYSA-N 0 0 239.299 3.776 10 0 BHAERN CCCN(CC)c1cc(N)ccc1C(F)(F)F ZINC000725263613 541336885 /nfs/dbraw/zinc/33/68/85/541336885.db2.gz VPIGCNDHEOJNQV-UHFFFAOYSA-N 0 0 246.276 3.524 10 0 BHAERN Fc1cccc(-c2ccc([C@@H]3CCO3)cc2)c1 ZINC000725265061 538092925 /nfs/dbraw/zinc/09/29/25/538092925.db2.gz BRCCEMGSZGGUSJ-HNNXBMFYSA-N 0 0 228.266 3.954 10 0 BHAERN Fc1cccc(-c2ccc([C@H]3CCO3)cc2)c1 ZINC000725265062 538093124 /nfs/dbraw/zinc/09/31/24/538093124.db2.gz BRCCEMGSZGGUSJ-OAHLLOKOSA-N 0 0 228.266 3.954 10 0 BHAERN O=Cc1ccc(-c2ccc([C@@H]3CCO3)cc2)cc1 ZINC000725265072 538093141 /nfs/dbraw/zinc/09/31/41/538093141.db2.gz CFLABAWCSMSSJP-INIZCTEOSA-N 0 0 238.286 3.628 10 0 BHAERN O=Cc1ccc(-c2ccc([C@H]3CCO3)cc2)cc1 ZINC000725265073 538092726 /nfs/dbraw/zinc/09/27/26/538092726.db2.gz CFLABAWCSMSSJP-MRXNPFEDSA-N 0 0 238.286 3.628 10 0 BHAERN O=Cc1ccccc1-c1ccc([C@@H]2CCO2)cc1 ZINC000725265076 538093306 /nfs/dbraw/zinc/09/33/06/538093306.db2.gz CTJHWOSREMNCBW-INIZCTEOSA-N 0 0 238.286 3.628 10 0 BHAERN O=Cc1ccccc1-c1ccc([C@H]2CCO2)cc1 ZINC000725265077 538092670 /nfs/dbraw/zinc/09/26/70/538092670.db2.gz CTJHWOSREMNCBW-MRXNPFEDSA-N 0 0 238.286 3.628 10 0 BHAERN O=Cc1cc(-c2ccc([C@@H]3CCO3)cc2)cs1 ZINC000725265125 538093430 /nfs/dbraw/zinc/09/34/30/538093430.db2.gz HTJXTPMEPCTXMH-AWEZNQCLSA-N 0 0 244.315 3.689 10 0 BHAERN O=Cc1cc(-c2ccc([C@H]3CCO3)cc2)cs1 ZINC000725265126 538092841 /nfs/dbraw/zinc/09/28/41/538092841.db2.gz HTJXTPMEPCTXMH-CQSZACIVSA-N 0 0 244.315 3.689 10 0 BHAERN Clc1ccc(-c2ccc([C@H]3CCO3)cc2)cn1 ZINC000725265181 538092099 /nfs/dbraw/zinc/09/20/99/538092099.db2.gz MNWVHMQQARQUNF-CYBMUJFWSA-N 0 0 245.709 3.863 10 0 BHAERN Clc1ccc(-c2ccc([C@@H]3CCO3)cc2)cn1 ZINC000725265182 538091799 /nfs/dbraw/zinc/09/17/99/538091799.db2.gz MNWVHMQQARQUNF-ZDUSSCGKSA-N 0 0 245.709 3.863 10 0 BHAERN O=Cc1ccc(-c2ccc([C@H]3CCO3)cc2)s1 ZINC000725265222 538091686 /nfs/dbraw/zinc/09/16/86/538091686.db2.gz QIIVIGGUHPWBSE-CYBMUJFWSA-N 0 0 244.315 3.689 10 0 BHAERN O=Cc1ccc(-c2ccc([C@@H]3CCO3)cc2)s1 ZINC000725265223 538091642 /nfs/dbraw/zinc/09/16/42/538091642.db2.gz QIIVIGGUHPWBSE-ZDUSSCGKSA-N 0 0 244.315 3.689 10 0 BHAERN Fc1ccccc1-c1ccc([C@@H]2CCO2)cc1 ZINC000725265239 538091625 /nfs/dbraw/zinc/09/16/25/538091625.db2.gz TWIKQGNPYNVLFC-HNNXBMFYSA-N 0 0 228.266 3.954 10 0 BHAERN Fc1ccccc1-c1ccc([C@H]2CCO2)cc1 ZINC000725265240 538091473 /nfs/dbraw/zinc/09/14/73/538091473.db2.gz TWIKQGNPYNVLFC-OAHLLOKOSA-N 0 0 228.266 3.954 10 0 BHAERN Fc1ccc(-c2ccc([C@@H]3CCO3)cc2)cc1 ZINC000725265282 538091757 /nfs/dbraw/zinc/09/17/57/538091757.db2.gz WWIXJFREYNAXCZ-HNNXBMFYSA-N 0 0 228.266 3.954 10 0 BHAERN Fc1ccc(-c2ccc([C@H]3CCO3)cc2)cc1 ZINC000725265283 538091770 /nfs/dbraw/zinc/09/17/70/538091770.db2.gz WWIXJFREYNAXCZ-OAHLLOKOSA-N 0 0 228.266 3.954 10 0 BHAERN O=Cc1cccc(-c2ccc([C@@H]3CCO3)cc2)c1 ZINC000725265300 538091542 /nfs/dbraw/zinc/09/15/42/538091542.db2.gz YVPKAEKPNNGUPM-INIZCTEOSA-N 0 0 238.286 3.628 10 0 BHAERN O=Cc1cccc(-c2ccc([C@H]3CCO3)cc2)c1 ZINC000725265301 538092053 /nfs/dbraw/zinc/09/20/53/538092053.db2.gz YVPKAEKPNNGUPM-MRXNPFEDSA-N 0 0 238.286 3.628 10 0 BHAERN CC[C@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000725265430 538092775 /nfs/dbraw/zinc/09/27/75/538092775.db2.gz CNMUCXXNOSTOJE-JTQLQIEISA-N 0 0 244.313 3.731 10 0 BHAERN CC[C@@H]1CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000725265431 538093166 /nfs/dbraw/zinc/09/31/66/538093166.db2.gz CNMUCXXNOSTOJE-SNVBAGLBSA-N 0 0 244.313 3.731 10 0 BHAERN CC(C)Cc1n[nH]c2c1C[C@H](C(C)(C)C)CC2 ZINC000725265453 538093236 /nfs/dbraw/zinc/09/32/36/538093236.db2.gz FLRCBOALBINLIP-LLVKDONJSA-N 0 0 234.387 3.759 10 0 BHAERN CC(C)Cc1n[nH]c2c1C[C@@H](C(C)(C)C)CC2 ZINC000725265454 538093404 /nfs/dbraw/zinc/09/34/04/538093404.db2.gz FLRCBOALBINLIP-NSHDSACASA-N 0 0 234.387 3.759 10 0 BHAERN CCC(C)(C)[C@@H]1CCc2nn(C(C)C)c(N)c2C1 ZINC000725265489 538092993 /nfs/dbraw/zinc/09/29/93/538092993.db2.gz HOXQVZVDGNOGRB-LLVKDONJSA-N 0 0 249.402 3.587 10 0 BHAERN CCC(C)(C)[C@H]1CCc2nn(C(C)C)c(N)c2C1 ZINC000725265490 538092953 /nfs/dbraw/zinc/09/29/53/538092953.db2.gz HOXQVZVDGNOGRB-NSHDSACASA-N 0 0 249.402 3.587 10 0 BHAERN CC1(C)CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000725265498 538092997 /nfs/dbraw/zinc/09/29/97/538092997.db2.gz IOOXIZVSWFURNN-UHFFFAOYSA-N 0 0 226.323 3.592 10 0 BHAERN CC[C@H]1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000725265576 538092615 /nfs/dbraw/zinc/09/26/15/538092615.db2.gz KQLZTVDAJSYHHG-JTQLQIEISA-N 0 0 244.313 3.731 10 0 BHAERN CC[C@@H]1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000725265577 538092747 /nfs/dbraw/zinc/09/27/47/538092747.db2.gz KQLZTVDAJSYHHG-SNVBAGLBSA-N 0 0 244.313 3.731 10 0 BHAERN CC1(C)CCc2[nH]nc(-c3cccc(F)c3)c2C1 ZINC000725265626 538093379 /nfs/dbraw/zinc/09/33/79/538093379.db2.gz PETAKDYRABDRHC-UHFFFAOYSA-N 0 0 244.313 3.731 10 0 BHAERN CC1(C)CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000725265640 538093151 /nfs/dbraw/zinc/09/31/51/538093151.db2.gz RBIVZMFTQUQHBL-UHFFFAOYSA-N 0 0 244.313 3.731 10 0 BHAERN CCCCc1n[nH]c2c1C[C@H](C(C)(C)C)CC2 ZINC000725265679 538093775 /nfs/dbraw/zinc/09/37/75/538093775.db2.gz UDFILYAUYOASAQ-LLVKDONJSA-N 0 0 234.387 3.903 10 0 BHAERN CCCCc1n[nH]c2c1C[C@@H](C(C)(C)C)CC2 ZINC000725265680 538093930 /nfs/dbraw/zinc/09/39/30/538093930.db2.gz UDFILYAUYOASAQ-NSHDSACASA-N 0 0 234.387 3.903 10 0 BHAERN COCCC1(CCNc2ccccc2)CCC1 ZINC000725266810 538096570 /nfs/dbraw/zinc/09/65/70/538096570.db2.gz GEMQJMJMWRRDIN-UHFFFAOYSA-N 0 0 233.355 3.695 10 0 BHAERN COCc1ccccc1CCNc1ccsc1 ZINC000725266832 538097114 /nfs/dbraw/zinc/09/71/14/538097114.db2.gz IDNIZWOCXKUETQ-UHFFFAOYSA-N 0 0 247.363 3.549 10 0 BHAERN COCCC1(CNc2ccccc2)CCCC1 ZINC000725266854 538097677 /nfs/dbraw/zinc/09/76/77/538097677.db2.gz JLHDRHQOQAWASQ-UHFFFAOYSA-N 0 0 233.355 3.695 10 0 BHAERN CCOc1ccc2nc([C@@H](C)CC)c(O)cc2c1 ZINC000725267352 538098237 /nfs/dbraw/zinc/09/82/37/538098237.db2.gz AEDOIOOTBBZRBA-JTQLQIEISA-N 0 0 245.322 3.853 10 0 BHAERN CCOc1ccc2nc([C@H](C)CC)c(O)cc2c1 ZINC000725267355 538098331 /nfs/dbraw/zinc/09/83/31/538098331.db2.gz AEDOIOOTBBZRBA-SNVBAGLBSA-N 0 0 245.322 3.853 10 0 BHAERN COc1ccc2cc(O)c(C3CCCC3)nc2c1 ZINC000725267358 538097978 /nfs/dbraw/zinc/09/79/78/538097978.db2.gz AOEKZCKEWVKAEG-UHFFFAOYSA-N 0 0 243.306 3.607 10 0 BHAERN COc1cccc2cc(O)c(CC(C)(C)C)nc21 ZINC000725267367 538098470 /nfs/dbraw/zinc/09/84/70/538098470.db2.gz BEWOLHXIHQQTRW-UHFFFAOYSA-N 0 0 245.322 3.538 10 0 BHAERN CCC(C)(C)c1nc2ccc(OC)cc2cc1O ZINC000725267377 538098168 /nfs/dbraw/zinc/09/81/68/538098168.db2.gz BSJPGKVUHQZSFE-UHFFFAOYSA-N 0 0 245.322 3.637 10 0 BHAERN Oc1cc2ccccc2nc1C1CCCCC1 ZINC000725267381 538098201 /nfs/dbraw/zinc/09/82/01/538098201.db2.gz BYXLYLDYRNWHQU-UHFFFAOYSA-N 0 0 227.307 3.988 10 0 BHAERN CCOc1ccc2nc(C(C)(C)C)c(O)cc2c1 ZINC000725267382 538098413 /nfs/dbraw/zinc/09/84/13/538098413.db2.gz BZEUIMKFWVNGMQ-UHFFFAOYSA-N 0 0 245.322 3.637 10 0 BHAERN Oc1cc2cccc(F)c2nc1C1CCCC1 ZINC000725267395 538098256 /nfs/dbraw/zinc/09/82/56/538098256.db2.gz DBQCERZGYVDSPG-UHFFFAOYSA-N 0 0 231.270 3.737 10 0 BHAERN COc1cccc2nc(CC(C)(C)C)c(O)cc21 ZINC000725267415 538098346 /nfs/dbraw/zinc/09/83/46/538098346.db2.gz FUSQOPXZVRATEX-UHFFFAOYSA-N 0 0 245.322 3.538 10 0 BHAERN CCc1ccc2nc(C(F)(F)F)c(O)cc2c1 ZINC000725267416 538098125 /nfs/dbraw/zinc/09/81/25/538098125.db2.gz FWVYDAHNYQDQNN-UHFFFAOYSA-N 0 0 241.212 3.522 10 0 BHAERN COc1ccc2nc(CC(C)(C)C)c(O)cc2c1 ZINC000725267445 538098265 /nfs/dbraw/zinc/09/82/65/538098265.db2.gz HPQWHDILHVWNOQ-UHFFFAOYSA-N 0 0 245.322 3.538 10 0 BHAERN CCc1cccc2cc(O)c(C3CCC3)nc21 ZINC000725267446 538098241 /nfs/dbraw/zinc/09/82/41/538098241.db2.gz HSLAIUDKTCSOSM-UHFFFAOYSA-N 0 0 227.307 3.770 10 0 BHAERN COc1ccc2cc(O)c(CC(C)(C)C)nc2c1 ZINC000725267466 538098106 /nfs/dbraw/zinc/09/81/06/538098106.db2.gz IWXOVDPZSRNRPW-UHFFFAOYSA-N 0 0 245.322 3.538 10 0 BHAERN CCc1cccc2cc(O)c(C(F)(F)F)nc21 ZINC000725267471 538098531 /nfs/dbraw/zinc/09/85/31/538098531.db2.gz JLHAOYQUTINNNU-UHFFFAOYSA-N 0 0 241.212 3.522 10 0 BHAERN CCC(C)(C)c1nc2cc(OC)ccc2cc1O ZINC000725267475 538098290 /nfs/dbraw/zinc/09/82/90/538098290.db2.gz JVYONFZTQQUYJK-UHFFFAOYSA-N 0 0 245.322 3.637 10 0 BHAERN Cc1cccc2cc(O)c(CC(C)(C)C)nc12 ZINC000725267480 538098183 /nfs/dbraw/zinc/09/81/83/538098183.db2.gz JWYZZKGSXDVDAL-UHFFFAOYSA-N 0 0 229.323 3.837 10 0 BHAERN CCC(C)(C)c1nc2ccc(C)cc2cc1O ZINC000725267486 538097431 /nfs/dbraw/zinc/09/74/31/538097431.db2.gz KLCJCBFIRSQJEJ-UHFFFAOYSA-N 0 0 229.323 3.936 10 0 BHAERN CCc1ccc2nc(C3CCC3)c(O)cc2c1 ZINC000725267510 538099178 /nfs/dbraw/zinc/09/91/78/538099178.db2.gz MFMAFSYJXNKCFX-UHFFFAOYSA-N 0 0 227.307 3.770 10 0 BHAERN Oc1cc2cc(F)ccc2nc1C1CCCC1 ZINC000725267540 538099139 /nfs/dbraw/zinc/09/91/39/538099139.db2.gz OLPPDYWOBQUUQT-UHFFFAOYSA-N 0 0 231.270 3.737 10 0 BHAERN Oc1cc2ccc(F)cc2nc1C1CCCC1 ZINC000725267546 538099192 /nfs/dbraw/zinc/09/91/92/538099192.db2.gz ORXSLMZWPAVROT-UHFFFAOYSA-N 0 0 231.270 3.737 10 0 BHAERN CC(C)(C)Cc1nc2ccc(F)cc2cc1O ZINC000725267656 538098160 /nfs/dbraw/zinc/09/81/60/538098160.db2.gz PWXCABSAGQQLSJ-UHFFFAOYSA-N 0 0 233.286 3.668 10 0 BHAERN COc1cccc2cc(O)c(C3CCCC3)nc21 ZINC000725267662 538098185 /nfs/dbraw/zinc/09/81/85/538098185.db2.gz PZEQRSWOOVYNFP-UHFFFAOYSA-N 0 0 243.306 3.607 10 0 BHAERN Cc1ccc2nc(CC(C)(C)C)c(O)cc2c1 ZINC000725267685 538099109 /nfs/dbraw/zinc/09/91/09/538099109.db2.gz RRXWKYZDNVKYMA-UHFFFAOYSA-N 0 0 229.323 3.837 10 0 BHAERN COc1ccc2nc(C3CCCC3)c(O)cc2c1 ZINC000725267701 538099196 /nfs/dbraw/zinc/09/91/96/538099196.db2.gz SNLMRXIPWBNIAO-UHFFFAOYSA-N 0 0 243.306 3.607 10 0 BHAERN CCC(C)(C)c1nc2cc(F)ccc2cc1O ZINC000725267702 538099000 /nfs/dbraw/zinc/09/90/00/538099000.db2.gz SOTQLWUAMFSQNP-UHFFFAOYSA-N 0 0 233.286 3.767 10 0 BHAERN Cc1cccc2cc(O)c(C3CCCC3)nc12 ZINC000725267707 538099635 /nfs/dbraw/zinc/09/96/35/538099635.db2.gz SRRWWVCLUBEXPB-UHFFFAOYSA-N 0 0 227.307 3.906 10 0 BHAERN CCc1cccc2cc(O)c(C(C)(C)C)nc21 ZINC000725267714 538099707 /nfs/dbraw/zinc/09/97/07/538099707.db2.gz SZXQAHZCUAWHGT-UHFFFAOYSA-N 0 0 229.323 3.800 10 0 BHAERN CC(C)(C)Cc1nc2c(F)cccc2cc1O ZINC000725267718 538099447 /nfs/dbraw/zinc/09/94/47/538099447.db2.gz TWVGVTIHCGVVMK-UHFFFAOYSA-N 0 0 233.286 3.668 10 0 BHAERN CCC(C)(C)c1nc2c(cccc2OC)cc1O ZINC000725267720 538099583 /nfs/dbraw/zinc/09/95/83/538099583.db2.gz UELLOUQZCFDXOD-UHFFFAOYSA-N 0 0 245.322 3.637 10 0 BHAERN Nc1ccc2nc(C3CCCCC3)c(O)cc2c1 ZINC000725267742 538098876 /nfs/dbraw/zinc/09/88/76/538098876.db2.gz UXFMDSBSGZFIHQ-UHFFFAOYSA-N 0 0 242.322 3.570 10 0 BHAERN CCC(C)(C)c1nc2ccc(F)cc2cc1O ZINC000725267756 538099045 /nfs/dbraw/zinc/09/90/45/538099045.db2.gz WGUCXYSOYMNLCX-UHFFFAOYSA-N 0 0 233.286 3.767 10 0 BHAERN CC(C)(C)Cc1nc2cc(F)ccc2cc1O ZINC000725267757 538099047 /nfs/dbraw/zinc/09/90/47/538099047.db2.gz WGUPMKLVDWDXLC-UHFFFAOYSA-N 0 0 233.286 3.668 10 0 BHAERN CCC(C)(C)c1nc2c(F)cccc2cc1O ZINC000725267774 538098966 /nfs/dbraw/zinc/09/89/66/538098966.db2.gz XEWPGQNFOZUKDL-UHFFFAOYSA-N 0 0 233.286 3.767 10 0 BHAERN CCC(C)(C)c1nc2c(C)cccc2cc1O ZINC000725267775 538099220 /nfs/dbraw/zinc/09/92/20/538099220.db2.gz XEYPGULKEDTUDW-UHFFFAOYSA-N 0 0 229.323 3.936 10 0 BHAERN CCc1ccc2nc(C(C)(C)C)c(O)cc2c1 ZINC000725267788 538098848 /nfs/dbraw/zinc/09/88/48/538098848.db2.gz YDAKFMXCURSQGH-UHFFFAOYSA-N 0 0 229.323 3.800 10 0 BHAERN CCc1nc2ccc(C(C)(C)C)cc2cc1O ZINC000725267789 538099155 /nfs/dbraw/zinc/09/91/55/538099155.db2.gz YETUKYHNUZNDJN-UHFFFAOYSA-N 0 0 229.323 3.800 10 0 BHAERN Cc1ccc2nc(C3CCCC3)c(O)cc2c1 ZINC000725267793 538099117 /nfs/dbraw/zinc/09/91/17/538099117.db2.gz YMDWFWZDFRRRJS-UHFFFAOYSA-N 0 0 227.307 3.906 10 0 BHAERN CCOc1ccc2nc(C3CCC3)c(O)cc2c1 ZINC000725267800 538099246 /nfs/dbraw/zinc/09/92/46/538099246.db2.gz ZFESCCGORYWLLJ-UHFFFAOYSA-N 0 0 243.306 3.607 10 0 BHAERN CCC(C)(C)c1nc2cccc(OC)c2cc1O ZINC000725267807 538099250 /nfs/dbraw/zinc/09/92/50/538099250.db2.gz ZNIPAMKSLFXZPL-UHFFFAOYSA-N 0 0 245.322 3.637 10 0 BHAERN COc1cccc2nc(C3CCCC3)c(O)cc21 ZINC000725267821 538098803 /nfs/dbraw/zinc/09/88/03/538098803.db2.gz ZZQXOZKRGHYAJS-UHFFFAOYSA-N 0 0 243.306 3.607 10 0 BHAERN CCc1cccc2cc(NN)c([C@@H](C)CC)nc21 ZINC000725267877 538098942 /nfs/dbraw/zinc/09/89/42/538098942.db2.gz BFGMQJAKBARXTB-JTQLQIEISA-N 0 0 243.354 3.596 10 0 BHAERN CCc1cccc2cc(NN)c([C@H](C)CC)nc21 ZINC000725267878 538099132 /nfs/dbraw/zinc/09/91/32/538099132.db2.gz BFGMQJAKBARXTB-SNVBAGLBSA-N 0 0 243.354 3.596 10 0 BHAERN CCC(C)(C)c1nc2ccc(C)cc2cc1NN ZINC000725267935 538099799 /nfs/dbraw/zinc/09/97/99/538099799.db2.gz CJTJHCCFBYSZCJ-UHFFFAOYSA-N 0 0 243.354 3.516 10 0 BHAERN NNc1cc2ccccc2nc1C1CCCCC1 ZINC000725267995 538099809 /nfs/dbraw/zinc/09/98/09/538099809.db2.gz DZEWCXYUAKFKDD-UHFFFAOYSA-N 0 0 241.338 3.568 10 0 BHAERN CC[C@@H](C)c1nc2ccc(Cl)cc2cc1NN ZINC000725268290 538100191 /nfs/dbraw/zinc/10/01/91/538100191.db2.gz LJRKMQYIHTUEMT-MRVPVSSYSA-N 0 0 249.745 3.687 10 0 BHAERN CC[C@H](C)c1nc2ccc(Cl)cc2cc1NN ZINC000725268291 538100186 /nfs/dbraw/zinc/10/01/86/538100186.db2.gz LJRKMQYIHTUEMT-QMMMGPOBSA-N 0 0 249.745 3.687 10 0 BHAERN CC[C@@H](C)c1nc2c(Cl)cccc2cc1NN ZINC000725268341 538100338 /nfs/dbraw/zinc/10/03/38/538100338.db2.gz MYIBVPJALOXROM-MRVPVSSYSA-N 0 0 249.745 3.687 10 0 BHAERN CC[C@H](C)c1nc2c(Cl)cccc2cc1NN ZINC000725268342 538100243 /nfs/dbraw/zinc/10/02/43/538100243.db2.gz MYIBVPJALOXROM-QMMMGPOBSA-N 0 0 249.745 3.687 10 0 BHAERN CC[C@@H](C)c1nc2cc(Cl)ccc2cc1NN ZINC000725268615 538100793 /nfs/dbraw/zinc/10/07/93/538100793.db2.gz WUOCINXFMZYXFS-MRVPVSSYSA-N 0 0 249.745 3.687 10 0 BHAERN CC[C@H](C)c1nc2cc(Cl)ccc2cc1NN ZINC000725268616 538100720 /nfs/dbraw/zinc/10/07/20/538100720.db2.gz WUOCINXFMZYXFS-QMMMGPOBSA-N 0 0 249.745 3.687 10 0 BHAERN CCC(C)(C)c1nc2c(C)cccc2cc1NN ZINC000725268675 541338462 /nfs/dbraw/zinc/33/84/62/541338462.db2.gz YBLQRNQOFKIUOC-UHFFFAOYSA-N 0 0 243.354 3.516 10 0 BHAERN Cc1c(N)cncc1-c1cccc(C(C)(C)C)c1 ZINC000725269089 538101607 /nfs/dbraw/zinc/10/16/07/538101607.db2.gz DLPIUGRBOFYHSF-UHFFFAOYSA-N 0 0 240.350 3.937 10 0 BHAERN CCn1cc(C(F)F)c(-c2ccc(F)cc2)n1 ZINC000725269573 538101738 /nfs/dbraw/zinc/10/17/38/538101738.db2.gz ABGGBPGGRWXAHZ-UHFFFAOYSA-N 0 0 240.228 3.647 10 0 BHAERN CCn1cc(C(F)F)c(-c2cccc(F)c2)n1 ZINC000725269626 538101767 /nfs/dbraw/zinc/10/17/67/538101767.db2.gz BCWPEKSROUEOSJ-UHFFFAOYSA-N 0 0 240.228 3.647 10 0 BHAERN CCn1cc(C(F)F)c(-c2ccccc2F)n1 ZINC000725270476 538102204 /nfs/dbraw/zinc/10/22/04/538102204.db2.gz OHLSCBBYXRMTDV-UHFFFAOYSA-N 0 0 240.228 3.647 10 0 BHAERN CC(C)(C)OC(=O)/C=C/c1ccc2[nH]ccc2c1 ZINC000725273932 538105065 /nfs/dbraw/zinc/10/50/65/538105065.db2.gz WACCSVVCIGUDCO-FNORWQNLSA-N 0 0 243.306 3.523 10 0 BHAERN O=Cc1cccc(-c2ccc3ccoc3c2)c1 ZINC000725395054 710755702 /nfs/dbraw/zinc/75/57/02/710755702.db2.gz XXGYRVWJGYMSJT-UHFFFAOYSA-N 0 0 222.243 3.912 10 0 BHAERN C/C=C/[C@@]1(O)C=C[C@@H](C(C)(C)CC)CC1 ZINC000757057000 586424180 /nfs/dbraw/zinc/42/41/80/586424180.db2.gz NMFFVAQAOIZNHV-DHTPOUDLSA-N 0 0 208.345 3.696 10 0 BHAERN C/C=C/[C@@]1(O)C=C[C@H](C(C)(C)CC)CC1 ZINC000757057001 586424016 /nfs/dbraw/zinc/42/40/16/586424016.db2.gz NMFFVAQAOIZNHV-OKSBWBPSSA-N 0 0 208.345 3.696 10 0 BHAERN CC(C)CCc1nc(Cl)c2ccccc2n1 ZINC000757120606 582496307 /nfs/dbraw/zinc/49/63/07/582496307.db2.gz AQPXERLTQOKMCJ-UHFFFAOYSA-N 0 0 234.730 3.872 10 0 BHAERN CCc1c(C)sc2nc(CC)nc(Cl)c12 ZINC000757120614 582496455 /nfs/dbraw/zinc/49/64/55/582496455.db2.gz BCLFLPZTKJNXHQ-UHFFFAOYSA-N 0 0 240.759 3.778 10 0 BHAERN CC[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000757120624 582496262 /nfs/dbraw/zinc/49/62/62/582496262.db2.gz BUUJBIPAMQRFHO-LURJTMIESA-N 0 0 236.340 3.527 10 0 BHAERN CC[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000757120625 582496532 /nfs/dbraw/zinc/49/65/32/582496532.db2.gz BUUJBIPAMQRFHO-ZCFIWIBFSA-N 0 0 236.340 3.527 10 0 BHAERN CC(C)(C)c1nc(=O)c2c(C3CC3)csc2[nH]1 ZINC000757120771 643235218 /nfs/dbraw/zinc/23/52/18/643235218.db2.gz HLKZGINCFYMEMK-UHFFFAOYSA-N 0 0 248.351 3.572 10 0 BHAERN CCc1c(C)sc2nc(C)nc(Cl)c12 ZINC000757122897 582497704 /nfs/dbraw/zinc/49/77/04/582497704.db2.gz ORZXONMNOGJHPS-UHFFFAOYSA-N 0 0 226.732 3.524 10 0 BHAERN CC[C@@H](C)c1nc(=O)c2c(C3CC3)csc2[nH]1 ZINC000757122958 582497988 /nfs/dbraw/zinc/49/79/88/582497988.db2.gz PXAHVRFQZRLMKT-SSDOTTSWSA-N 0 0 248.351 3.788 10 0 BHAERN CC[C@H](C)c1nc(=O)c2c(C3CC3)csc2[nH]1 ZINC000757122961 582498230 /nfs/dbraw/zinc/49/82/30/582498230.db2.gz PXAHVRFQZRLMKT-ZETCQYMHSA-N 0 0 248.351 3.788 10 0 BHAERN Clc1nc([C@H]2CC23CC3)nc2sccc21 ZINC000757123005 582498532 /nfs/dbraw/zinc/49/85/32/582498532.db2.gz QPLVXARBYDTAJT-SSDOTTSWSA-N 0 0 236.727 3.612 10 0 BHAERN Clc1nc([C@@H]2CC23CC3)nc2sccc21 ZINC000757123006 582498510 /nfs/dbraw/zinc/49/85/10/582498510.db2.gz QPLVXARBYDTAJT-ZETCQYMHSA-N 0 0 236.727 3.612 10 0 BHAERN CC[C@@H](C)Cc1nc(Cl)c2ccccc2n1 ZINC000757123032 582498234 /nfs/dbraw/zinc/49/82/34/582498234.db2.gz RWHHEUCYKJSHTP-SECBINFHSA-N 0 0 234.730 3.872 10 0 BHAERN CC[C@H](C)Cc1nc(Cl)c2ccccc2n1 ZINC000757123036 582498257 /nfs/dbraw/zinc/49/82/57/582498257.db2.gz RWHHEUCYKJSHTP-VIFPVBQESA-N 0 0 234.730 3.872 10 0 BHAERN CCCCc1nc(=O)c2c(C3CC3)csc2[nH]1 ZINC000757123885 582498873 /nfs/dbraw/zinc/49/88/73/582498873.db2.gz VRUKYYAGUWFOKS-UHFFFAOYSA-N 0 0 248.351 3.617 10 0 BHAERN C[C@H]1C[C@H]1Nc1cccc2ccsc21 ZINC000757124028 582499300 /nfs/dbraw/zinc/49/93/00/582499300.db2.gz XMRJCIVKWFGYJY-GZMMTYOYSA-N 0 0 203.310 3.722 10 0 BHAERN C[C@@H]1C[C@@H]1Nc1cccc2ccsc21 ZINC000757124034 582499645 /nfs/dbraw/zinc/49/96/45/582499645.db2.gz XMRJCIVKWFGYJY-KCJUWKMLSA-N 0 0 203.310 3.722 10 0 BHAERN C[C@H]1C[C@@H]1Nc1cccc2ccsc21 ZINC000757124037 582499184 /nfs/dbraw/zinc/49/91/84/582499184.db2.gz XMRJCIVKWFGYJY-KWQFWETISA-N 0 0 203.310 3.722 10 0 BHAERN C[C@@H]1C[C@H]1Nc1cccc2ccsc21 ZINC000757124038 582499305 /nfs/dbraw/zinc/49/93/05/582499305.db2.gz XMRJCIVKWFGYJY-LDYMZIIASA-N 0 0 203.310 3.722 10 0 BHAERN C[C@@H](F)CNc1cccc2ccsc21 ZINC000757124226 582499307 /nfs/dbraw/zinc/49/93/07/582499307.db2.gz CCLBDTATGHEFDG-MRVPVSSYSA-N 0 0 209.289 3.671 10 0 BHAERN C[C@H](F)CNc1cccc2ccsc21 ZINC000757124239 582499351 /nfs/dbraw/zinc/49/93/51/582499351.db2.gz CCLBDTATGHEFDG-QMMMGPOBSA-N 0 0 209.289 3.671 10 0 BHAERN CC(C)(C)Cc1nc(Cl)c2ccccc2n1 ZINC000757124544 582499214 /nfs/dbraw/zinc/49/92/14/582499214.db2.gz ZQXZHWFNFHEKKV-UHFFFAOYSA-N 0 0 234.730 3.872 10 0 BHAERN CSCC[C@@H](C)Nc1ccc2c(ccn2C)c1 ZINC000757125437 582500257 /nfs/dbraw/zinc/50/02/57/582500257.db2.gz DLJFBUPHYJRALA-LLVKDONJSA-N 0 0 248.395 3.732 10 0 BHAERN CSCC[C@H](C)Nc1ccc2c(ccn2C)c1 ZINC000757125443 582500125 /nfs/dbraw/zinc/50/01/25/582500125.db2.gz DLJFBUPHYJRALA-NSHDSACASA-N 0 0 248.395 3.732 10 0 BHAERN Cn1ccc2cc(NCc3cccs3)ccc21 ZINC000757125593 582500947 /nfs/dbraw/zinc/50/09/47/582500947.db2.gz FCJHINSMIKZDCX-UHFFFAOYSA-N 0 0 242.347 3.852 10 0 BHAERN CCSCCCNc1ccc2c(ccn2C)c1 ZINC000757125671 582500020 /nfs/dbraw/zinc/50/00/20/582500020.db2.gz FKFGVCNQOPZHPV-UHFFFAOYSA-N 0 0 248.395 3.733 10 0 BHAERN CCCCCCNc1ccc2c(c1)CCN2C ZINC000757126401 586426549 /nfs/dbraw/zinc/42/65/49/586426549.db2.gz FNSBMYKZVNHHPR-UHFFFAOYSA-N 0 0 232.371 3.671 10 0 BHAERN CCCCCNc1ccc2c(ccn2C)c1 ZINC000757126499 582500417 /nfs/dbraw/zinc/50/04/17/582500417.db2.gz FYCSFHAAIQMVLW-UHFFFAOYSA-N 0 0 216.328 3.780 10 0 BHAERN C[C@@H](Nc1ccc2c(ccn2C)c1)C(F)(F)F ZINC000757127805 582502952 /nfs/dbraw/zinc/50/29/52/582502952.db2.gz IAJRXHVCGCQUMO-MRVPVSSYSA-N 0 0 242.244 3.541 10 0 BHAERN C[C@H](Nc1ccc2c(ccn2C)c1)C(F)(F)F ZINC000757127825 582503568 /nfs/dbraw/zinc/50/35/68/582503568.db2.gz IAJRXHVCGCQUMO-QMMMGPOBSA-N 0 0 242.244 3.541 10 0 BHAERN CCC(CC)Nc1ccc2c(ccn2C)c1 ZINC000757129661 582504177 /nfs/dbraw/zinc/50/41/77/582504177.db2.gz MSFHIOIQWOVQCB-UHFFFAOYSA-N 0 0 216.328 3.779 10 0 BHAERN CC(C)CCNc1ccc2c(ccn2C)c1 ZINC000757130719 582505054 /nfs/dbraw/zinc/50/50/54/582505054.db2.gz NVFHDCALZSSQAP-UHFFFAOYSA-N 0 0 216.328 3.636 10 0 BHAERN C[C@@H](Nc1ccc2c(ccn2C)c1)C1CCC1 ZINC000757130842 586426287 /nfs/dbraw/zinc/42/62/87/586426287.db2.gz OGVKXTCOHCZKQB-LLVKDONJSA-N 0 0 228.339 3.779 10 0 BHAERN C[C@H](Nc1ccc2c(ccn2C)c1)C1CCC1 ZINC000757130855 586426344 /nfs/dbraw/zinc/42/63/44/586426344.db2.gz OGVKXTCOHCZKQB-NSHDSACASA-N 0 0 228.339 3.779 10 0 BHAERN Cc1cc(Cl)c(O)c(C(=O)CC(C)C)c1 ZINC000757131395 582505962 /nfs/dbraw/zinc/50/59/62/582505962.db2.gz KADFFGHGOUPWIH-UHFFFAOYSA-N 0 0 226.703 3.583 10 0 BHAERN CC(C)(C)[C@@H]([NH3+])c1ccc([O-])c(Cl)c1Cl ZINC000757131709 582506362 /nfs/dbraw/zinc/50/63/62/582506362.db2.gz CCZULUOTQDDGTD-JTQLQIEISA-N 0 0 248.153 3.745 10 0 BHAERN CC(C)(C)[C@H]([NH3+])c1ccc([O-])c(Cl)c1Cl ZINC000757131712 582506350 /nfs/dbraw/zinc/50/63/50/582506350.db2.gz CCZULUOTQDDGTD-SNVBAGLBSA-N 0 0 248.153 3.745 10 0 BHAERN Cc1cc(Cl)c(O)c(C(=O)C(C)(C)C)c1 ZINC000757131896 582507416 /nfs/dbraw/zinc/50/74/16/582507416.db2.gz NZRMCAARHVRSFA-UHFFFAOYSA-N 0 0 226.703 3.583 10 0 BHAERN CC(C)C[C@@H]([NH3+])c1ccc([O-])c(Cl)c1Cl ZINC000757132750 643259342 /nfs/dbraw/zinc/25/93/42/643259342.db2.gz JRETXLUVRPYGHB-MRVPVSSYSA-N 0 0 248.153 3.745 10 0 BHAERN CC(C)C[C@H]([NH3+])c1ccc([O-])c(Cl)c1Cl ZINC000757132753 643258841 /nfs/dbraw/zinc/25/88/41/643258841.db2.gz JRETXLUVRPYGHB-QMMMGPOBSA-N 0 0 248.153 3.745 10 0 BHAERN CC(C)[C@@H](C)Nc1ccc2c(ccn2C)c1 ZINC000757132817 582508475 /nfs/dbraw/zinc/50/84/75/582508475.db2.gz RYGCQKPLPMOTND-LLVKDONJSA-N 0 0 216.328 3.635 10 0 BHAERN CC(C)[C@H](C)Nc1ccc2c(ccn2C)c1 ZINC000757132818 582508474 /nfs/dbraw/zinc/50/84/74/582508474.db2.gz RYGCQKPLPMOTND-NSHDSACASA-N 0 0 216.328 3.635 10 0 BHAERN Cn1ccc2cc(NCc3ccsc3)ccc21 ZINC000757132977 582509048 /nfs/dbraw/zinc/50/90/48/582509048.db2.gz SICIOWVBSALIHO-UHFFFAOYSA-N 0 0 242.347 3.852 10 0 BHAERN CC(C)=CCNc1ccc2c(ccn2C)c1 ZINC000757133800 582510462 /nfs/dbraw/zinc/51/04/62/582510462.db2.gz UKIOBCWMMZHFRG-UHFFFAOYSA-N 0 0 214.312 3.556 10 0 BHAERN Cc1csc(-c2ccc(C(F)(F)F)o2)n1 ZINC000757135025 586426861 /nfs/dbraw/zinc/42/68/61/586426861.db2.gz BNYYDIABZCHGKV-UHFFFAOYSA-N 0 0 233.214 3.730 10 0 BHAERN c1c2ccccc2[nH]c1NCCC1CCC1 ZINC000757135035 582514316 /nfs/dbraw/zinc/51/43/16/582514316.db2.gz BRALDILBAMPIDM-UHFFFAOYSA-N 0 0 214.312 3.770 10 0 BHAERN CC(C)CCNc1cc2ccccc2[nH]1 ZINC000757135077 582513545 /nfs/dbraw/zinc/51/35/45/582513545.db2.gz CBDMFJYKERKSRN-UHFFFAOYSA-N 0 0 202.301 3.626 10 0 BHAERN CCC[C@@H](C)Nc1ccc2c(ccn2C)c1 ZINC000757135082 582513622 /nfs/dbraw/zinc/51/36/22/582513622.db2.gz YHNIUQMCGMKKMR-LLVKDONJSA-N 0 0 216.328 3.779 10 0 BHAERN CCC[C@H](C)Nc1ccc2c(ccn2C)c1 ZINC000757135083 582513502 /nfs/dbraw/zinc/51/35/02/582513502.db2.gz YHNIUQMCGMKKMR-NSHDSACASA-N 0 0 216.328 3.779 10 0 BHAERN Fc1cccc(CNc2cc3ccccc3[nH]2)c1 ZINC000757135128 586426808 /nfs/dbraw/zinc/42/68/08/586426808.db2.gz DFUHMNKSFZRVIZ-UHFFFAOYSA-N 0 0 240.281 3.919 10 0 BHAERN C[C@H](Nc1cc2ccccc2[nH]1)C1CCC1 ZINC000757135655 582514811 /nfs/dbraw/zinc/51/48/11/582514811.db2.gz HIMBIIRHASXXDN-JTQLQIEISA-N 0 0 214.312 3.768 10 0 BHAERN C[C@@H](Nc1cc2ccccc2[nH]1)C1CCC1 ZINC000757135668 582514717 /nfs/dbraw/zinc/51/47/17/582514717.db2.gz HIMBIIRHASXXDN-SNVBAGLBSA-N 0 0 214.312 3.768 10 0 BHAERN Fc1ccccc1CNc1cc2ccccc2[nH]1 ZINC000757136667 582515797 /nfs/dbraw/zinc/51/57/97/582515797.db2.gz OGYFZTPPYSYTMN-UHFFFAOYSA-N 0 0 240.281 3.919 10 0 BHAERN FC(F)SCc1ccccc1Cl ZINC000757137101 586426971 /nfs/dbraw/zinc/42/69/71/586426971.db2.gz VKKLAFALLLJKDB-UHFFFAOYSA-N 0 0 208.660 3.796 10 0 BHAERN Fc1ccc(CNc2cc3ccccc3[nH]2)cc1 ZINC000757137103 586427277 /nfs/dbraw/zinc/42/72/77/586427277.db2.gz VQEJESMDKNCDLH-UHFFFAOYSA-N 0 0 240.281 3.919 10 0 BHAERN C[C@@H](Nc1cc2ccccc2[nH]1)C(F)(F)F ZINC000757137242 586426822 /nfs/dbraw/zinc/42/68/22/586426822.db2.gz YJZCGXYYXNXSMG-SSDOTTSWSA-N 0 0 228.217 3.531 10 0 BHAERN C[C@H](Nc1cc2ccccc2[nH]1)C(F)(F)F ZINC000757137244 586427298 /nfs/dbraw/zinc/42/72/98/586427298.db2.gz YJZCGXYYXNXSMG-ZETCQYMHSA-N 0 0 228.217 3.531 10 0 BHAERN Cc1cccn1Cc1ccc(Cl)c(C)c1 ZINC000757140860 582521444 /nfs/dbraw/zinc/52/14/44/582521444.db2.gz BNKWMWFIOGICSA-UHFFFAOYSA-N 0 0 219.715 3.807 10 0 BHAERN Cc1cc(CS[C@@H](C)CCO)ccc1Cl ZINC000757142581 586428507 /nfs/dbraw/zinc/42/85/07/586428507.db2.gz FBDJKCUTKDOAHA-JTQLQIEISA-N 0 0 244.787 3.653 10 0 BHAERN Cc1cc(CS[C@H](C)CCO)ccc1Cl ZINC000757142583 586428261 /nfs/dbraw/zinc/42/82/61/586428261.db2.gz FBDJKCUTKDOAHA-SNVBAGLBSA-N 0 0 244.787 3.653 10 0 BHAERN Cc1cc(CS[C@H](C)[C@@H](C)O)ccc1Cl ZINC000757143441 582523387 /nfs/dbraw/zinc/52/33/87/582523387.db2.gz HJPMZZDEOVVYTF-NXEZZACHSA-N 0 0 244.787 3.651 10 0 BHAERN Cc1cc(CS[C@@H](C)[C@H](C)O)ccc1Cl ZINC000757143442 582523346 /nfs/dbraw/zinc/52/33/46/582523346.db2.gz HJPMZZDEOVVYTF-UWVGGRQHSA-N 0 0 244.787 3.651 10 0 BHAERN Cc1cc(CS[C@H](C)[C@H](C)O)ccc1Cl ZINC000757143460 582523435 /nfs/dbraw/zinc/52/34/35/582523435.db2.gz HJPMZZDEOVVYTF-VHSXEESVSA-N 0 0 244.787 3.651 10 0 BHAERN Cc1cc(CS[C@@H](C)[C@@H](C)O)ccc1Cl ZINC000757143463 582523364 /nfs/dbraw/zinc/52/33/64/582523364.db2.gz HJPMZZDEOVVYTF-ZJUUUORDSA-N 0 0 244.787 3.651 10 0 BHAERN Cc1cc(C[C@@H](O)C(C)(C)C)ccc1Cl ZINC000757145946 582529014 /nfs/dbraw/zinc/52/90/14/582529014.db2.gz OIKBLERAENKRDE-GFCCVEGCSA-N 0 0 226.747 3.598 10 0 BHAERN Cc1cc(C[C@H](O)C(C)(C)C)ccc1Cl ZINC000757145965 582529046 /nfs/dbraw/zinc/52/90/46/582529046.db2.gz OIKBLERAENKRDE-LBPRGKRZSA-N 0 0 226.747 3.598 10 0 BHAERN Cc1cc(C[C@H](O)CC(C)C)ccc1Cl ZINC000757146453 582530390 /nfs/dbraw/zinc/53/03/90/582530390.db2.gz QYABASNCLYNZLF-GFCCVEGCSA-N 0 0 226.747 3.598 10 0 BHAERN Cc1cc(C[C@@H](O)CC(C)C)ccc1Cl ZINC000757146459 582530326 /nfs/dbraw/zinc/53/03/26/582530326.db2.gz QYABASNCLYNZLF-LBPRGKRZSA-N 0 0 226.747 3.598 10 0 BHAERN CC(C)(C)[C@@H]([NH3+])c1cc(Cl)c([O-])cc1Cl ZINC000757146474 582530555 /nfs/dbraw/zinc/53/05/55/582530555.db2.gz UVLCNROCBFMHAI-JTQLQIEISA-N 0 0 248.153 3.745 10 0 BHAERN CC(C)(C)[C@H]([NH3+])c1cc(Cl)c([O-])cc1Cl ZINC000757146475 582530569 /nfs/dbraw/zinc/53/05/69/582530569.db2.gz UVLCNROCBFMHAI-SNVBAGLBSA-N 0 0 248.153 3.745 10 0 BHAERN CC(C)C[C@H]([NH3+])c1cc(Cl)c([O-])cc1Cl ZINC000757146784 582530567 /nfs/dbraw/zinc/53/05/67/582530567.db2.gz UZHRPVMXNDBKBE-JTQLQIEISA-N 0 0 248.153 3.745 10 0 BHAERN CC(C)C[C@@H]([NH3+])c1cc(Cl)c([O-])cc1Cl ZINC000757146789 582530251 /nfs/dbraw/zinc/53/02/51/582530251.db2.gz UZHRPVMXNDBKBE-SNVBAGLBSA-N 0 0 248.153 3.745 10 0 BHAERN CCC[C@@H](CO)Cc1ccc(Cl)c(C)c1 ZINC000757147090 582530527 /nfs/dbraw/zinc/53/05/27/582530527.db2.gz AHIJHQJNGRZDRX-GFCCVEGCSA-N 0 0 226.747 3.600 10 0 BHAERN CCC[C@H](CO)Cc1ccc(Cl)c(C)c1 ZINC000757147111 582530927 /nfs/dbraw/zinc/53/09/27/582530927.db2.gz AHIJHQJNGRZDRX-LBPRGKRZSA-N 0 0 226.747 3.600 10 0 BHAERN CC[C@@H](C)[C@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757147225 586428902 /nfs/dbraw/zinc/42/89/02/586428902.db2.gz SWBACLAMCYJMAM-NOZJJQNGSA-N 0 0 226.747 3.598 10 0 BHAERN CC[C@@H](C)[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757147228 586428792 /nfs/dbraw/zinc/42/87/92/586428792.db2.gz SWBACLAMCYJMAM-RNCFNFMXSA-N 0 0 226.747 3.598 10 0 BHAERN CC[C@H](C)[C@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757147229 586428723 /nfs/dbraw/zinc/42/87/23/586428723.db2.gz SWBACLAMCYJMAM-TVQRCGJNSA-N 0 0 226.747 3.598 10 0 BHAERN CC[C@H](C)[C@@H](O)Cc1ccc(Cl)c(C)c1 ZINC000757147230 586429185 /nfs/dbraw/zinc/42/91/85/586429185.db2.gz SWBACLAMCYJMAM-ZANVPECISA-N 0 0 226.747 3.598 10 0 BHAERN Cc1cc(CSC[C@H](C)CO)ccc1Cl ZINC000757147471 643327009 /nfs/dbraw/zinc/32/70/09/643327009.db2.gz UXTDMTOTMKSTJT-SECBINFHSA-N 0 0 244.787 3.510 10 0 BHAERN Cc1cc(CSC[C@@H](C)CO)ccc1Cl ZINC000757147474 643327469 /nfs/dbraw/zinc/32/74/69/643327469.db2.gz UXTDMTOTMKSTJT-VIFPVBQESA-N 0 0 244.787 3.510 10 0 BHAERN Cc1cc(CSC(C)(C)CO)ccc1Cl ZINC000757147985 582531837 /nfs/dbraw/zinc/53/18/37/582531837.db2.gz 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3.598 10 0 BHAERN CC[C@@H](O)[C@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757152374 643344067 /nfs/dbraw/zinc/34/40/67/643344067.db2.gz KSMOTCRYDQVJAZ-ZWNOBZJWSA-N 0 0 226.747 3.598 10 0 BHAERN CC[C@H](Cc1ccc(Cl)c(C)c1)[C@H](C)O ZINC000757153158 582537082 /nfs/dbraw/zinc/53/70/82/582537082.db2.gz NPJKNITZIVFPEP-CMPLNLGQSA-N 0 0 226.747 3.598 10 0 BHAERN CC[C@@H](Cc1ccc(Cl)c(C)c1)[C@H](C)O ZINC000757153162 582536732 /nfs/dbraw/zinc/53/67/32/582536732.db2.gz NPJKNITZIVFPEP-JQWIXIFHSA-N 0 0 226.747 3.598 10 0 BHAERN CC[C@@H](Cc1ccc(Cl)c(C)c1)[C@@H](C)O ZINC000757153166 582537198 /nfs/dbraw/zinc/53/71/98/582537198.db2.gz NPJKNITZIVFPEP-PWSUYJOCSA-N 0 0 226.747 3.598 10 0 BHAERN CC[C@H](Cc1ccc(Cl)c(C)c1)[C@@H](C)O ZINC000757153171 582537690 /nfs/dbraw/zinc/53/76/90/582537690.db2.gz NPJKNITZIVFPEP-ZYHUDNBSSA-N 0 0 226.747 3.598 10 0 BHAERN Fc1ccccc1[C@H]1CCOC2(CCCCC2)[NH2+]1 ZINC000757153563 582539107 /nfs/dbraw/zinc/53/91/07/582539107.db2.gz XOZFGGHGKHVIPK-CQSZACIVSA-N 0 0 249.329 3.537 10 0 BHAERN CC[C@@](C)(CO)Cc1ccc(Cl)c(C)c1 ZINC000757153714 582538382 /nfs/dbraw/zinc/53/83/82/582538382.db2.gz QPFNZGVYPMLHTN-CYBMUJFWSA-N 0 0 226.747 3.600 10 0 BHAERN CC[C@](C)(CO)Cc1ccc(Cl)c(C)c1 ZINC000757153716 582538322 /nfs/dbraw/zinc/53/83/22/582538322.db2.gz QPFNZGVYPMLHTN-ZDUSSCGKSA-N 0 0 226.747 3.600 10 0 BHAERN Cc1cc(CC[C@@H](O)C(C)C)ccc1Cl ZINC000757153984 582539179 /nfs/dbraw/zinc/53/91/79/582539179.db2.gz TUKSWMZJRVSTJL-CYBMUJFWSA-N 0 0 226.747 3.598 10 0 BHAERN Cc1cc(CC[C@H](O)C(C)C)ccc1Cl ZINC000757153985 582538852 /nfs/dbraw/zinc/53/88/52/582538852.db2.gz TUKSWMZJRVSTJL-ZDUSSCGKSA-N 0 0 226.747 3.598 10 0 BHAERN Cc1cc(C[C@@H](C)C[C@@H](C)O)ccc1Cl ZINC000757154013 586429755 /nfs/dbraw/zinc/42/97/55/586429755.db2.gz UNJGVQZUTKPIFS-GXSJLCMTSA-N 0 0 226.747 3.598 10 0 BHAERN Cc1cc(C[C@H](C)C[C@H](C)O)ccc1Cl ZINC000757154014 586429272 /nfs/dbraw/zinc/42/92/72/586429272.db2.gz UNJGVQZUTKPIFS-KOLCDFICSA-N 0 0 226.747 3.598 10 0 BHAERN Cc1cc(C[C@H](C)C[C@@H](C)O)ccc1Cl ZINC000757154015 586429358 /nfs/dbraw/zinc/42/93/58/586429358.db2.gz UNJGVQZUTKPIFS-MWLCHTKSSA-N 0 0 226.747 3.598 10 0 BHAERN Cc1cc(C[C@@H](C)C[C@H](C)O)ccc1Cl ZINC000757154016 586429494 /nfs/dbraw/zinc/42/94/94/586429494.db2.gz UNJGVQZUTKPIFS-ONGXEEELSA-N 0 0 226.747 3.598 10 0 BHAERN CCC[C@@H](O)CCc1ccc(Cl)c(C)c1 ZINC000757154264 582539318 /nfs/dbraw/zinc/53/93/18/582539318.db2.gz WLIZXMVRABVTPQ-GFCCVEGCSA-N 0 0 226.747 3.742 10 0 BHAERN CCC[C@H](O)CCc1ccc(Cl)c(C)c1 ZINC000757154265 582538834 /nfs/dbraw/zinc/53/88/34/582538834.db2.gz WLIZXMVRABVTPQ-LBPRGKRZSA-N 0 0 226.747 3.742 10 0 BHAERN CCSCC(=O)Cc1ccc(Cl)c(C)c1 ZINC000757154468 643346272 /nfs/dbraw/zinc/34/62/72/643346272.db2.gz ZNOYJYKWZMUQKE-UHFFFAOYSA-N 0 0 242.771 3.513 10 0 BHAERN CCCC(=O)CCc1ccc(Cl)c(C)c1 ZINC000757155412 582540119 /nfs/dbraw/zinc/54/01/19/582540119.db2.gz BDFCQACRZVYIBJ-UHFFFAOYSA-N 0 0 224.731 3.950 10 0 BHAERN Cc1cc(CCC(=O)C2CC2)ccc1Cl ZINC000757155459 586430043 /nfs/dbraw/zinc/43/00/43/586430043.db2.gz CLOVPLNKOVITLX-UHFFFAOYSA-N 0 0 222.715 3.560 10 0 BHAERN CCCC(=O)Cc1ccc(Cl)c(C)c1 ZINC000757155897 582539910 /nfs/dbraw/zinc/53/99/10/582539910.db2.gz DRHSTAOGGDKDRB-UHFFFAOYSA-N 0 0 210.704 3.560 10 0 BHAERN Cc1cc(CC(=O)C2CCC2)ccc1Cl ZINC000757156217 586430222 /nfs/dbraw/zinc/43/02/22/586430222.db2.gz IKWXFKIVZQJXBQ-UHFFFAOYSA-N 0 0 222.715 3.560 10 0 BHAERN Cc1cc(C[C@H]2CCC(=O)C2)ccc1Cl ZINC000757156784 582540337 /nfs/dbraw/zinc/54/03/37/582540337.db2.gz JWZRFNWQEDZIQM-LLVKDONJSA-N 0 0 222.715 3.560 10 0 BHAERN Cc1cc(C[C@@H]2CCC(=O)C2)ccc1Cl ZINC000757156785 582540748 /nfs/dbraw/zinc/54/07/48/582540748.db2.gz JWZRFNWQEDZIQM-NSHDSACASA-N 0 0 222.715 3.560 10 0 BHAERN CC(=O)C1(Cc2ccc(Cl)c(C)c2)CC1 ZINC000757156790 582540617 /nfs/dbraw/zinc/54/06/17/582540617.db2.gz JYOSNHZIBJRZGQ-UHFFFAOYSA-N 0 0 222.715 3.560 10 0 BHAERN CCC(=O)[C@@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757156809 582541034 /nfs/dbraw/zinc/54/10/34/582541034.db2.gz KJOZPNALMUNCLL-JTQLQIEISA-N 0 0 224.731 3.806 10 0 BHAERN CCC(=O)[C@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757156810 582540938 /nfs/dbraw/zinc/54/09/38/582540938.db2.gz KJOZPNALMUNCLL-SNVBAGLBSA-N 0 0 224.731 3.806 10 0 BHAERN CC[C@@H](C)C(=O)Cc1ccc(Cl)c(C)c1 ZINC000757156817 586430574 /nfs/dbraw/zinc/43/05/74/586430574.db2.gz KQAPOUFVCMAVCL-SECBINFHSA-N 0 0 224.731 3.806 10 0 BHAERN CC[C@H](C)C(=O)Cc1ccc(Cl)c(C)c1 ZINC000757156818 586430541 /nfs/dbraw/zinc/43/05/41/586430541.db2.gz KQAPOUFVCMAVCL-VIFPVBQESA-N 0 0 224.731 3.806 10 0 BHAERN CCC(O)(CC)Cc1ccc(Cl)c(C)c1 ZINC000757158162 582540636 /nfs/dbraw/zinc/54/06/36/582540636.db2.gz NKENTYYUIMVQAO-UHFFFAOYSA-N 0 0 226.747 3.742 10 0 BHAERN CC[C@H](Cc1ccc(Cl)c(C)c1)C(C)=O ZINC000757159226 586430545 /nfs/dbraw/zinc/43/05/45/586430545.db2.gz OTFSLNFJNQYCND-GFCCVEGCSA-N 0 0 224.731 3.806 10 0 BHAERN CC[C@@H](Cc1ccc(Cl)c(C)c1)C(C)=O ZINC000757159238 586430384 /nfs/dbraw/zinc/43/03/84/586430384.db2.gz OTFSLNFJNQYCND-LBPRGKRZSA-N 0 0 224.731 3.806 10 0 BHAERN Cc1cc(CC(=O)C2(C)CC2)ccc1Cl ZINC000757159603 582541469 /nfs/dbraw/zinc/54/14/69/582541469.db2.gz POVKVIZMWMELNL-UHFFFAOYSA-N 0 0 222.715 3.560 10 0 BHAERN Cc1cc(CC(=O)CC2CC2)ccc1Cl ZINC000757159681 582540895 /nfs/dbraw/zinc/54/08/95/582540895.db2.gz PXQJRRUDDGNNIH-UHFFFAOYSA-N 0 0 222.715 3.560 10 0 BHAERN Cc1cc(CC(=O)CC(C)C)ccc1Cl ZINC000757159805 586430759 /nfs/dbraw/zinc/43/07/59/586430759.db2.gz QCUVHSYGDGOISJ-UHFFFAOYSA-N 0 0 224.731 3.806 10 0 BHAERN Cc1cc(C[C@H]2CCCC2=O)ccc1Cl ZINC000757160550 582544107 /nfs/dbraw/zinc/54/41/07/582544107.db2.gz RGJUHVSQWCHROT-LLVKDONJSA-N 0 0 222.715 3.560 10 0 BHAERN Cc1cc(C[C@@H]2CCCC2=O)ccc1Cl ZINC000757160557 582544383 /nfs/dbraw/zinc/54/43/83/582544383.db2.gz RGJUHVSQWCHROT-NSHDSACASA-N 0 0 222.715 3.560 10 0 BHAERN CCC(=O)CCc1ccc(Cl)c(C)c1 ZINC000757160774 586432267 /nfs/dbraw/zinc/43/22/67/586432267.db2.gz TUUURFPWJUDJTB-UHFFFAOYSA-N 0 0 210.704 3.560 10 0 BHAERN CCC[C@@](C)(O)Cc1ccc(Cl)c(C)c1 ZINC000757160799 586431951 /nfs/dbraw/zinc/43/19/51/586431951.db2.gz 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Cc1cc(CCC(=O)C(C)C)ccc1Cl ZINC000757162009 586432687 /nfs/dbraw/zinc/43/26/87/586432687.db2.gz ZIJXAFUFRHCJEN-UHFFFAOYSA-N 0 0 224.731 3.806 10 0 BHAERN CSCCC(=O)Cc1ccc(Cl)c(C)c1 ZINC000757162011 586432670 /nfs/dbraw/zinc/43/26/70/586432670.db2.gz ZKAUGJUEWCEHIK-UHFFFAOYSA-N 0 0 242.771 3.513 10 0 BHAERN CCC(=O)[C@@H](C)SCc1ccc(Cl)o1 ZINC000757162224 586431614 /nfs/dbraw/zinc/43/16/14/586431614.db2.gz CIUIHKLSVKURML-SSDOTTSWSA-N 0 0 232.732 3.534 10 0 BHAERN CCC(=O)[C@H](C)SCc1ccc(Cl)o1 ZINC000757162228 586431713 /nfs/dbraw/zinc/43/17/13/586431713.db2.gz CIUIHKLSVKURML-ZETCQYMHSA-N 0 0 232.732 3.534 10 0 BHAERN CCCC(=O)CSCc1ccc(Cl)o1 ZINC000757162462 586431227 /nfs/dbraw/zinc/43/12/27/586431227.db2.gz DTNKSVTVKQZESV-UHFFFAOYSA-N 0 0 232.732 3.535 10 0 BHAERN O=C1CCCC[C@@H]1SCc1ccc(Cl)o1 ZINC000757162483 582545434 /nfs/dbraw/zinc/54/54/34/582545434.db2.gz FCWFJXAYDDBADF-JTQLQIEISA-N 0 0 244.743 3.678 10 0 BHAERN O=C1CCCC[C@H]1SCc1ccc(Cl)o1 ZINC000757162484 582545281 /nfs/dbraw/zinc/54/52/81/582545281.db2.gz FCWFJXAYDDBADF-SNVBAGLBSA-N 0 0 244.743 3.678 10 0 BHAERN CC[C@@H](C)C(=O)CSCc1ccc(Cl)o1 ZINC000757162487 582545325 /nfs/dbraw/zinc/54/53/25/582545325.db2.gz FFDPKRXZOKJGFH-MRVPVSSYSA-N 0 0 246.759 3.781 10 0 BHAERN CC[C@H](C)C(=O)CSCc1ccc(Cl)o1 ZINC000757162488 582545462 /nfs/dbraw/zinc/54/54/62/582545462.db2.gz FFDPKRXZOKJGFH-QMMMGPOBSA-N 0 0 246.759 3.781 10 0 BHAERN Nc1cccc(SCc2ccc(Cl)o2)c1 ZINC000757164346 582546107 /nfs/dbraw/zinc/54/61/07/582546107.db2.gz FLMHVYPTFQWDJE-UHFFFAOYSA-N 0 0 239.727 3.808 10 0 BHAERN CC(=O)CCCSCc1ccc(Cl)o1 ZINC000757164397 582546203 /nfs/dbraw/zinc/54/62/03/582546203.db2.gz FRZPNADKBWCZNH-UHFFFAOYSA-N 0 0 232.732 3.535 10 0 BHAERN O=C1CCC[C@H](SCc2ccc(Cl)o2)C1 ZINC000757164745 582546710 /nfs/dbraw/zinc/54/67/10/582546710.db2.gz IOESXDLXCLUNGL-JTQLQIEISA-N 0 0 244.743 3.678 10 0 BHAERN O=C1CCC[C@@H](SCc2ccc(Cl)o2)C1 ZINC000757164748 582546652 /nfs/dbraw/zinc/54/66/52/582546652.db2.gz IOESXDLXCLUNGL-SNVBAGLBSA-N 0 0 244.743 3.678 10 0 BHAERN Cc1ccoc1CSc1ccc(C=O)s1 ZINC000757164884 582546631 /nfs/dbraw/zinc/54/66/31/582546631.db2.gz BQNRLTYYDDLJLM-UHFFFAOYSA-N 0 0 238.333 3.754 10 0 BHAERN C[C@@H]1C(=O)CC[C@H]1SCc1ccc(Cl)o1 ZINC000757165118 582547161 /nfs/dbraw/zinc/54/71/61/582547161.db2.gz LAAIPFDXBWMYPM-GMSGAONNSA-N 0 0 244.743 3.534 10 0 BHAERN C[C@H]1C(=O)CC[C@H]1SCc1ccc(Cl)o1 ZINC000757165134 582547008 /nfs/dbraw/zinc/54/70/08/582547008.db2.gz LAAIPFDXBWMYPM-OIBJUYFYSA-N 0 0 244.743 3.534 10 0 BHAERN C[C@@H]1C(=O)CC[C@@H]1SCc1ccc(Cl)o1 ZINC000757165156 582546904 /nfs/dbraw/zinc/54/69/04/582546904.db2.gz LAAIPFDXBWMYPM-XCBNKYQSSA-N 0 0 244.743 3.534 10 0 BHAERN C[C@H]1C(=O)CC[C@@H]1SCc1ccc(Cl)o1 ZINC000757165204 582547044 /nfs/dbraw/zinc/54/70/44/582547044.db2.gz LAAIPFDXBWMYPM-XVKPBYJWSA-N 0 0 244.743 3.534 10 0 BHAERN CC(C)(C)[C@H](O)CSCc1ccc(Cl)o1 ZINC000757165503 582546742 /nfs/dbraw/zinc/54/67/42/582546742.db2.gz LREPKKDFKUANAU-SECBINFHSA-N 0 0 248.775 3.573 10 0 BHAERN CC(C)(C)[C@@H](O)CSCc1ccc(Cl)o1 ZINC000757165507 582546641 /nfs/dbraw/zinc/54/66/41/582546641.db2.gz LREPKKDFKUANAU-VIFPVBQESA-N 0 0 248.775 3.573 10 0 BHAERN CCC(=O)CCCSCc1occc1C ZINC000757165591 582547152 /nfs/dbraw/zinc/54/71/52/582547152.db2.gz JKPVBCAXNHPTLG-UHFFFAOYSA-N 0 0 226.341 3.581 10 0 BHAERN CC(=O)CCCCSCc1occc1C ZINC000757165667 582546871 /nfs/dbraw/zinc/54/68/71/582546871.db2.gz KOMCXVKQVYFBKZ-UHFFFAOYSA-N 0 0 226.341 3.581 10 0 BHAERN Nc1ccc(SCc2ccc(Cl)o2)cc1 ZINC000757165768 582548138 /nfs/dbraw/zinc/54/81/38/582548138.db2.gz PMOLBDAAGDSZSN-UHFFFAOYSA-N 0 0 239.727 3.808 10 0 BHAERN CC(=O)C[C@@H](C)SCc1ccc(Cl)o1 ZINC000757165815 582547890 /nfs/dbraw/zinc/54/78/90/582547890.db2.gz PZNGCLUWFZXQGA-MRVPVSSYSA-N 0 0 232.732 3.534 10 0 BHAERN CC(=O)C[C@H](C)SCc1ccc(Cl)o1 ZINC000757165820 582548240 /nfs/dbraw/zinc/54/82/40/582548240.db2.gz PZNGCLUWFZXQGA-QMMMGPOBSA-N 0 0 232.732 3.534 10 0 BHAERN Cc1ccoc1CSc1nc(Cl)cs1 ZINC000757166045 582548089 /nfs/dbraw/zinc/54/80/89/582548089.db2.gz ODMYNXWMUAWPSI-UHFFFAOYSA-N 0 0 245.756 3.990 10 0 BHAERN Cc1ccoc1CSc1cc(Cl)ccn1 ZINC000757166051 582548149 /nfs/dbraw/zinc/54/81/49/582548149.db2.gz ODYOANXNUIKARV-UHFFFAOYSA-N 0 0 239.727 3.929 10 0 BHAERN O=Cc1ccc(SCc2ccc(Cl)o2)o1 ZINC000757166373 582547726 /nfs/dbraw/zinc/54/77/26/582547726.db2.gz UBLFURHSYISQPP-UHFFFAOYSA-N 0 0 242.683 3.631 10 0 BHAERN OCCCCCCSCc1ccc(Cl)o1 ZINC000757166400 582547785 /nfs/dbraw/zinc/54/77/85/582547785.db2.gz ULSIDCPBQZWFCR-UHFFFAOYSA-N 0 0 248.775 3.719 10 0 BHAERN CC(=O)CCCCSCc1ccc(Cl)o1 ZINC000757166490 582547676 /nfs/dbraw/zinc/54/76/76/582547676.db2.gz WACUCQYDGHFUIP-UHFFFAOYSA-N 0 0 246.759 3.926 10 0 BHAERN CCC(O)(CC)CSCc1ccc(Cl)o1 ZINC000757166521 582547811 /nfs/dbraw/zinc/54/78/11/582547811.db2.gz WHQJRAXXOAEZGS-UHFFFAOYSA-N 0 0 248.775 3.717 10 0 BHAERN Cc1ccoc1CSc1csc(C=O)c1 ZINC000757166779 586432692 /nfs/dbraw/zinc/43/26/92/586432692.db2.gz RYVHXGOMPPLBGF-UHFFFAOYSA-N 0 0 238.333 3.754 10 0 BHAERN CC(C)[C@](C)(O)CSCc1ccc(Cl)o1 ZINC000757166797 586432689 /nfs/dbraw/zinc/43/26/89/586432689.db2.gz WTEQYKFMKOKHDA-LLVKDONJSA-N 0 0 248.775 3.573 10 0 BHAERN CC(C)[C@@](C)(O)CSCc1ccc(Cl)o1 ZINC000757166805 586432669 /nfs/dbraw/zinc/43/26/69/586432669.db2.gz WTEQYKFMKOKHDA-NSHDSACASA-N 0 0 248.775 3.573 10 0 BHAERN Nc1ccccc1SCc1ccc(Cl)o1 ZINC000757166831 582548067 /nfs/dbraw/zinc/54/80/67/582548067.db2.gz WWVOMOOMGBLJLL-UHFFFAOYSA-N 0 0 239.727 3.808 10 0 BHAERN CC(C)(C)C(=O)CSCc1ccc(Cl)o1 ZINC000757167046 582547427 /nfs/dbraw/zinc/54/74/27/582547427.db2.gz ZNRPSCIFYSIQTB-UHFFFAOYSA-N 0 0 246.759 3.781 10 0 BHAERN CCC(=O)CCCSCc1ccc(Cl)o1 ZINC000757167139 586432716 /nfs/dbraw/zinc/43/27/16/586432716.db2.gz ZWIGJLBFNHPFTR-UHFFFAOYSA-N 0 0 246.759 3.926 10 0 BHAERN Cc1ccoc1CSc1cccc(Cl)n1 ZINC000757167403 582548731 /nfs/dbraw/zinc/54/87/31/582548731.db2.gz WMFRRXRDEBFUNV-UHFFFAOYSA-N 0 0 239.727 3.929 10 0 BHAERN Cc1ccoc1CSc1ccnc(Cl)c1 ZINC000757167582 582548868 /nfs/dbraw/zinc/54/88/68/582548868.db2.gz XGLVGEBJWPYZBF-UHFFFAOYSA-N 0 0 239.727 3.929 10 0 BHAERN CC[C@@H](SCc1ccc(Cl)o1)C(C)=O ZINC000757168577 582549535 /nfs/dbraw/zinc/54/95/35/582549535.db2.gz CERZUYLIYGTSIM-SECBINFHSA-N 0 0 232.732 3.534 10 0 BHAERN CC[C@H](SCc1ccc(Cl)o1)C(C)=O ZINC000757168583 582549439 /nfs/dbraw/zinc/54/94/39/582549439.db2.gz CERZUYLIYGTSIM-VIFPVBQESA-N 0 0 232.732 3.534 10 0 BHAERN Fc1cccc(SCc2ccc(Cl)o2)n1 ZINC000757169023 582549421 /nfs/dbraw/zinc/54/94/21/582549421.db2.gz FIRKUUHPFHWXDA-UHFFFAOYSA-N 0 0 243.690 3.759 10 0 BHAERN Fc1cc(SCc2ccc(Cl)o2)ccn1 ZINC000757170499 586433189 /nfs/dbraw/zinc/43/31/89/586433189.db2.gz PRWLUMSZNHLWIB-UHFFFAOYSA-N 0 0 243.690 3.759 10 0 BHAERN C[C@H]1CC[C@H](C)/C(=C/C(=O)OC(C)(C)C)C1 ZINC000757183777 586434061 /nfs/dbraw/zinc/43/40/61/586434061.db2.gz GRYDTNOETZZGKM-MBTLQNOZSA-N 0 0 224.344 3.711 10 0 BHAERN C[C@@H]1CC[C@H](C)C/C1=C\C(=O)OC(C)(C)C ZINC000757183779 586433913 /nfs/dbraw/zinc/43/39/13/586433913.db2.gz GRYDTNOETZZGKM-OTLCKXBVSA-N 0 0 224.344 3.711 10 0 BHAERN Cc1cccc2c1C(=O)CCC21CCCC1 ZINC000757185508 586433915 /nfs/dbraw/zinc/43/39/15/586433915.db2.gz ALPIFIUNRYCJOC-UHFFFAOYSA-N 0 0 214.308 3.783 10 0 BHAERN O=C1CCC2(CCCC2)c2cc(F)ccc21 ZINC000757185535 582554353 /nfs/dbraw/zinc/55/43/53/582554353.db2.gz AWWZRRPHGGIVNV-UHFFFAOYSA-N 0 0 218.271 3.614 10 0 BHAERN O=C1CCC2(CCCC2)c2cc(F)cc(F)c21 ZINC000757185575 586433862 /nfs/dbraw/zinc/43/38/62/586433862.db2.gz BKWLNPAKSICVCQ-UHFFFAOYSA-N 0 0 236.261 3.753 10 0 BHAERN Cc1ccc2c(c1)C1(CCCC1)CCC2=O ZINC000757185577 586434178 /nfs/dbraw/zinc/43/41/78/586434178.db2.gz BMDZRYZSSXPYBZ-UHFFFAOYSA-N 0 0 214.308 3.783 10 0 BHAERN Cc1ccc(F)c2c1C1(CCCC1)CCC2=O ZINC000757186494 586434531 /nfs/dbraw/zinc/43/45/31/586434531.db2.gz IDKQTYDDZFNSSU-UHFFFAOYSA-N 0 0 232.298 3.922 10 0 BHAERN O=C1CCC2(CC2)c2cc(C(F)(F)F)ccc21 ZINC000757186518 582555436 /nfs/dbraw/zinc/55/54/36/582555436.db2.gz IMMNBUICCWJZQR-UHFFFAOYSA-N 0 0 240.224 3.714 10 0 BHAERN CCC1(CC)CCC(=O)c2ccc(N(C)C)cc21 ZINC000757186620 582555408 /nfs/dbraw/zinc/55/54/08/582555408.db2.gz JKUYXPRJEQKOKB-UHFFFAOYSA-N 0 0 245.366 3.787 10 0 BHAERN CCc1ccc2c(c1)C1(CCC1)CCC2=O ZINC000757187216 586434441 /nfs/dbraw/zinc/43/44/41/586434441.db2.gz KPJUBMQKQXSYQN-UHFFFAOYSA-N 0 0 214.308 3.647 10 0 BHAERN CC1(C)CCC(=O)c2c(Cl)cccc21 ZINC000757187608 582555117 /nfs/dbraw/zinc/55/51/17/582555117.db2.gz KHIQRSKYKHHJCE-UHFFFAOYSA-N 0 0 208.688 3.594 10 0 BHAERN O=C1CCC2(CCCC2)c2c(F)cc(F)cc21 ZINC000757187749 586434889 /nfs/dbraw/zinc/43/48/89/586434889.db2.gz LFHFPKMDFRHMGV-UHFFFAOYSA-N 0 0 236.261 3.753 10 0 BHAERN CCN(CC)c1ccc2c(c1)C1(CC1)CCC2=O ZINC000757188186 586435043 /nfs/dbraw/zinc/43/50/43/586435043.db2.gz NBWLTDPSINZQIZ-UHFFFAOYSA-N 0 0 243.350 3.541 10 0 BHAERN CCOC(=O)/C=C(/C)c1csc2ccccc12 ZINC000757188413 586435251 /nfs/dbraw/zinc/43/52/51/586435251.db2.gz AVTCQTZMFFDQDR-NTMALXAHSA-N 0 0 246.331 3.868 10 0 BHAERN CCCc1ccc(/C(C)=C/C(=O)OCC)cc1 ZINC000757188439 586434980 /nfs/dbraw/zinc/43/49/80/586434980.db2.gz AWJNTJFFZITHFM-VAWYXSNFSA-N 0 0 232.323 3.606 10 0 BHAERN CCOC(=O)/C=C(/C)c1cc2ccccc2s1 ZINC000757188494 582556015 /nfs/dbraw/zinc/55/60/15/582556015.db2.gz BUKBIVSYFAUFOY-NTMALXAHSA-N 0 0 246.331 3.868 10 0 BHAERN O=Cc1cc(Cl)cc(-c2ccccc2)c1 ZINC000757188511 582555960 /nfs/dbraw/zinc/55/59/60/582555960.db2.gz FSEPYLXAHIQYPM-UHFFFAOYSA-N 0 0 216.667 3.820 10 0 BHAERN CCC1(CC)CCC(=O)c2ccc(F)cc21 ZINC000757188838 586435092 /nfs/dbraw/zinc/43/50/92/586435092.db2.gz OKYNNVMKSKKSEF-UHFFFAOYSA-N 0 0 220.287 3.860 10 0 BHAERN CC(C)Oc1cc(C=O)cc(-c2ccccc2)c1 ZINC000757188943 586435015 /nfs/dbraw/zinc/43/50/15/586435015.db2.gz OTEYMUCFBMFKEM-UHFFFAOYSA-N 0 0 240.302 3.953 10 0 BHAERN CCC1(CC)CCC(=O)c2cc(F)cc(F)c21 ZINC000757189302 582555954 /nfs/dbraw/zinc/55/59/54/582555954.db2.gz QBPDGPWWNUAPQU-UHFFFAOYSA-N 0 0 238.277 3.999 10 0 BHAERN Cc1cc(F)cc2c1C(=O)CCC21CCC1 ZINC000757189392 586435174 /nfs/dbraw/zinc/43/51/74/586435174.db2.gz QSALWEYMTQUJLM-UHFFFAOYSA-N 0 0 218.271 3.532 10 0 BHAERN C[C@@H]1CCC(=O)c2c(Br)cccc21 ZINC000757189521 582555977 /nfs/dbraw/zinc/55/59/77/582555977.db2.gz OGTDAYBPFPKNDO-SSDOTTSWSA-N 0 0 239.112 3.529 10 0 BHAERN C[C@H]1CCC(=O)c2c(Br)cccc21 ZINC000757189528 582556106 /nfs/dbraw/zinc/55/61/06/582556106.db2.gz OGTDAYBPFPKNDO-ZETCQYMHSA-N 0 0 239.112 3.529 10 0 BHAERN CCOC(=O)/C=C(/C)C1C2CC3CC(C2)CC1C3 ZINC000757189829 586435622 /nfs/dbraw/zinc/43/56/22/586435622.db2.gz IHYHAFHSYJRVKZ-WMZJFQQLSA-N 0 0 248.366 3.568 10 0 BHAERN CCC1(CC)CCC(=O)c2c(F)cc(F)cc21 ZINC000757190119 582556165 /nfs/dbraw/zinc/55/61/65/582556165.db2.gz UCIKYDRHCCHDDD-UHFFFAOYSA-N 0 0 238.277 3.999 10 0 BHAERN O=C1CCC2(CCCC2)c2cccc(F)c21 ZINC000757190415 586435356 /nfs/dbraw/zinc/43/53/56/586435356.db2.gz WKWZPSDMAUYRNO-UHFFFAOYSA-N 0 0 218.271 3.614 10 0 BHAERN CN(C)c1ccc2c(c1)C1(CCCC1)CCC2=O ZINC000757190418 586435510 /nfs/dbraw/zinc/43/55/10/586435510.db2.gz WOJYMPVBSWSLPB-UHFFFAOYSA-N 0 0 243.350 3.541 10 0 BHAERN CCN(CC)c1ccc2c(c1)C(C)(C)CCC2=O ZINC000757190618 586435442 /nfs/dbraw/zinc/43/54/42/586435442.db2.gz RIUCDZOOGRDFDR-UHFFFAOYSA-N 0 0 245.366 3.787 10 0 BHAERN COC(=O)/C=C1\CC(C)(C)CCc2ccccc21 ZINC000757190720 643363356 /nfs/dbraw/zinc/36/33/56/643363356.db2.gz CLEAEBBLHHGEJE-JLHYYAGUSA-N 0 0 244.334 3.606 10 0 BHAERN Cc1ccc(F)c2c1C1(CCC1)CCC2=O ZINC000757190969 586435470 /nfs/dbraw/zinc/43/54/70/586435470.db2.gz ZYKVDTXVPVCYEH-UHFFFAOYSA-N 0 0 218.271 3.532 10 0 BHAERN C[C@@H]1CCC(=O)c2ccc(Br)cc21 ZINC000757191512 582556582 /nfs/dbraw/zinc/55/65/82/582556582.db2.gz SANXAFLHKFYVIT-SSDOTTSWSA-N 0 0 239.112 3.529 10 0 BHAERN C[C@H]1CCC(=O)c2ccc(Br)cc21 ZINC000757191515 582556394 /nfs/dbraw/zinc/55/63/94/582556394.db2.gz SANXAFLHKFYVIT-ZETCQYMHSA-N 0 0 239.112 3.529 10 0 BHAERN CC(C)c1ccc2c(c1)[C@@H](C)CCC2=O ZINC000757191531 586436022 /nfs/dbraw/zinc/43/60/22/586436022.db2.gz SDNMRFXPPXVXMF-JTQLQIEISA-N 0 0 202.297 3.890 10 0 BHAERN CC(C)c1ccc2c(c1)[C@H](C)CCC2=O ZINC000757191533 586435825 /nfs/dbraw/zinc/43/58/25/586435825.db2.gz SDNMRFXPPXVXMF-SNVBAGLBSA-N 0 0 202.297 3.890 10 0 BHAERN CCOC(=O)/C=C(\C)c1ccc(C(C)C)cc1 ZINC000757191658 586436086 /nfs/dbraw/zinc/43/60/86/586436086.db2.gz QDTRHBHKENUQAK-ZRDIBKRKSA-N 0 0 232.323 3.776 10 0 BHAERN C[C@@H]1CCC(=O)c2ccc(C(F)(F)F)cc21 ZINC000757191719 586436026 /nfs/dbraw/zinc/43/60/26/586436026.db2.gz UKSMSXOIDOTELZ-SSDOTTSWSA-N 0 0 228.213 3.785 10 0 BHAERN C[C@H]1CCC(=O)c2ccc(C(F)(F)F)cc21 ZINC000757191763 582556804 /nfs/dbraw/zinc/55/68/04/582556804.db2.gz UKSMSXOIDOTELZ-ZETCQYMHSA-N 0 0 228.213 3.785 10 0 BHAERN CCOC(=O)C=C(CC(C)C)CC(C)C ZINC000757191958 582556415 /nfs/dbraw/zinc/55/64/15/582556415.db2.gz LVGPOUWOMODNLV-UHFFFAOYSA-N 0 0 212.333 3.568 10 0 BHAERN CCOC(=O)/C=C/C1CCC(C(C)C)CC1 ZINC000757192275 582556285 /nfs/dbraw/zinc/55/62/85/582556285.db2.gz XGRMEZDOXSPAOX-JXMROGBWSA-N 0 0 224.344 3.568 10 0 BHAERN CC1(C)CCC(=O)c2ccc(C(F)(F)F)cc21 ZINC000757192983 643364331 /nfs/dbraw/zinc/36/43/31/643364331.db2.gz XTOOVMUOWPBEFY-UHFFFAOYSA-N 0 0 242.240 3.960 10 0 BHAERN FC(F)c1ccccc1-c1nsc(Cl)n1 ZINC000757194102 582558061 /nfs/dbraw/zinc/55/80/61/582558061.db2.gz AKCZPVNXOMXKRJ-UHFFFAOYSA-N 0 0 246.669 3.796 10 0 BHAERN FC(F)c1cccc(-c2nsc(Cl)n2)c1 ZINC000757194552 586436243 /nfs/dbraw/zinc/43/62/43/586436243.db2.gz DJUGKUKQKKMRPK-UHFFFAOYSA-N 0 0 246.669 3.796 10 0 BHAERN CC1(C)CC2(CCCC2=O)CC(C)(C)C1 ZINC000757195198 582557945 /nfs/dbraw/zinc/55/79/45/582557945.db2.gz HTOQIWSLGCSWHE-UHFFFAOYSA-N 0 0 208.345 3.962 10 0 BHAERN FC(F)c1ccc(-c2nsc(Cl)n2)cc1 ZINC000757196256 643366056 /nfs/dbraw/zinc/36/60/56/643366056.db2.gz ULRZNKPLAVKUAU-UHFFFAOYSA-N 0 0 246.669 3.796 10 0 BHAERN Cc1cncc(SCC(=O)C2CCCCC2)c1 ZINC000757207719 582559147 /nfs/dbraw/zinc/55/91/47/582559147.db2.gz CCQFDSOZKRORNW-UHFFFAOYSA-N 0 0 249.379 3.632 10 0 BHAERN c1cc([C@H]2CCNc3ccccc32)cs1 ZINC000757209778 582560016 /nfs/dbraw/zinc/56/00/16/582560016.db2.gz CMJZCTGJLKSFPM-LLVKDONJSA-N 0 0 215.321 3.696 10 0 BHAERN c1cc([C@@H]2CCNc3ccccc32)cs1 ZINC000757209779 582560245 /nfs/dbraw/zinc/56/02/45/582560245.db2.gz CMJZCTGJLKSFPM-NSHDSACASA-N 0 0 215.321 3.696 10 0 BHAERN CCC(=O)CCCSc1cncc(C2CC2)c1 ZINC000757210965 586438880 /nfs/dbraw/zinc/43/88/80/586438880.db2.gz IFIRWCZCXGXNGU-UHFFFAOYSA-N 0 0 249.379 3.810 10 0 BHAERN CC(C)(C)C(=O)CSc1cncc(C2CC2)c1 ZINC000757213128 586437218 /nfs/dbraw/zinc/43/72/18/586437218.db2.gz OFVCISAOBXODJQ-UHFFFAOYSA-N 0 0 249.379 3.666 10 0 BHAERN CCCC(=O)CSc1cncc(C(C)C)c1 ZINC000757213160 586439358 /nfs/dbraw/zinc/43/93/58/586439358.db2.gz OLNXZILNLLJMHC-UHFFFAOYSA-N 0 0 237.368 3.666 10 0 BHAERN CC(C)CC(=O)CSc1cncc(C2CC2)c1 ZINC000757213234 586439635 /nfs/dbraw/zinc/43/96/35/586439635.db2.gz PIJXSYCJUFMKPB-UHFFFAOYSA-N 0 0 249.379 3.666 10 0 BHAERN CC(C)c1cncc(SCC(=O)[C@H]2C[C@@H]2C)c1 ZINC000757213589 586439989 /nfs/dbraw/zinc/43/99/89/586439989.db2.gz PZPMSFIGSDVUHV-GWCFXTLKSA-N 0 0 249.379 3.522 10 0 BHAERN CC(C)c1cncc(SCC(=O)[C@@H]2C[C@@H]2C)c1 ZINC000757213590 586439873 /nfs/dbraw/zinc/43/98/73/586439873.db2.gz PZPMSFIGSDVUHV-GXFFZTMASA-N 0 0 249.379 3.522 10 0 BHAERN CC(C)c1cncc(SCC(=O)[C@H]2C[C@H]2C)c1 ZINC000757213592 586439805 /nfs/dbraw/zinc/43/98/05/586439805.db2.gz PZPMSFIGSDVUHV-MFKMUULPSA-N 0 0 249.379 3.522 10 0 BHAERN CC(C)c1cncc(SCC(=O)[C@@H]2C[C@H]2C)c1 ZINC000757213593 586439825 /nfs/dbraw/zinc/43/98/25/586439825.db2.gz PZPMSFIGSDVUHV-ZWNOBZJWSA-N 0 0 249.379 3.522 10 0 BHAERN O=Cc1ccc([C@@H]2CCNc3ccccc32)s1 ZINC000757217760 586441828 /nfs/dbraw/zinc/44/18/28/586441828.db2.gz SGZARQDQPCZGPU-GFCCVEGCSA-N 0 0 243.331 3.508 10 0 BHAERN O=Cc1ccc([C@H]2CCNc3ccccc32)s1 ZINC000757217763 586441738 /nfs/dbraw/zinc/44/17/38/586441738.db2.gz SGZARQDQPCZGPU-LBPRGKRZSA-N 0 0 243.331 3.508 10 0 BHAERN Cc1ccc(N)cc1[C@@H]1CCNc2ccccc21 ZINC000757242463 644865820 /nfs/dbraw/zinc/86/58/20/644865820.db2.gz YPVYCJYSYZDMJS-CYBMUJFWSA-N 0 0 238.334 3.525 10 0 BHAERN Cc1ccc(N)cc1[C@H]1CCNc2ccccc21 ZINC000757242470 644865781 /nfs/dbraw/zinc/86/57/81/644865781.db2.gz YPVYCJYSYZDMJS-ZDUSSCGKSA-N 0 0 238.334 3.525 10 0 BHAERN FC(F)(Cl)c1ncc(C2=CCCCC2)cn1 ZINC000757564983 586461236 /nfs/dbraw/zinc/46/12/36/586461236.db2.gz FSVMUZJMERLDKH-UHFFFAOYSA-N 0 0 244.672 3.722 10 0 BHAERN CCOc1cccc(-c2ccc(C=O)cc2)c1F ZINC000757565267 586461098 /nfs/dbraw/zinc/46/10/98/586461098.db2.gz AJPVNGSREAVDKO-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN COc1ccc(-c2csc(C)c2)c(F)c1 ZINC000757565658 586461199 /nfs/dbraw/zinc/46/11/99/586461199.db2.gz GPEHRDXLTDLULA-UHFFFAOYSA-N 0 0 222.284 3.871 10 0 BHAERN CCOc1cccc(-c2ccccc2C=O)c1F ZINC000757565687 586461671 /nfs/dbraw/zinc/46/16/71/586461671.db2.gz GVLXPCQQRZGSJE-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN CCOc1cc(F)ccc1-c1ccccc1C=O ZINC000757565727 586461799 /nfs/dbraw/zinc/46/17/99/586461799.db2.gz HGGOXAWDOBZOCT-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN O=Cc1ccccc1-c1cccc2cc[nH]c21 ZINC000757565753 586461751 /nfs/dbraw/zinc/46/17/51/586461751.db2.gz BESVIZGKTJDRKE-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN Cc1ccc(C2=CCCCC2)c2c1NCC2 ZINC000757565840 586461526 /nfs/dbraw/zinc/46/15/26/586461526.db2.gz IYIPYLZDRFQXEE-UHFFFAOYSA-N 0 0 213.324 3.920 10 0 BHAERN CCC[C@H](C)c1nc2[nH]ccc2c(NC(C)C)n1 ZINC000757566023 586305195 /nfs/dbraw/zinc/30/51/95/586305195.db2.gz JZFFRYLVFQQLSM-JTQLQIEISA-N 0 0 246.358 3.682 10 0 BHAERN CCC[C@@H](C)c1nc2[nH]ccc2c(NC(C)C)n1 ZINC000757566026 586305159 /nfs/dbraw/zinc/30/51/59/586305159.db2.gz JZFFRYLVFQQLSM-SNVBAGLBSA-N 0 0 246.358 3.682 10 0 BHAERN CC(C)=C(C)c1cc2n[nH]cc2cc1C ZINC000757566079 586305532 /nfs/dbraw/zinc/30/55/32/586305532.db2.gz KDYBRJGHESXDAS-UHFFFAOYSA-N 0 0 200.285 3.685 10 0 BHAERN Cc1cc2c[nH]nc2cc1-c1ccc(F)c(F)c1 ZINC000757566552 586461780 /nfs/dbraw/zinc/46/17/80/586461780.db2.gz JUPVJOLVARTTEM-UHFFFAOYSA-N 0 0 244.244 3.817 10 0 BHAERN Cc1cc2c[nH]nc2cc1-c1ccc(F)cc1 ZINC000757566591 586461729 /nfs/dbraw/zinc/46/17/29/586461729.db2.gz KCWHYMRRZNUKCU-UHFFFAOYSA-N 0 0 226.254 3.677 10 0 BHAERN Cc1ccc(-c2csc(C=O)c2)c(F)c1 ZINC000757566711 586461534 /nfs/dbraw/zinc/46/15/34/586461534.db2.gz LHLYDIZVLZOXAT-UHFFFAOYSA-N 0 0 220.268 3.675 10 0 BHAERN CCOc1cc(F)ccc1-c1cccc(C=O)c1 ZINC000757566723 586461515 /nfs/dbraw/zinc/46/15/15/586461515.db2.gz LKKOEYWWZBLHGL-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN Fc1ccc(Br)cc1-c1ccoc1 ZINC000757566730 586461726 /nfs/dbraw/zinc/46/17/26/586461726.db2.gz LVODUGZWVBZSFJ-UHFFFAOYSA-N 0 0 241.059 3.848 10 0 BHAERN CCOc1cccc(-c2ccc(C)c(N)c2)c1F ZINC000757566731 586461788 /nfs/dbraw/zinc/46/17/88/586461788.db2.gz LWLSJQQSBZGWAE-UHFFFAOYSA-N 0 0 245.297 3.782 10 0 BHAERN Cc1nn(C)c2sc(-c3cccc(F)c3)cc12 ZINC000757566734 586461809 /nfs/dbraw/zinc/46/18/09/586461809.db2.gz LZCFNTLXZHACGW-UHFFFAOYSA-N 0 0 246.310 3.749 10 0 BHAERN Cc1nn(C)c2sc(-c3ccc(F)cc3)cc12 ZINC000757566737 586461537 /nfs/dbraw/zinc/46/15/37/586461537.db2.gz MBTDZFSYTMGKQG-UHFFFAOYSA-N 0 0 246.310 3.749 10 0 BHAERN CCOc1cc(F)ccc1-c1cccs1 ZINC000757566763 586306044 /nfs/dbraw/zinc/30/60/44/586306044.db2.gz NQRLDFVDVKCXML-UHFFFAOYSA-N 0 0 222.284 3.953 10 0 BHAERN O=Cc1ccc(-c2cccc3cc[nH]c32)s1 ZINC000757567329 586461547 /nfs/dbraw/zinc/46/15/47/586461547.db2.gz HYIZDYTZQLLPFU-UHFFFAOYSA-N 0 0 227.288 3.709 10 0 BHAERN CCOc1cccc(-c2cccs2)c1F ZINC000757567366 586309699 /nfs/dbraw/zinc/30/96/99/586309699.db2.gz QSIQPBHXAAQPJW-UHFFFAOYSA-N 0 0 222.284 3.953 10 0 BHAERN CC(C)=C(C)c1c2c[nH]nc2ccc1C ZINC000757567408 586310258 /nfs/dbraw/zinc/31/02/58/586310258.db2.gz OBCKETGCJMQPBI-UHFFFAOYSA-N 0 0 200.285 3.685 10 0 BHAERN COc1ccc(-c2cccs2)c(F)c1 ZINC000757567517 586462064 /nfs/dbraw/zinc/46/20/64/586462064.db2.gz URRLQVUFWQOERK-UHFFFAOYSA-N 0 0 208.257 3.563 10 0 BHAERN CCOc1cccc(-c2cccc(C=O)c2)c1F ZINC000757567521 586461959 /nfs/dbraw/zinc/46/19/59/586461959.db2.gz UYEPNFJFGUMDCM-UHFFFAOYSA-N 0 0 244.265 3.704 10 0 BHAERN Cc1cc2c[nH]nc2cc1-c1cccc(F)c1 ZINC000757567570 586461928 /nfs/dbraw/zinc/46/19/28/586461928.db2.gz WIDIUBLWEBACCV-UHFFFAOYSA-N 0 0 226.254 3.677 10 0 BHAERN COc1cccc(-c2csc(C)c2)c1F ZINC000757568029 585342392 /nfs/dbraw/zinc/34/23/92/585342392.db2.gz ZEVQOWBWUXLMSV-UHFFFAOYSA-N 0 0 222.284 3.871 10 0 BHAERN CC1(c2ccc(-c3ccc(C=O)nc3)cc2)CC1 ZINC000757568382 586462043 /nfs/dbraw/zinc/46/20/43/586462043.db2.gz LZQDVGCDKPNFPT-UHFFFAOYSA-N 0 0 237.302 3.613 10 0 BHAERN COc1ccc(-c2csc(C)c2)cc1F ZINC000757568796 586462070 /nfs/dbraw/zinc/46/20/70/586462070.db2.gz NMMWOAZCSROFIQ-UHFFFAOYSA-N 0 0 222.284 3.871 10 0 BHAERN O=Cc1cccc(-c2cccc3cc[nH]c32)c1 ZINC000757568860 586357974 /nfs/dbraw/zinc/35/79/74/586357974.db2.gz OSYNWWXIBQODQU-UHFFFAOYSA-N 0 0 221.259 3.647 10 0 BHAERN CC1(c2ccc(-c3cccc(N)c3)cc2)CC1 ZINC000757568917 586462173 /nfs/dbraw/zinc/46/21/73/586462173.db2.gz QOTLGZYRBUMNIZ-UHFFFAOYSA-N 0 0 223.319 3.987 10 0 BHAERN CC1(c2ccc(-c3ccc(N)cc3)cc2)CC1 ZINC000757568974 586462010 /nfs/dbraw/zinc/46/20/10/586462010.db2.gz RLUFGIJFHCBSOI-UHFFFAOYSA-N 0 0 223.319 3.987 10 0 BHAERN CCc1nn(C)c(CC)c1C1=CCCCC1 ZINC000757569014 586462146 /nfs/dbraw/zinc/46/21/46/586462146.db2.gz UTQQKWAWHONPNV-UHFFFAOYSA-N 0 0 218.344 3.502 10 0 BHAERN CC1(c2ccc(-c3ccc(C=O)o3)cc2)CC1 ZINC000757569033 586462693 /nfs/dbraw/zinc/46/26/93/586462693.db2.gz RZLFXQANCSBIQF-UHFFFAOYSA-N 0 0 226.275 3.811 10 0 BHAERN O=Cc1cc(-c2cccc3cc[nH]c32)cs1 ZINC000757569394 586462396 /nfs/dbraw/zinc/46/23/96/586462396.db2.gz SVJAOJKRDZTGPT-UHFFFAOYSA-N 0 0 227.288 3.709 10 0 BHAERN CC1(c2ccc(-c3ccc(C=O)cn3)cc2)CC1 ZINC000757569924 586462695 /nfs/dbraw/zinc/46/26/95/586462695.db2.gz XPIKCKVPWZTQAC-UHFFFAOYSA-N 0 0 237.302 3.613 10 0 BHAERN CC1(c2ccc(C3=CCOCC3)cc2)CC1 ZINC000757571029 586462423 /nfs/dbraw/zinc/46/24/23/586462423.db2.gz IAOKHIZXXULXFY-UHFFFAOYSA-N 0 0 214.308 3.542 10 0 BHAERN CC1(c2ccccc2C2=CCOCC2)CC1 ZINC000757571568 586462406 /nfs/dbraw/zinc/46/24/06/586462406.db2.gz LMFIQCNRMGULGF-UHFFFAOYSA-N 0 0 214.308 3.542 10 0 BHAERN CCc1nn(C)c(CC)c1-c1ccc(C)cc1F ZINC000757572409 586462808 /nfs/dbraw/zinc/46/28/08/586462808.db2.gz QXPHHDVFLUGZLT-UHFFFAOYSA-N 0 0 246.329 3.659 10 0 BHAERN CC1(c2ccc(-c3ccc(Cl)nn3)cc2)CC1 ZINC000757572688 586463036 /nfs/dbraw/zinc/46/30/36/586463036.db2.gz SSGQXPZSWUIMMI-UHFFFAOYSA-N 0 0 244.725 3.849 10 0 BHAERN CC(C)=C(C)c1cc2c(C)nn(C)c2s1 ZINC000757572812 586382099 /nfs/dbraw/zinc/38/20/99/586382099.db2.gz UFRBFNDCNAXMBZ-UHFFFAOYSA-N 0 0 220.341 3.757 10 0 BHAERN CC1(c2ccc(-c3ncc(F)cc3N)cc2)CC1 ZINC000757573062 586382717 /nfs/dbraw/zinc/38/27/17/586382717.db2.gz XAKULUAELGMEFM-UHFFFAOYSA-N 0 0 242.297 3.521 10 0 BHAERN CC1(c2cccc(C3=CCOCC3)c2)CC1 ZINC000757573848 586382515 /nfs/dbraw/zinc/38/25/15/586382515.db2.gz ZDYXGSAECSDMTM-UHFFFAOYSA-N 0 0 214.308 3.542 10 0 BHAERN C/C=C/C=C\C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000913228838 640341961 /nfs/dbraw/zinc/34/19/61/640341961.db2.gz DFIIHJVKKLJWAW-DTIHGJCLSA-N 0 0 243.350 3.559 10 0 BHAERN C/C=C/C=C\C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000913228839 640341486 /nfs/dbraw/zinc/34/14/86/640341486.db2.gz DFIIHJVKKLJWAW-LTXJWVIVSA-N 0 0 243.350 3.559 10 0 BHAERN Fc1ccnn1-c1ccc(-c2ccccc2)cc1 ZINC000950757245 712726368 /nfs/dbraw/zinc/72/63/68/712726368.db2.gz KYPIZDCRZFSHCK-UHFFFAOYSA-N 0 0 238.265 3.678 10 0 BHAERN