smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(/C=C/c2cccs2)cc(C)c1O ZINC000000004311 177698428 /nfs/dbraw/zinc/69/84/28/177698428.db2.gz CUTHZVKEIWXBMP-AATRIKPKSA-N 0 0 230.332 4.241 10 0 BIAERN Cc1cc(/C=C/c2ccc(F)cc2)cc(C)c1O ZINC000000010998 342669710 /nfs/dbraw/zinc/66/97/10/342669710.db2.gz HJGJDFXTHQBVNV-ONEGZZNKSA-N 0 0 242.293 4.319 10 0 in-man BIAERN COc1ccc(-c2csc(=S)s2)cc1 ZINC000000011241 175037711 /nfs/dbraw/zinc/03/77/11/175037711.db2.gz OGSDFCMNHUIEGW-UHFFFAOYSA-N 0 0 240.374 4.215 10 0 BIAERN Cc1ccccc1CNc1nccc2ccccc21 ZINC000000013165 179285548 /nfs/dbraw/zinc/28/55/48/179285548.db2.gz QBXRGTFBHXSOGC-UHFFFAOYSA-N 0 0 248.329 4.155 10 0 BIAERN C[C@H](Nc1nccc2ccccc21)c1ccccc1 ZINC000000013169 368475931 /nfs/dbraw/zinc/47/59/31/368475931.db2.gz FNOOJFVSODXSTH-ZDUSSCGKSA-N 0 0 248.329 4.408 10 0 BIAERN Cc1cccc2c1ccnc2OCc1ccccc1 ZINC000000023556 179211698 /nfs/dbraw/zinc/21/16/98/179211698.db2.gz AQSLENDMHNYVLW-UHFFFAOYSA-N 0 0 249.313 4.122 10 0 BIAERN Nc1ccc(-c2cc3cc(Cl)ccc3o2)cc1 ZINC000000073804 181693640 /nfs/dbraw/zinc/69/36/40/181693640.db2.gz LMYHEZAAULBYAQ-UHFFFAOYSA-N 0 0 243.693 4.335 10 0 BIAERN Cc1nc2ccc(SC(F)(F)F)cc2s1 ZINC000000086634 180096510 /nfs/dbraw/zinc/09/65/10/180096510.db2.gz XTIWATOIDXLFQV-UHFFFAOYSA-N 0 0 249.282 4.217 10 0 BIAERN Clc1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000000162177 342678318 /nfs/dbraw/zinc/67/83/18/342678318.db2.gz YOTVMUGBFWLTAS-MRVPVSSYSA-N 0 0 221.514 4.001 10 0 BIAERN Clc1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000000162178 342678281 /nfs/dbraw/zinc/67/82/81/342678281.db2.gz YOTVMUGBFWLTAS-QMMMGPOBSA-N 0 0 221.514 4.001 10 0 BIAERN Brc1csc(-c2ccsc2)c1 ZINC000000334033 166106216 /nfs/dbraw/zinc/10/62/16/166106216.db2.gz OVFYCHJDUISQTN-UHFFFAOYSA-N 0 0 245.166 4.239 10 0 BIAERN Brc1csc(-c2ccccc2)c1 ZINC000000334053 166106140 /nfs/dbraw/zinc/10/61/40/166106140.db2.gz JJCSNFCDSZARRG-UHFFFAOYSA-N 0 0 239.137 4.178 10 0 BIAERN Cc1ccccc1Sc1nc2ccccc2[nH]1 ZINC000000351238 179315658 /nfs/dbraw/zinc/31/56/58/179315658.db2.gz IYEFOEPGHJPUMH-UHFFFAOYSA-N 0 0 240.331 4.023 10 0 BIAERN COc1ccc2cc(-c3ccccc3)oc2c1 ZINC000000481186 360560038 /nfs/dbraw/zinc/56/00/38/360560038.db2.gz QTQAUQBONUHAOC-UHFFFAOYSA-N 0 0 224.259 4.108 10 0 BIAERN COc1ccc2oc(-c3ccccc3)cc2c1 ZINC000000481187 175230738 /nfs/dbraw/zinc/23/07/38/175230738.db2.gz OMQXNJFDHXMMPE-UHFFFAOYSA-N 0 0 224.259 4.108 10 0 BIAERN COc1cc2c(c3ccccc13)OC(C)(C)C=C2 ZINC000000899613 175020591 /nfs/dbraw/zinc/02/05/91/175020591.db2.gz BFGQXXNDFKWDMA-UHFFFAOYSA-N 0 0 240.302 4.033 10 0 in-vitro BIAERN CC1=CC[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CC[C@H]3C(C)C ZINC000000968469 560180216 /nfs/dbraw/zinc/18/02/16/560180216.db2.gz VLXDPFLIRFYIME-QRTUWBSPSA-N 0 0 204.357 4.271 10 0 biogenic,in-vitro BIAERN CCC12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000001045406 168507034 /nfs/dbraw/zinc/50/70/34/168507034.db2.gz QUUCNKWMKRZRGC-ZYANWLCNSA-N 0 0 243.188 4.130 10 0 BIAERN CCCc1ccccc1-c1cccc(C=O)c1 ZINC000001257492 644184584 /nfs/dbraw/zinc/18/45/84/644184584.db2.gz ZILHLLXDIADXEV-UHFFFAOYSA-N 0 0 224.303 4.119 10 0 BIAERN CCCc1cccc(-c2ccc(C=O)cc2)c1 ZINC000001258959 169576849 /nfs/dbraw/zinc/57/68/49/169576849.db2.gz WOXGQJCQLTTWEX-UHFFFAOYSA-N 0 0 224.303 4.119 10 0 BIAERN CCCc1ccccc1-c1ccccc1C=O ZINC000001259120 592021515 /nfs/dbraw/zinc/02/15/15/592021515.db2.gz CKKJYPWCWUZGAI-UHFFFAOYSA-N 0 0 224.303 4.119 10 0 BIAERN CCCc1cccc(-c2cccc(C=O)c2)c1 ZINC000001259299 169576927 /nfs/dbraw/zinc/57/69/27/169576927.db2.gz GCEKOTAOGACDEH-UHFFFAOYSA-N 0 0 224.303 4.119 10 0 BIAERN CCCc1ccc(-c2ccc(C=O)cc2)cc1 ZINC000001260281 169568871 /nfs/dbraw/zinc/56/88/71/169568871.db2.gz UDGPSHSBKWDBIJ-UHFFFAOYSA-N 0 0 224.303 4.119 10 0 BIAERN CCCc1ccccc1-c1ccc(C=O)cc1 ZINC000001261029 644184619 /nfs/dbraw/zinc/18/46/19/644184619.db2.gz VNLVJGWNSRGBCG-UHFFFAOYSA-N 0 0 224.303 4.119 10 0 BIAERN Cc1cccc(C)c1Sc1ccccc1N ZINC000001433217 179049492 /nfs/dbraw/zinc/04/94/92/179049492.db2.gz AWCMNPKTLMOABD-UHFFFAOYSA-N 0 0 229.348 4.037 10 0 BIAERN CC1=Nc2ccccc2N[C@@H](c2ccccc2)C1 ZINC000001458839 168137592 /nfs/dbraw/zinc/13/75/92/168137592.db2.gz SIFSQAFPUJTRAI-MRXNPFEDSA-N 0 0 236.318 4.336 10 0 BIAERN CC1=Nc2ccccc2N[C@H](c2ccccc2)C1 ZINC000001458840 168137634 /nfs/dbraw/zinc/13/76/34/168137634.db2.gz SIFSQAFPUJTRAI-INIZCTEOSA-N 0 0 236.318 4.336 10 0 BIAERN Oc1c(Cc2ccccc2)ccc2ccccc21 ZINC000001485058 183253775 /nfs/dbraw/zinc/25/37/75/183253775.db2.gz CZTSOXCSVFEFIK-UHFFFAOYSA-N 0 0 234.298 4.136 10 0 BIAERN Fc1cc2cc(-c3ccccc3)[nH]c2c(F)c1 ZINC000001516739 180951678 /nfs/dbraw/zinc/95/16/78/180951678.db2.gz XCWVYPCWQXWAHR-UHFFFAOYSA-N 0 0 229.229 4.113 10 0 BIAERN Cc1ccc(C)c2[nH]c(C(C)(C)C)cc21 ZINC000001516988 178504274 /nfs/dbraw/zinc/50/42/74/178504274.db2.gz TYXQGHVBADBLPB-UHFFFAOYSA-N 0 0 201.313 4.082 10 0 BIAERN CC(C)(C)c1cc2cccc(Cl)c2[nH]1 ZINC000001517247 342702488 /nfs/dbraw/zinc/70/24/88/342702488.db2.gz YJHYQOZILASIMH-UHFFFAOYSA-N 0 0 207.704 4.119 10 0 BIAERN Fc1ccc(-c2cc3cccc(F)c3[nH]2)cc1 ZINC000001517389 180956716 /nfs/dbraw/zinc/95/67/16/180956716.db2.gz VLSNAIHZUGPQDR-UHFFFAOYSA-N 0 0 229.229 4.113 10 0 BIAERN Cc1cc2[nH]c(-c3ccccc3)cc2c(C)c1 ZINC000001517587 177885079 /nfs/dbraw/zinc/88/50/79/177885079.db2.gz KBHRIZWFEFVXIB-UHFFFAOYSA-N 0 0 221.303 4.452 10 0 BIAERN Cc1cc2[nH]c(C(C)(C)C)cc2c(C)c1 ZINC000001517666 177885193 /nfs/dbraw/zinc/88/51/93/177885193.db2.gz KRRUYVKLEGKQDS-UHFFFAOYSA-N 0 0 201.313 4.082 10 0 BIAERN Fc1cc(Cl)cc2cc(-c3cccnc3)[nH]c21 ZINC000001517946 368639578 /nfs/dbraw/zinc/63/95/78/368639578.db2.gz TXNCFVUDUWEISH-UHFFFAOYSA-N 0 0 246.672 4.022 10 0 BIAERN CC(C)(C)c1cc2cc(Cl)ccc2[nH]1 ZINC000001518067 342702455 /nfs/dbraw/zinc/70/24/55/342702455.db2.gz BPYFHRKGIPRJMY-UHFFFAOYSA-N 0 0 207.704 4.119 10 0 BIAERN Cc1ccc(-c2cc3cc(F)ccc3[nH]2)cc1 ZINC000001518174 538939371 /nfs/dbraw/zinc/93/93/71/538939371.db2.gz QYJKANJPJHCVNJ-UHFFFAOYSA-N 0 0 225.266 4.282 10 0 BIAERN Fc1ccc2[nH]c(-c3cccs3)cc2c1 ZINC000001518203 356310622 /nfs/dbraw/zinc/31/06/22/356310622.db2.gz MZQUTIWNAFIZMD-UHFFFAOYSA-N 0 0 217.268 4.036 10 0 BIAERN COc1ccc2[nH]c(C3CCCCC3)cc2c1 ZINC000001518852 187583882 /nfs/dbraw/zinc/58/38/82/187583882.db2.gz BVNKHHRXTLIXFX-UHFFFAOYSA-N 0 0 229.323 4.224 10 0 BIAERN Cc1ccc(-c2cc3ccccc3[nH]2)cc1C ZINC000001519050 178321749 /nfs/dbraw/zinc/32/17/49/178321749.db2.gz KOSCFHZWGKGAPW-UHFFFAOYSA-N 0 0 221.303 4.452 10 0 BIAERN CC(C)(C)c1cc2cc(C(F)(F)F)ccc2[nH]1 ZINC000001519596 342702534 /nfs/dbraw/zinc/70/25/34/342702534.db2.gz OXNZVNLSWNPHFY-UHFFFAOYSA-N 0 0 241.256 4.484 10 0 BIAERN Clc1ccc(Cl)c(-c2cscn2)c1 ZINC000001520215 356464819 /nfs/dbraw/zinc/46/48/19/356464819.db2.gz WURXUFSIVZTPBH-UHFFFAOYSA-N 0 0 230.119 4.117 10 0 BIAERN C/C(=C\OC=O)CCC1=C(C)CCCC1(C)C ZINC000001529408 560180940 /nfs/dbraw/zinc/18/09/40/560180940.db2.gz MJURCEOLOMHLAX-ZRDIBKRKSA-N 0 0 236.355 4.370 10 0 in-vitro BIAERN CC(C)=CCC/C(C)=C/Cc1ccc(O)cc1O ZINC000001530275 560181354 /nfs/dbraw/zinc/18/13/54/560181354.db2.gz RGUSQESFCCLNEG-NTUHNPAUSA-N 0 0 246.350 4.333 10 0 in-vitro BIAERN C[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000001557324 342702809 /nfs/dbraw/zinc/70/28/09/342702809.db2.gz YLIZKDAYWOXASN-LLVKDONJSA-N 0 0 244.721 4.326 10 0 BIAERN Clc1ccc2c(c1)Oc1ccccc1C=N2 ZINC000001566274 368648454 /nfs/dbraw/zinc/64/84/54/368648454.db2.gz AZSAEPBUDAXVHB-UHFFFAOYSA-N 0 0 229.666 4.196 10 0 BIAERN O=C1c2ccc(Cl)cc2-c2cc(Cl)ccc21 ZINC000001574356 368651075 /nfs/dbraw/zinc/65/10/75/368651075.db2.gz SQAIMUJASRQELA-UHFFFAOYSA-N 0 0 249.096 4.205 10 0 BIAERN CNc1ccc(CSc2ccc(C)cc2)cc1 ZINC000001575396 383907188 /nfs/dbraw/zinc/90/71/88/383907188.db2.gz FNGCRYAMOUMXPF-UHFFFAOYSA-N 0 0 243.375 4.329 10 0 BIAERN CCc1cc(CC)c(CC)c(CC)c1CC ZINC000001599299 346070768 /nfs/dbraw/zinc/07/07/68/346070768.db2.gz JREJWHNDQOGSQT-UHFFFAOYSA-N 0 0 218.384 4.499 10 0 BIAERN Cc1ccccc1C(=O)C(C)(C)c1ccccc1 ZINC000001600728 179245909 /nfs/dbraw/zinc/24/59/09/179245909.db2.gz KKJGFJXREQJKAI-UHFFFAOYSA-N 0 0 238.330 4.156 10 0 BIAERN CCn1cnc(-c2ccccc2)c1-c1ccccc1 ZINC000001601680 342705354 /nfs/dbraw/zinc/70/53/54/342705354.db2.gz USAZIWXOIGUZSS-UHFFFAOYSA-N 0 0 248.329 4.237 10 0 BIAERN Oc1ccc(C2CCCCC2)cc1Cl ZINC000001621239 183269169 /nfs/dbraw/zinc/26/91/69/183269169.db2.gz VVMQAIJCWNJCMK-UHFFFAOYSA-N 0 0 210.704 4.093 10 0 BIAERN O[C@@H](c1cccs1)c1cc2ccccc2s1 ZINC000001638758 183187105 /nfs/dbraw/zinc/18/71/05/183187105.db2.gz LTSRADGWEZKGIB-ZDUSSCGKSA-N 0 0 246.356 4.045 10 0 BIAERN CC(=O)c1cc2c(cc1C)[C@H](C)[C@H](C)C2(C)C ZINC000001641517 342706820 /nfs/dbraw/zinc/70/68/20/342706820.db2.gz CNISSSBCGGRYRC-MNOVXSKESA-N 0 0 230.351 4.228 10 0 BIAERN CC(=O)c1cc2c(cc1C)[C@@H](C)[C@H](C)C2(C)C ZINC000001641518 368667338 /nfs/dbraw/zinc/66/73/38/368667338.db2.gz CNISSSBCGGRYRC-QWRGUYRKSA-N 0 0 230.351 4.228 10 0 BIAERN CC(=O)c1cc2c(cc1C)[C@H](C)[C@@H](C)C2(C)C ZINC000001641519 368668436 /nfs/dbraw/zinc/66/84/36/368668436.db2.gz CNISSSBCGGRYRC-GHMZBOCLSA-N 0 0 230.351 4.228 10 0 BIAERN CC(=O)c1cc2c(cc1C)[C@@H](C)[C@@H](C)C2(C)C ZINC000001641520 368668880 /nfs/dbraw/zinc/66/88/80/368668880.db2.gz CNISSSBCGGRYRC-WDEREUQCSA-N 0 0 230.351 4.228 10 0 BIAERN C=CCCCCCCCC/C=C1\CCOC1=O ZINC000001649272 368669752 /nfs/dbraw/zinc/66/97/52/368669752.db2.gz IXYXUFDFWKKEQL-SDNWHVSQSA-N 0 0 236.355 4.167 10 0 BIAERN OC1(c2cc3ccccc3s2)CCCCC1 ZINC000001657603 183023507 /nfs/dbraw/zinc/02/35/07/183023507.db2.gz LNKGDUAAWGRNLT-UHFFFAOYSA-N 0 0 232.348 4.053 10 0 BIAERN Clc1ccc(Cc2nc3ccccc3o2)cc1 ZINC000001659636 363066343 /nfs/dbraw/zinc/06/63/43/363066343.db2.gz VMQKODHMSRWEMH-UHFFFAOYSA-N 0 0 243.693 4.072 10 0 BIAERN CC(Cc1ccccc1)Cc1ccccc1 ZINC000001664146 384918720 /nfs/dbraw/zinc/91/87/20/384918720.db2.gz LAOWWDHMKNDGNY-UHFFFAOYSA-N 0 0 210.320 4.108 10 0 BIAERN c1ccc2c(c1)C=Cc1ccccc1S2 ZINC000001674650 342708076 /nfs/dbraw/zinc/70/80/76/342708076.db2.gz KMAWVRYYKYVCNR-UHFFFAOYSA-N 0 0 210.301 4.322 10 0 BIAERN CCc1ccc2c(c1)Nc1ccccc1S2 ZINC000001678481 383921382 /nfs/dbraw/zinc/92/13/82/383921382.db2.gz GUVLXHBBADOSJP-UHFFFAOYSA-N 0 0 227.332 4.457 10 0 BIAERN Cc1ccc(C(=O)c2cccc(Cl)c2)c(C)c1 ZINC000001691204 353435710 /nfs/dbraw/zinc/43/57/10/353435710.db2.gz COFUWPXPXNYUOV-UHFFFAOYSA-N 0 0 244.721 4.188 10 0 BIAERN O=C1CCC[C@@H](c2ccccc2)c2ccccc21 ZINC000001704029 342710179 /nfs/dbraw/zinc/71/01/79/342710179.db2.gz RMVRNGHNHSPNJE-AWEZNQCLSA-N 0 0 236.314 4.185 10 0 BIAERN C=COc1c(Cl)cc(Cl)cc1Cl ZINC000001740349 187584403 /nfs/dbraw/zinc/58/44/03/187584403.db2.gz FATLQQJLCOVRLC-UHFFFAOYSA-N 0 0 223.486 4.169 10 0 BIAERN CC(C)(C)c1cccc(-c2ccccc2)c1O ZINC000001841249 187245101 /nfs/dbraw/zinc/24/51/01/187245101.db2.gz HXVMQDBXJZKLEV-UHFFFAOYSA-N 0 0 226.319 4.357 10 0 BIAERN COC1(OC)CCCCCCCCCCC1 ZINC000001845457 174009153 /nfs/dbraw/zinc/00/91/53/174009153.db2.gz XXNCXSHVDVCRKB-UHFFFAOYSA-N 0 0 228.376 4.280 10 0 BIAERN C1COC2(CCCCCCCCCCC2)O1 ZINC000001845864 359633492 /nfs/dbraw/zinc/63/34/92/359633492.db2.gz BMFLFTKDKRUVMF-UHFFFAOYSA-N 0 0 226.360 4.034 10 0 BIAERN CC(C)(C)CC(C)(C)c1ccccc1O ZINC000001849861 368709228 /nfs/dbraw/zinc/70/92/28/368709228.db2.gz XSXWOBXNYNULJG-UHFFFAOYSA-N 0 0 206.329 4.106 10 0 BIAERN ClC(Cl)=CC(Cl)=C(Cl)Cl ZINC000002002598 346098387 /nfs/dbraw/zinc/09/83/87/346098387.db2.gz WVFBDVFCOCLEFM-UHFFFAOYSA-N 0 0 226.317 4.191 10 0 BIAERN S=c1c2ccccc2[nH]c2c1CCCCC2 ZINC000002017188 368736303 /nfs/dbraw/zinc/73/63/03/368736303.db2.gz YBOMISGYHLRBLJ-UHFFFAOYSA-N 0 0 229.348 4.166 10 0 BIAERN CC(C)=CCC[C@H](C)[C@]1(O)CC=C(C)CC1 ZINC000002018831 187245262 /nfs/dbraw/zinc/24/52/62/187245262.db2.gz WTVHAMTYZJGJLJ-GJZGRUSLSA-N 0 0 222.372 4.230 10 0 endogenous,in-man BIAERN CCCC/C=C/CCCCCCOC(C)=O ZINC000002018958 386796667 /nfs/dbraw/zinc/79/66/67/386796667.db2.gz MUZGQHWTRUVFLG-VOTSOKGWSA-N 0 0 226.360 4.246 10 0 BIAERN Clc1ccc(C2SCCCS2)cc1 ZINC000002023553 359634675 /nfs/dbraw/zinc/63/46/75/359634675.db2.gz DMMIKGLVFJCJDY-UHFFFAOYSA-N 0 0 230.785 4.209 10 0 BIAERN C[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000002031878 342714882 /nfs/dbraw/zinc/71/48/82/342714882.db2.gz YLIZKDAYWOXASN-NSHDSACASA-N 0 0 244.721 4.326 10 0 BIAERN c1ccc([C@H]2CCCc3ccccc32)cc1 ZINC000002033079 368369944 /nfs/dbraw/zinc/36/99/44/368369944.db2.gz YSPDISPRPJFBCV-MRXNPFEDSA-N 0 0 208.304 4.155 10 0 BIAERN c1ccc([C@@H]2CCCc3ccccc32)cc1 ZINC000002033080 368369229 /nfs/dbraw/zinc/36/92/29/368369229.db2.gz YSPDISPRPJFBCV-INIZCTEOSA-N 0 0 208.304 4.155 10 0 BIAERN CC(C)[C@H]1CC[C@@]2(C)CCCC(=O)[C@@]2(C)C1 ZINC000002037431 571682409 /nfs/dbraw/zinc/68/24/09/571682409.db2.gz HDVXJTYHXDVWQO-NWANDNLSSA-N 0 0 222.372 4.208 10 0 endogenous,in-man BIAERN CCCCCOP(C)(=O)OCCCCC ZINC000002040082 368742519 /nfs/dbraw/zinc/74/25/19/368742519.db2.gz IYWHBXSPNUEWOS-UHFFFAOYSA-N 0 0 236.292 4.223 10 0 BIAERN CO[C@H](c1ccccc1)c1ccccc1Cl ZINC000002043896 342715297 /nfs/dbraw/zinc/71/52/97/342715297.db2.gz UKEZSNPUWKUMLF-CQSZACIVSA-N 0 0 232.710 4.076 10 0 BIAERN CO[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000002043897 368744730 /nfs/dbraw/zinc/74/47/30/368744730.db2.gz YYZKQWJAQAXRAH-CQSZACIVSA-N 0 0 232.710 4.076 10 0 BIAERN CC(C)=CCCC1=CC[C@@H](C(C)=O)CC1 ZINC000002106607 342715985 /nfs/dbraw/zinc/71/59/85/342715985.db2.gz OPMMVURHZYBANA-CQSZACIVSA-N 0 0 206.329 4.048 10 0 BIAERN CC(C)=CCCC1=CC[C@H](C(C)=O)CC1 ZINC000002106608 188253593 /nfs/dbraw/zinc/25/35/93/188253593.db2.gz OPMMVURHZYBANA-AWEZNQCLSA-N 0 0 206.329 4.048 10 0 BIAERN CC(C)=CCC/C(C)=C\CC[C@H](C)OC(C)=O ZINC000002137479 342716045 /nfs/dbraw/zinc/71/60/45/342716045.db2.gz BXGLLMNDXKACMT-ZVHGMHCTSA-N 0 0 238.371 4.411 10 0 BIAERN CC(C)=CCC/C(C)=C\CC[C@@H](C)OC(C)=O ZINC000002137482 342715978 /nfs/dbraw/zinc/71/59/78/342715978.db2.gz BXGLLMNDXKACMT-QLKUMGTLSA-N 0 0 238.371 4.411 10 0 BIAERN C/C=C/CCCCCCCCCOC(C)=O ZINC000002169543 188081571 /nfs/dbraw/zinc/08/15/71/188081571.db2.gz JARZGLPTLYDJAG-ONEGZZNKSA-N 0 0 226.360 4.246 10 0 BIAERN Clc1ccccc1C1SCCCS1 ZINC000002385290 180593574 /nfs/dbraw/zinc/59/35/74/180593574.db2.gz GRGIOPQZMWKWBW-UHFFFAOYSA-N 0 0 230.785 4.209 10 0 BIAERN CSc1ccc(-c2ccc(C(C)=O)s2)cc1 ZINC000002385710 188159198 /nfs/dbraw/zinc/15/91/98/188159198.db2.gz CKFSODRXUIDCRK-UHFFFAOYSA-N 0 0 248.372 4.340 10 0 BIAERN CCCCCc1cc[nH]c1-c1ccccc1 ZINC000002473601 168748621 /nfs/dbraw/zinc/74/86/21/168748621.db2.gz FFNPNYPHYDGVEE-UHFFFAOYSA-N 0 0 213.324 4.414 10 0 BIAERN CSc1cc2sc(SC)cc2s1 ZINC000002507561 383967022 /nfs/dbraw/zinc/96/70/22/383967022.db2.gz UMOMCZXYEOSJBF-UHFFFAOYSA-N 0 0 232.420 4.407 10 0 BIAERN Cc1ccc2ccccc2c1C(=O)c1ccccc1 ZINC000002508007 178971571 /nfs/dbraw/zinc/97/15/71/178971571.db2.gz FZDRTKCXVAUHJB-UHFFFAOYSA-N 0 0 246.309 4.379 10 0 BIAERN c1coc(-c2cscc2-c2ccco2)c1 ZINC000002510166 183504557 /nfs/dbraw/zinc/50/45/57/183504557.db2.gz IHDMPKLKNWGJMD-UHFFFAOYSA-N 0 0 216.261 4.268 10 0 BIAERN CC(C)(C)CC(=O)c1ccc(F)cc1Cl ZINC000002514162 356414532 /nfs/dbraw/zinc/41/45/32/356414532.db2.gz ZZKWVZILPHJHSO-UHFFFAOYSA-N 0 0 228.694 4.098 10 0 BIAERN Oc1ccccc1-c1cc(Cl)ccc1Cl ZINC000002521526 183298353 /nfs/dbraw/zinc/29/83/53/183298353.db2.gz LKDWVOYFEVHMEJ-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 in-vitro BIAERN Oc1cccc(-c2cc(Cl)ccc2Cl)c1 ZINC000002521527 183286454 /nfs/dbraw/zinc/28/64/54/183286454.db2.gz MRRLNQOPCMALNK-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 in-vitro BIAERN Oc1ccc(-c2cc(Cl)ccc2Cl)cc1 ZINC000002521528 183264268 /nfs/dbraw/zinc/26/42/68/183264268.db2.gz BTORSXCJJIWNIS-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 in-vitro BIAERN CCCC/C=C/C(Cl)(Cl)C(F)(F)F ZINC000002530843 353476128 /nfs/dbraw/zinc/47/61/28/353476128.db2.gz WJOURPVKVDQPRH-AATRIKPKSA-N 0 0 235.076 4.469 10 0 BIAERN CC(C)=CCC[C@@H](C)CCOC(=O)C=C(C)C ZINC000002534724 188100595 /nfs/dbraw/zinc/10/05/95/188100595.db2.gz DCEUMOZSMAUPSP-CQSZACIVSA-N 0 0 238.371 4.268 10 0 BIAERN c1cc(-c2ccc(-c3ccccc3)cc2)on1 ZINC000002548511 183379767 /nfs/dbraw/zinc/37/97/67/183379767.db2.gz QSTCWNPYKLZOFS-UHFFFAOYSA-N 0 0 221.259 4.009 10 0 BIAERN CC1=CC[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CCCC3(C)C ZINC000002555228 168120812 /nfs/dbraw/zinc/12/08/12/168120812.db2.gz HICYDYJTCDBHMZ-COMQUAJESA-N 0 0 204.357 4.415 10 0 in-vitro BIAERN CC1=CC[C@H]2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C ZINC000002555230 560187701 /nfs/dbraw/zinc/18/77/01/560187701.db2.gz VLXDPFLIRFYIME-BTFPBAQTSA-N 0 0 204.357 4.271 10 0 biogenic,in-vitro BIAERN C[C@@]12CCCC[C@H]1CCc1ccccc12 ZINC000002558900 346168806 /nfs/dbraw/zinc/16/88/06/346168806.db2.gz MKYPXWHSIZXOQQ-DZGCQCFKSA-N 0 0 200.325 4.081 10 0 BIAERN Fc1ccc(Sc2ccc(F)cc2)cc1 ZINC000002560326 368846115 /nfs/dbraw/zinc/84/61/15/368846115.db2.gz LNFVXUBCXWEIMW-UHFFFAOYSA-N 0 0 222.259 4.116 10 0 BIAERN CC(C)N1[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000002564795 167035183 /nfs/dbraw/zinc/03/51/83/167035183.db2.gz QZCSIAPWHFXTLJ-IAGOWNOFSA-N 0 0 237.346 4.193 10 0 BIAERN CCCN1[C@H](c2ccccc2)[C@H]1c1ccccc1 ZINC000002564797 169211195 /nfs/dbraw/zinc/21/11/95/169211195.db2.gz BLOUNKOJLURQAH-IAGOWNOFSA-N 0 0 237.346 4.195 10 0 BIAERN CC(C)=CCC[C@@H](C)CCOC(=O)CC(C)C ZINC000002567754 383976741 /nfs/dbraw/zinc/97/67/41/383976741.db2.gz WZTNQQJXPYEGAF-CQSZACIVSA-N 0 0 240.387 4.348 10 0 endogenous,in-man BIAERN CC[C@@H](C)C(=O)OCC[C@H](C)CCC=C(C)C ZINC000002567762 342724809 /nfs/dbraw/zinc/72/48/09/342724809.db2.gz VLUIZCDJJSDSKM-ZIAGYGMSSA-N 0 0 240.387 4.348 10 0 BIAERN C=CCOC(=O)/C=C/CCCCCCCC ZINC000002571908 371597351 /nfs/dbraw/zinc/59/73/51/371597351.db2.gz FGBQMYYCMUDGJR-VAWYXSNFSA-N 0 0 224.344 4.022 10 0 BIAERN CC(C)=CCC/C(C)=C/CC[C@H](C)CO ZINC000002575149 187246313 /nfs/dbraw/zinc/24/63/13/187246313.db2.gz SVHDKVPXRARVAO-SSUFTNFISA-N 0 0 210.361 4.088 10 0 BIAERN CC(C)(C)c1cc(N)c(-c2ccccc2)s1 ZINC000002577971 384170601 /nfs/dbraw/zinc/17/06/01/384170601.db2.gz KLTAGHODUCDSBZ-UHFFFAOYSA-N 0 0 231.364 4.295 10 0 BIAERN Cc1ccc([C@@]2(C)CCCC2(C)C)cc1 ZINC000002584429 560188329 /nfs/dbraw/zinc/18/83/29/560188329.db2.gz SLKPBCXNFNIJSV-OAHLLOKOSA-N 0 0 202.341 4.463 10 0 biogenic,in-vitro BIAERN CCCCN(CCCC)c1cccc(C)c1 ZINC000002585449 168806895 /nfs/dbraw/zinc/80/68/95/168806895.db2.gz MUKJUKMSNRJVBD-UHFFFAOYSA-N 0 0 219.372 4.402 10 0 BIAERN CCCCn1c2ccccc2nc1-c1ccco1 ZINC000002666378 169032410 /nfs/dbraw/zinc/03/24/10/169032410.db2.gz IROXURGXGXUHQQ-UHFFFAOYSA-N 0 0 240.306 4.096 10 0 BIAERN Clc1ccc2c(c1)C=Nc1ccccc1O2 ZINC000003033080 368863676 /nfs/dbraw/zinc/86/36/76/368863676.db2.gz KYBURKVYWGXDRK-UHFFFAOYSA-N 0 0 229.666 4.196 10 0 BIAERN CC(C)CCc1ccc(Br)cc1 ZINC000003096933 342730396 /nfs/dbraw/zinc/73/03/96/342730396.db2.gz CRKOOBBDUSAJFV-UHFFFAOYSA-N 0 0 227.145 4.038 10 0 BIAERN COc1ccc2ccccc2c1C(=O)C(C)(C)C ZINC000003098744 371871187 /nfs/dbraw/zinc/87/11/87/371871187.db2.gz JTPSSCLWFHCSSR-UHFFFAOYSA-N 0 0 242.318 4.077 10 0 BIAERN c1ccc2c3nc(-c4ccncc4)oc3ccc2c1 ZINC000003157057 183455358 /nfs/dbraw/zinc/45/53/58/183455358.db2.gz HFHPTZHBPCXDLA-UHFFFAOYSA-N 0 0 246.269 4.043 10 0 BIAERN Cc1ccc(-c2cnc3ccccc3c2)cc1 ZINC000003160460 178329207 /nfs/dbraw/zinc/32/92/07/178329207.db2.gz IJDFFJAVIVWXLM-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN Oc1ccc(-c2ccccc2)c2ccccc12 ZINC000003172370 183264699 /nfs/dbraw/zinc/26/46/99/183264699.db2.gz VQWRORYSXGKWSM-UHFFFAOYSA-N 0 0 220.271 4.212 10 0 BIAERN Oc1cc(-c2ccccc2)cc2ccccc12 ZINC000003172372 183256719 /nfs/dbraw/zinc/25/67/19/183256719.db2.gz MAPYOCUYNJWAJW-UHFFFAOYSA-N 0 0 220.271 4.212 10 0 BIAERN Cc1ccc(-c2nc3ccccc3s2)s1 ZINC000003282664 178337192 /nfs/dbraw/zinc/33/71/92/178337192.db2.gz OXCMYOJSNHRDGO-UHFFFAOYSA-N 0 0 231.345 4.333 10 0 BIAERN O=C(CC1CCCCC1)CC1CCCCC1 ZINC000003592401 358226255 /nfs/dbraw/zinc/22/62/55/358226255.db2.gz MTZFNNPXUNICMF-UHFFFAOYSA-N 0 0 222.372 4.496 10 0 BIAERN CC(=O)c1ccc2c(c1)Sc1ccccc1O2 ZINC000003600281 342735055 /nfs/dbraw/zinc/73/50/55/342735055.db2.gz NTIVMTODXGIOHE-UHFFFAOYSA-N 0 0 242.299 4.146 10 0 BIAERN C[C@@H](c1ccc(O)cc1)[C@@H](C)c1ccc(O)cc1 ZINC000003631508 176016599 /nfs/dbraw/zinc/01/65/99/176016599.db2.gz GDUYFVYTXYOMSJ-VXGBXAGGSA-N 0 0 242.318 4.005 10 0 BIAERN C[C@@H](c1ccc(O)cc1)[C@H](C)c1ccc(O)cc1 ZINC000003639054 177035686 /nfs/dbraw/zinc/03/56/86/177035686.db2.gz GDUYFVYTXYOMSJ-TXEJJXNPSA-N 0 0 242.318 4.005 10 0 BIAERN Cc1ccc2c(c1)Sc1ccccc1N2 ZINC000003642589 342735624 /nfs/dbraw/zinc/73/56/24/342735624.db2.gz ZTZUBEWGBTVCHW-UHFFFAOYSA-N 0 0 213.305 4.203 10 0 BIAERN Cc1cc(C)c(C(C)C)c(O)c1C(C)C ZINC000003643586 387756156 /nfs/dbraw/zinc/75/61/56/387756156.db2.gz BSRNBFQSPKHHOR-UHFFFAOYSA-N 0 0 206.329 4.256 10 0 BIAERN CCCCCCc1c(O)cc(CCC)cc1O ZINC000003644743 188082003 /nfs/dbraw/zinc/08/20/03/188082003.db2.gz VERGPVBZPMTZDY-UHFFFAOYSA-N 0 0 236.355 4.173 10 0 BIAERN Clc1ccccc1[C@H]1Cc2ccccc2N1 ZINC000003714973 180596236 /nfs/dbraw/zinc/59/62/36/180596236.db2.gz SCFRTASRDVPERR-CQSZACIVSA-N 0 0 229.710 4.049 10 0 BIAERN Clc1cccc([C@H]2Cc3ccccc3N2)c1 ZINC000003714975 180592135 /nfs/dbraw/zinc/59/21/35/180592135.db2.gz PXDNSGHWGWBAIK-CQSZACIVSA-N 0 0 229.710 4.049 10 0 BIAERN c1ccn(-c2cccc(Oc3ccccc3)c2)c1 ZINC000003791393 188101894 /nfs/dbraw/zinc/10/18/94/188101894.db2.gz OXQUGQZDAKXIBL-UHFFFAOYSA-N 0 0 235.286 4.270 10 0 BIAERN Cc1ccc(/C=C/c2cc(C)c(O)c(C)c2)cc1 ZINC000003798650 188457202 /nfs/dbraw/zinc/45/72/02/188457202.db2.gz QFTUTAJNKIKFMS-CMDGGOBGSA-N 0 0 238.330 4.488 10 0 BIAERN Cc1cccc(/C=C/c2cc(C)c(O)c(C)c2)c1 ZINC000003798655 179002814 /nfs/dbraw/zinc/00/28/14/179002814.db2.gz QGWXEYXEISPVTM-BQYQJAHWSA-N 0 0 238.330 4.488 10 0 BIAERN C(=C/c1cnc2ccccc2c1)\c1ccccc1 ZINC000003832235 188096333 /nfs/dbraw/zinc/09/63/33/188096333.db2.gz OHHPAEZEBAYVPW-ZHACJKMWSA-N 0 0 231.298 4.405 10 0 in-vivo BIAERN Fc1ccc2cc(-c3ccsc3)cnc2c1 ZINC000003834021 180990686 /nfs/dbraw/zinc/99/06/86/180990686.db2.gz OQYVAKAMHRACJL-UHFFFAOYSA-N 0 0 229.279 4.102 10 0 in-vivo BIAERN Fc1cccc2ncc(-c3ccsc3)cc12 ZINC000003834023 181008414 /nfs/dbraw/zinc/00/84/14/181008414.db2.gz BEVNNTNJJJWQAK-UHFFFAOYSA-N 0 0 229.279 4.102 10 0 in-vivo BIAERN C[C@@H]1[C@H]2C[C@H](C[C@@H]2c2ccccc2O)C1(C)C ZINC000003882079 342738953 /nfs/dbraw/zinc/73/89/53/342738953.db2.gz RJZHQMOKFMOSQY-HBJVGIJOSA-N 0 0 230.351 4.178 10 0 BIAERN ClC1=Nc2ccccc2Oc2ccccc21 ZINC000003883031 342738846 /nfs/dbraw/zinc/73/88/46/342738846.db2.gz USQRYWGUCOATEU-UHFFFAOYSA-N 0 0 229.666 4.109 10 0 BIAERN Cc1ccc(NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000003897104 368888047 /nfs/dbraw/zinc/88/80/47/368888047.db2.gz XPMPUGVKPUCKNN-UHFFFAOYSA-N 0 0 241.378 4.376 10 0 BIAERN Cc1ccc(-c2nc3cccc(C)c3o2)cc1 ZINC000003958166 178337288 /nfs/dbraw/zinc/33/72/88/178337288.db2.gz UVFKCICROXRSID-UHFFFAOYSA-N 0 0 223.275 4.112 10 0 BIAERN O[C@@H](c1ccc2ccccc2c1)C1CCCCC1 ZINC000004072029 183186177 /nfs/dbraw/zinc/18/61/77/183186177.db2.gz DEDUKDRLNKYYOK-QGZVFWFLSA-N 0 0 240.346 4.454 10 0 BIAERN O[C@H](c1ccc2ccccc2c1)C1CCCCC1 ZINC000004072030 183229460 /nfs/dbraw/zinc/22/94/60/183229460.db2.gz DEDUKDRLNKYYOK-KRWDZBQOSA-N 0 0 240.346 4.454 10 0 BIAERN Cc1ccccc1[C@H](O)c1cccc2ccccc21 ZINC000004072045 179345884 /nfs/dbraw/zinc/34/58/84/179345884.db2.gz WHJQHVRFSBBAJH-SFHVURJKSA-N 0 0 248.325 4.230 10 0 BIAERN Cc1ccccc1[C@@H](O)c1cccc2ccccc21 ZINC000004072047 179326980 /nfs/dbraw/zinc/32/69/80/179326980.db2.gz WHJQHVRFSBBAJH-GOSISDBHSA-N 0 0 248.325 4.230 10 0 BIAERN C[C@@](O)(c1ccccc1)c1cccc2ccccc21 ZINC000004072050 411499160 /nfs/dbraw/zinc/49/91/60/411499160.db2.gz XHUPZHDYAUHNFB-GOSISDBHSA-N 0 0 248.325 4.096 10 0 BIAERN C[C@](O)(c1ccccc1)c1cccc2ccccc21 ZINC000004072053 411498778 /nfs/dbraw/zinc/49/87/78/411498778.db2.gz XHUPZHDYAUHNFB-SFHVURJKSA-N 0 0 248.325 4.096 10 0 BIAERN Cc1cc(O)c2c(c1)[C@@H](C(C)C)CC[C@@H]2C ZINC000004098432 560195705 /nfs/dbraw/zinc/19/57/05/560195705.db2.gz FDMKIGKOMRSCAW-NWDGAFQWSA-N 0 0 218.340 4.338 10 0 biogenic,in-vitro BIAERN Cc1ccc(-c2ccc(C=O)cc2)cc1Cl ZINC000004204212 178324236 /nfs/dbraw/zinc/32/42/36/178324236.db2.gz YLQRGFFHJZWGPM-UHFFFAOYSA-N 0 0 230.694 4.128 10 0 BIAERN Cc1ccc(-c2cccc(C=O)c2)cc1Cl ZINC000004204215 640476670 /nfs/dbraw/zinc/47/66/70/640476670.db2.gz IONVCUOGOLYMQU-UHFFFAOYSA-N 0 0 230.694 4.128 10 0 BIAERN Fc1cccc2sc(Nc3ccccc3)nc21 ZINC000004232290 181009314 /nfs/dbraw/zinc/00/93/14/181009314.db2.gz IEHWMRSGSJMVHH-UHFFFAOYSA-N 0 0 244.294 4.179 10 0 BIAERN FC(F)(F)c1ccccc1-c1ccsc1 ZINC000004299225 180895640 /nfs/dbraw/zinc/89/56/40/180895640.db2.gz UEYWDJSTBLBKKP-UHFFFAOYSA-N 0 0 228.238 4.434 10 0 BIAERN C(=C/c1ccc2c(n1)CCCC2)\c1ccccc1 ZINC000004645925 368948191 /nfs/dbraw/zinc/94/81/91/368948191.db2.gz JRKIUVYZJXMCRM-ZRDIBKRKSA-N 0 0 235.330 4.131 10 0 BIAERN Oc1ccc(-c2c(Cl)cccc2Cl)cc1 ZINC000004655050 183263150 /nfs/dbraw/zinc/26/31/50/183263150.db2.gz WJZSSXLAIVPJLA-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 in-vitro BIAERN CC(C)c1ccc(C(=O)c2ccccc2)cc1 ZINC000004829188 398247062 /nfs/dbraw/zinc/24/70/62/398247062.db2.gz CKFPWZPBRHQASN-UHFFFAOYSA-N 0 0 224.303 4.041 10 0 BIAERN CC(C)N1[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000004976889 167034618 /nfs/dbraw/zinc/03/46/18/167034618.db2.gz QZCSIAPWHFXTLJ-IRXDYDNUSA-N 0 0 237.346 4.193 10 0 BIAERN CCCN1[C@@H](c2ccccc2)[C@@H]1c1ccccc1 ZINC000004976902 169211025 /nfs/dbraw/zinc/21/10/25/169211025.db2.gz BLOUNKOJLURQAH-IRXDYDNUSA-N 0 0 237.346 4.195 10 0 BIAERN O=C1CCC[C@H](c2ccccc2)c2ccccc21 ZINC000004995093 342756229 /nfs/dbraw/zinc/75/62/29/342756229.db2.gz RMVRNGHNHSPNJE-CQSZACIVSA-N 0 0 236.314 4.185 10 0 BIAERN CC(C)=C1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1 ZINC000005037446 187411686 /nfs/dbraw/zinc/41/16/86/187411686.db2.gz STRABSCAWZINIF-RBSFLKMASA-N 0 0 222.372 4.064 10 0 biogenic,in-vitro BIAERN C[C@@H]1CC[C@@H]2[C@@H](C1)N(c1ccccc1)OC2(C)C ZINC000005106100 176218286 /nfs/dbraw/zinc/21/82/86/176218286.db2.gz ZLBHWUSWKCOFDB-BPLDGKMQSA-N 0 0 245.366 4.022 10 0 BIAERN C[C@@H]1CC[C@H]2[C@@H](C1)N(c1ccccc1)OC2(C)C ZINC000005106102 176237329 /nfs/dbraw/zinc/23/73/29/176237329.db2.gz ZLBHWUSWKCOFDB-VHDGCEQUSA-N 0 0 245.366 4.022 10 0 BIAERN CC1=C(c2cccnc2)Cc2cc(Cl)ccc21 ZINC000005138578 168087642 /nfs/dbraw/zinc/08/76/42/168087642.db2.gz STLUNQZEUDXBQE-UHFFFAOYSA-N 0 0 241.721 4.222 10 0 BIAERN CCCc1cc(Cl)cc(-c2ccncc2)c1 ZINC000005139223 342758700 /nfs/dbraw/zinc/75/87/00/342758700.db2.gz QJNFCQKHQJMVAZ-UHFFFAOYSA-N 0 0 231.726 4.355 10 0 BIAERN CCOc1ccc(Nc2ccccc2)c(C)c1 ZINC000005139893 342758733 /nfs/dbraw/zinc/75/87/33/342758733.db2.gz YGLYYWZISFBCPU-UHFFFAOYSA-N 0 0 227.307 4.137 10 0 BIAERN CC(C)=CCCC1=CC[C@H](COC(C)=O)CC1 ZINC000005158701 348620081 /nfs/dbraw/zinc/62/00/81/348620081.db2.gz HTQLNWONIAXQKC-HNNXBMFYSA-N 0 0 236.355 4.022 10 0 BIAERN CC(C)=CCCC1=CC[C@@H](COC(C)=O)CC1 ZINC000005158710 348620102 /nfs/dbraw/zinc/62/01/02/348620102.db2.gz HTQLNWONIAXQKC-OAHLLOKOSA-N 0 0 236.355 4.022 10 0 BIAERN C[C@H]1CCCCCCCCc2cccc(n2)[C@H]1O ZINC000005159269 290797813 /nfs/dbraw/zinc/79/78/13/290797813.db2.gz XEKNCTZVXNUNGM-BBRMVZONSA-N 0 0 247.382 4.038 10 0 biogenic,in-vitro BIAERN C[C@H]1CCCCCCC[C@@H](O)c2cccc(n2)C1 ZINC000005159273 290797805 /nfs/dbraw/zinc/79/78/05/290797805.db2.gz FPDSMLMTMDHJQT-XJKSGUPXSA-N 0 0 247.382 4.038 10 0 biogenic,in-vitro BIAERN Nc1ccc(/C=C/c2ccc(Cl)cc2)cc1 ZINC000005161809 369005628 /nfs/dbraw/zinc/00/56/28/369005628.db2.gz XPIHDAPOGFAZLY-OWOJBTEDSA-N 0 0 229.710 4.093 10 0 BIAERN COC(=O)[C@]1(C)CC=C(CCC=C(C)C)CC1 ZINC000005195624 173835072 /nfs/dbraw/zinc/83/50/72/173835072.db2.gz GEIXAIBGXQKPFP-OAHLLOKOSA-N 0 0 236.355 4.022 10 0 BIAERN COC(=O)[C@@]1(C)CC=C(CCC=C(C)C)CC1 ZINC000005195633 342759968 /nfs/dbraw/zinc/75/99/68/342759968.db2.gz GEIXAIBGXQKPFP-HNNXBMFYSA-N 0 0 236.355 4.022 10 0 BIAERN Cc1ccc(C23CC4CC(CC(C4)C2)C3)c(O)c1 ZINC000005212435 349260388 /nfs/dbraw/zinc/26/03/88/349260388.db2.gz PCLOSIGWYHVIJZ-UHFFFAOYSA-N 0 0 242.362 4.168 10 0 BIAERN CC(=O)CC1c2ccccc2C=Cc2ccccc21 ZINC000005283397 187757754 /nfs/dbraw/zinc/75/77/54/187757754.db2.gz RIKOPXXQIOEXOP-UHFFFAOYSA-N 0 0 248.325 4.281 10 0 BIAERN CC(=O)Nc1c(C(C)(C)C)cccc1C(C)(C)C ZINC000005283550 188277233 /nfs/dbraw/zinc/27/72/33/188277233.db2.gz BRAZYTXLNXLVMN-UHFFFAOYSA-N 0 0 247.382 4.240 10 0 BIAERN CC(C)O[C@@H](Cc1ccccc1)c1ccccc1 ZINC000005284760 167281875 /nfs/dbraw/zinc/28/18/75/167281875.db2.gz AFUGSQKBMFOPJM-KRWDZBQOSA-N 0 0 240.346 4.395 10 0 BIAERN CC(C)O[C@H](Cc1ccccc1)c1ccccc1 ZINC000005284771 167282833 /nfs/dbraw/zinc/28/28/33/167282833.db2.gz AFUGSQKBMFOPJM-QGZVFWFLSA-N 0 0 240.346 4.395 10 0 BIAERN CC(C)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000005284850 167387778 /nfs/dbraw/zinc/38/77/78/167387778.db2.gz CECPVTQMPKWSBR-GFCCVEGCSA-N 0 0 214.308 4.263 10 0 BIAERN CC1=CC(C(C)(C)C)=NN=C(C(C)(C)C)C1 ZINC000005305933 168092554 /nfs/dbraw/zinc/09/25/54/168092554.db2.gz NTQUNDRVPWKNBL-UHFFFAOYSA-N 0 0 220.360 4.226 10 0 BIAERN CCCCC/C(=C\C(=O)OCC)c1ccccc1 ZINC000005308328 342761935 /nfs/dbraw/zinc/76/19/35/342761935.db2.gz DKLKBKHCDIZXJB-FYWRMAATSA-N 0 0 246.350 4.213 10 0 BIAERN CCCCCC[C@]1(C)OC(=O)c2ccccc21 ZINC000005308729 168680472 /nfs/dbraw/zinc/68/04/72/168680472.db2.gz AFGGMMSDOGISCR-HNNXBMFYSA-N 0 0 232.323 4.043 10 0 BIAERN CCN1CC[C@H](c2ccccc2)c2ccccc21 ZINC000005312063 132317386 /nfs/dbraw/zinc/31/73/86/132317386.db2.gz AWDGJZWJRHMKTO-OAHLLOKOSA-N 0 0 237.346 4.049 10 0 BIAERN CCN1CC[C@@H](c2ccccc2)c2ccccc21 ZINC000005312080 132317250 /nfs/dbraw/zinc/31/72/50/132317250.db2.gz AWDGJZWJRHMKTO-HNNXBMFYSA-N 0 0 237.346 4.049 10 0 BIAERN CN(c1ccccc1)c1cccc(Cl)c1 ZINC000005328833 172950380 /nfs/dbraw/zinc/95/03/80/172950380.db2.gz PSSWALONFHCZGL-UHFFFAOYSA-N 0 0 217.699 4.108 10 0 BIAERN CNc1c(Cc2ccccc2)ccc2ccccc21 ZINC000005329114 173470861 /nfs/dbraw/zinc/47/08/61/173470861.db2.gz JQMAOHMQVRSEDD-UHFFFAOYSA-N 0 0 247.341 4.472 10 0 BIAERN C[C@@H]1c2ccccc2N(C)C[C@@H]1c1ccccc1 ZINC000005330369 132317585 /nfs/dbraw/zinc/31/75/85/132317585.db2.gz UBYLNESVDZRTSK-CJNGLKHVSA-N 0 0 237.346 4.024 10 0 BIAERN C[C@H]1c2ccccc2N(C)C[C@@H]1c1ccccc1 ZINC000005330453 132317772 /nfs/dbraw/zinc/31/77/72/132317772.db2.gz UBYLNESVDZRTSK-BBRMVZONSA-N 0 0 237.346 4.024 10 0 BIAERN c1cc(-c2ccccc2)n(-c2ccccc2)c1 ZINC000005332105 183381015 /nfs/dbraw/zinc/38/10/15/183381015.db2.gz ZZDIPNSMKJPHTR-UHFFFAOYSA-N 0 0 219.287 4.144 10 0 BIAERN CC(C)(C)c1ccc(O)c(C2CCCC2)c1 ZINC000005355297 384111264 /nfs/dbraw/zinc/11/12/64/384111264.db2.gz VEZHYEYZBFZZMB-UHFFFAOYSA-N 0 0 218.340 4.347 10 0 BIAERN CC(C)=CCC[C@H](C)CCOC(=O)CC(C)C ZINC000005360100 384112661 /nfs/dbraw/zinc/11/26/61/384112661.db2.gz WZTNQQJXPYEGAF-AWEZNQCLSA-N 0 0 240.387 4.348 10 0 endogenous,in-man BIAERN Cc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000005423581 180096142 /nfs/dbraw/zinc/09/61/42/180096142.db2.gz LGSLGFVEYSYLRU-UHFFFAOYSA-N 0 0 241.315 4.397 10 0 BIAERN CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)CC[C@@]12O3 ZINC000005431436 571688589 /nfs/dbraw/zinc/68/85/89/571688589.db2.gz WABYSPBNXHXFIQ-ZQDZILKHSA-N 0 0 222.372 4.160 10 0 endogenous,in-man BIAERN CC(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)CC[C@@]12O3 ZINC000005431438 571688775 /nfs/dbraw/zinc/68/87/75/571688775.db2.gz WABYSPBNXHXFIQ-CBBWQLFWSA-N 0 0 222.372 4.160 10 0 endogenous,in-man BIAERN CC(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)CC[C@@]12O3 ZINC000005431440 188277481 /nfs/dbraw/zinc/27/74/81/188277481.db2.gz WABYSPBNXHXFIQ-LJISPDSOSA-N 0 0 222.372 4.160 10 0 endogenous,in-man BIAERN CC(C)[C@H]1CC[C@]2(C)CC[C@@]3(C)CC[C@@]12O3 ZINC000005431441 571688675 /nfs/dbraw/zinc/68/86/75/571688675.db2.gz WABYSPBNXHXFIQ-APIJFGDWSA-N 0 0 222.372 4.160 10 0 endogenous,in-man BIAERN CC(C)=CCC[C@H](C)[C@@]1(O)CC=C(C)CC1 ZINC000005457567 571689150 /nfs/dbraw/zinc/68/91/50/571689150.db2.gz WTVHAMTYZJGJLJ-LSDHHAIUSA-N 0 0 222.372 4.230 10 0 endogenous,in-man BIAERN CCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000005471391 384119521 /nfs/dbraw/zinc/11/95/21/384119521.db2.gz GYPAXJFDCNVNTO-UHFFFAOYSA-N 0 0 246.737 4.481 10 0 BIAERN CCc1ccc(OCc2ccccc2Cl)cc1 ZINC000005471395 384119407 /nfs/dbraw/zinc/11/94/07/384119407.db2.gz KSQZDKROYGTODK-UHFFFAOYSA-N 0 0 246.737 4.481 10 0 BIAERN CCC1CCC(C(C)(C)CC(C)=O)CC1 ZINC000005509305 342765081 /nfs/dbraw/zinc/76/50/81/342765081.db2.gz NUUIYEWNUZLOKL-UHFFFAOYSA-N 0 0 210.361 4.208 10 0 BIAERN CCCCC(=O)OC(C)(C)[C@H]1CC=C(C)CC1 ZINC000005510216 168629670 /nfs/dbraw/zinc/62/96/70/168629670.db2.gz GIHNOWFSKYCHNL-ZDUSSCGKSA-N 0 0 238.371 4.245 10 0 endogenous,in-man BIAERN CCCCC(=O)OC(C)(C)[C@@H]1CC=C(C)CC1 ZINC000005510218 168629178 /nfs/dbraw/zinc/62/91/78/168629178.db2.gz GIHNOWFSKYCHNL-CYBMUJFWSA-N 0 0 238.371 4.245 10 0 endogenous,in-man BIAERN Clc1cccc2c1Nc1ccccc1O2 ZINC000005517634 342765237 /nfs/dbraw/zinc/76/52/37/342765237.db2.gz ZFNHVQFLFYDPCY-UHFFFAOYSA-N 0 0 217.655 4.189 10 0 BIAERN COc1ccc(/C=C/c2ccc(C)cc2)cc1 ZINC000005539952 175048375 /nfs/dbraw/zinc/04/83/75/175048375.db2.gz UKUIMCCHHQZISK-BQYQJAHWSA-N 0 0 224.303 4.174 10 0 BIAERN Brc1ccsc1-c1cccs1 ZINC000005582463 166102650 /nfs/dbraw/zinc/10/26/50/166102650.db2.gz UYEZRRZWTSRZQT-UHFFFAOYSA-N 0 0 245.166 4.239 10 0 BIAERN c1cc(-c2ccsc2)n(-c2ccccc2)c1 ZINC000005595468 183386424 /nfs/dbraw/zinc/38/64/24/183386424.db2.gz NKDUOKUIVAZNET-UHFFFAOYSA-N 0 0 225.316 4.206 10 0 BIAERN CCCCOC(=O)Nc1ccc(CCCC)cc1 ZINC000005597390 168885954 /nfs/dbraw/zinc/88/59/54/168885954.db2.gz KZIUJIRUJZGBHC-UHFFFAOYSA-N 0 0 249.354 4.378 10 0 BIAERN C(=C\c1ccccc1)\Sc1ccccc1 ZINC000005600404 166228816 /nfs/dbraw/zinc/22/88/16/166228816.db2.gz NCSYOCXYJXZCGQ-QXMHVHEDSA-N 0 0 212.317 4.450 10 0 BIAERN CC[C@@H](C)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000005651051 170684635 /nfs/dbraw/zinc/68/46/35/170684635.db2.gz FGHREPYEIHRUKM-AAVRWANBSA-N 0 0 240.387 4.037 10 0 in-vitro BIAERN CC[C@@H](C)C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000005651052 560202590 /nfs/dbraw/zinc/20/25/90/560202590.db2.gz FGHREPYEIHRUKM-SYQHCUMBSA-N 0 0 240.387 4.037 10 0 in-vitro BIAERN CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000005651377 171256650 /nfs/dbraw/zinc/25/66/50/171256650.db2.gz FGHREPYEIHRUKM-XJFOESAGSA-N 0 0 240.387 4.037 10 0 in-vitro BIAERN CC[C@H](C)C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000005651379 171256281 /nfs/dbraw/zinc/25/62/81/171256281.db2.gz FGHREPYEIHRUKM-RQJABVFESA-N 0 0 240.387 4.037 10 0 in-vitro BIAERN CCOc1ccc(Sc2ccccc2)cc1 ZINC000005713563 342768695 /nfs/dbraw/zinc/76/86/95/342768695.db2.gz ZDFOWFMZVHCXIJ-UHFFFAOYSA-N 0 0 230.332 4.237 10 0 BIAERN CC(C)=CCC[C@H](C)CCOC(=O)C=C(C)C ZINC000005734939 342769224 /nfs/dbraw/zinc/76/92/24/342769224.db2.gz DCEUMOZSMAUPSP-AWEZNQCLSA-N 0 0 238.371 4.268 10 0 BIAERN c1c[nH]c(-c2ccc(-c3ccccc3)cc2)c1 ZINC000005738561 183379474 /nfs/dbraw/zinc/37/94/74/183379474.db2.gz UOAAGYZRGAGSFC-UHFFFAOYSA-N 0 0 219.287 4.349 10 0 BIAERN CC(C)[C@@H]1CC[C@]2(C)CCCC(=O)[C@]2(C)C1 ZINC000005751118 574412545 /nfs/dbraw/zinc/41/25/45/574412545.db2.gz HDVXJTYHXDVWQO-SNPRPXQTSA-N 0 0 222.372 4.208 10 0 endogenous,in-man BIAERN CC(C)[C@@H]1CC[C@]2(C)CCCC(=O)[C@@]2(C)C1 ZINC000005751120 571689603 /nfs/dbraw/zinc/68/96/03/571689603.db2.gz HDVXJTYHXDVWQO-VHDGCEQUSA-N 0 0 222.372 4.208 10 0 endogenous,in-man BIAERN CC(C)[C@@H]1CC[C@@]2(C)CCCC(=O)[C@]2(C)C1 ZINC000005751121 574412555 /nfs/dbraw/zinc/41/25/55/574412555.db2.gz HDVXJTYHXDVWQO-YUELXQCFSA-N 0 0 222.372 4.208 10 0 endogenous,in-man BIAERN CC(C)[C@@H]1CC[C@@]2(C)CCCC(=O)[C@@]2(C)C1 ZINC000005751122 571689338 /nfs/dbraw/zinc/68/93/38/571689338.db2.gz HDVXJTYHXDVWQO-BPLDGKMQSA-N 0 0 222.372 4.208 10 0 endogenous,in-man BIAERN CC(C)CCCCCOC(=O)c1ccccc1 ZINC000005758440 166801648 /nfs/dbraw/zinc/80/16/48/166801648.db2.gz ONAJCHYEVMVJQN-UHFFFAOYSA-N 0 0 234.339 4.060 10 0 BIAERN CC(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1 ZINC000005760997 167298628 /nfs/dbraw/zinc/29/86/28/167298628.db2.gz WGMNKUNLCDITTI-NSHDSACASA-N 0 0 245.149 4.135 10 0 BIAERN CC(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1 ZINC000005760998 167301221 /nfs/dbraw/zinc/30/12/21/167301221.db2.gz WGMNKUNLCDITTI-LLVKDONJSA-N 0 0 245.149 4.135 10 0 BIAERN CC(C)c1ccc2cc(C(C)(C)O)ccc2c1 ZINC000005761660 167627905 /nfs/dbraw/zinc/62/79/05/167627905.db2.gz WQFJASBHTLPWMT-UHFFFAOYSA-N 0 0 228.335 4.191 10 0 BIAERN CC(C)c1ccc2cc([C@@H](C)CO)ccc2c1 ZINC000005761662 167628328 /nfs/dbraw/zinc/62/83/28/167628328.db2.gz NEHQMGXTLDSFDM-LBPRGKRZSA-N 0 0 228.335 4.059 10 0 BIAERN CC1(C)CCC[C@@]2(C)CC[C@](C)(O)CC=C12 ZINC000005762251 560203087 /nfs/dbraw/zinc/20/30/87/560203087.db2.gz BXGVVQADPFXGHD-LSDHHAIUSA-N 0 0 222.372 4.064 10 0 biogenic,in-vitro BIAERN CC1(C)CCC[C@@]2(C)c3cocc3CC[C@H]12 ZINC000005762262 167910633 /nfs/dbraw/zinc/91/06/33/167910633.db2.gz MPZXOTRFHATPCS-HIFRSBDPSA-N 0 0 218.340 4.310 10 0 BIAERN Cc1cc(C2CCCCC2)cc(C)c1O ZINC000005765156 177950784 /nfs/dbraw/zinc/95/07/84/177950784.db2.gz JEOOYEDQODNSOL-UHFFFAOYSA-N 0 0 204.313 4.057 10 0 BIAERN CCC(=O)CC[C@@H]1C(C)=CCCC1(C)C ZINC000005768064 168204856 /nfs/dbraw/zinc/20/48/56/168204856.db2.gz KUZMAEUMYSXKOU-CYBMUJFWSA-N 0 0 208.345 4.128 10 0 BIAERN CCC(=O)CC[C@H]1C(C)=CCCC1(C)C ZINC000005768067 168204666 /nfs/dbraw/zinc/20/46/66/168204666.db2.gz KUZMAEUMYSXKOU-ZDUSSCGKSA-N 0 0 208.345 4.128 10 0 BIAERN Cc1ccccc1-c1ccc(N=O)c(C)c1 ZINC000005783143 355360189 /nfs/dbraw/zinc/36/01/89/355360189.db2.gz CKEUKHXGPKXTTF-UHFFFAOYSA-N 0 0 211.264 4.368 10 0 BIAERN CCCC[P@@]1(=O)C=CC(Cl)=C(C)C1 ZINC000005784642 169015994 /nfs/dbraw/zinc/01/59/94/169015994.db2.gz HHGZNPKIYQLFMA-CYBMUJFWSA-N 0 0 218.664 4.190 10 0 BIAERN CCc1ccsc1Nc1ccccc1 ZINC000005797554 171907739 /nfs/dbraw/zinc/90/77/39/171907739.db2.gz SCUAVHSXMUBYKD-UHFFFAOYSA-N 0 0 203.310 4.054 10 0 BIAERN CCCC(=O)c1ccc(Cc2ccccc2)cc1 ZINC000005819678 384132504 /nfs/dbraw/zinc/13/25/04/384132504.db2.gz CQGHAVUWNSCNMH-UHFFFAOYSA-N 0 0 238.330 4.260 10 0 BIAERN CCCCCC[C@@H](C)c1ccc(O)cc1 ZINC000005820417 384132650 /nfs/dbraw/zinc/13/26/50/384132650.db2.gz DJQPEGRPSMOYLI-GFCCVEGCSA-N 0 0 206.329 4.466 10 0 BIAERN CCCCCC[C@H](C)c1ccc(O)cc1 ZINC000005820536 384131946 /nfs/dbraw/zinc/13/19/46/384131946.db2.gz DJQPEGRPSMOYLI-LBPRGKRZSA-N 0 0 206.329 4.466 10 0 BIAERN CCCCC[C@@H](CC)c1ccc(O)cc1 ZINC000005820854 384133128 /nfs/dbraw/zinc/13/31/28/384133128.db2.gz RVKRSEBIQIUEBD-GFCCVEGCSA-N 0 0 206.329 4.466 10 0 BIAERN CCCCC[C@H](CC)c1ccc(O)cc1 ZINC000005820990 168745188 /nfs/dbraw/zinc/74/51/88/168745188.db2.gz RVKRSEBIQIUEBD-LBPRGKRZSA-N 0 0 206.329 4.466 10 0 BIAERN CCCC[C@@H](CC)COC(=O)[C@H]1CC=CCC1 ZINC000005821798 351151989 /nfs/dbraw/zinc/15/19/89/351151989.db2.gz OOBVOBFENTULJB-KGLIPLIRSA-N 0 0 238.371 4.102 10 0 BIAERN CCCC[C@@H](CC)COC(=O)[C@@H]1CC=CCC1 ZINC000005821802 351152039 /nfs/dbraw/zinc/15/20/39/351152039.db2.gz OOBVOBFENTULJB-ZIAGYGMSSA-N 0 0 238.371 4.102 10 0 BIAERN CCCC[C@H](CC)COC(=O)[C@H]1CC=CCC1 ZINC000005822118 351153520 /nfs/dbraw/zinc/15/35/20/351153520.db2.gz OOBVOBFENTULJB-KBPBESRZSA-N 0 0 238.371 4.102 10 0 BIAERN CCCC[C@H](CC)COC(=O)[C@@H]1CC=CCC1 ZINC000005822122 351153843 /nfs/dbraw/zinc/15/38/43/351153843.db2.gz OOBVOBFENTULJB-UONOGXRCSA-N 0 0 238.371 4.102 10 0 BIAERN CCCCc1cc(OC)c2ccccc2c1OC ZINC000005831954 169017857 /nfs/dbraw/zinc/01/78/57/169017857.db2.gz KSFSJCCHJUSHLH-UHFFFAOYSA-N 0 0 244.334 4.200 10 0 BIAERN Cc1ccc(-c2cn3cc(Cl)sc3n2)cc1 ZINC000005892529 178328373 /nfs/dbraw/zinc/32/83/73/178328373.db2.gz HWTDQUGDJPNZEC-UHFFFAOYSA-N 0 0 248.738 4.025 10 0 BIAERN CC[C@@H](C)C(=O)OC/C=C(\C)CCC=C(C)C ZINC000005922016 342771403 /nfs/dbraw/zinc/77/14/03/342771403.db2.gz PEQMAZJTEUEQJP-JWAFFJSPSA-N 0 0 238.371 4.268 10 0 endogenous,in-man BIAERN CC[C@H](C)C(=O)OC/C=C(/C)CCC=C(C)C ZINC000005924475 171256719 /nfs/dbraw/zinc/25/67/19/171256719.db2.gz PEQMAZJTEUEQJP-ZVHGMHCTSA-N 0 0 238.371 4.268 10 0 BIAERN C[C@H]1C[C@H](c2ccccc2)Nc2ccccc21 ZINC000005930143 177375482 /nfs/dbraw/zinc/37/54/82/177375482.db2.gz YLJDCLMQBMQJRJ-BLLLJJGKSA-N 0 0 223.319 4.347 10 0 BIAERN C[C@H]1C[C@@H](c2ccccc2)Nc2ccccc21 ZINC000005930145 177339203 /nfs/dbraw/zinc/33/92/03/177339203.db2.gz YLJDCLMQBMQJRJ-LRDDRELGSA-N 0 0 223.319 4.347 10 0 BIAERN O=c1c2ccccc2sc2cc(Cl)ccc21 ZINC000005934936 369031298 /nfs/dbraw/zinc/03/12/98/369031298.db2.gz WIRJDTJTGNEUAF-UHFFFAOYSA-N 0 0 246.718 4.068 10 0 BIAERN CN(Sc1ccccc1)Sc1ccccc1 ZINC000005965783 172942820 /nfs/dbraw/zinc/94/28/20/172942820.db2.gz KMCFEXNDAKVDBN-UHFFFAOYSA-N 0 0 247.388 4.333 10 0 BIAERN COCCOC1CCCCCCCCCCC1 ZINC000005997857 174343750 /nfs/dbraw/zinc/34/37/50/174343750.db2.gz ZVBSFYUMDOTFAC-UHFFFAOYSA-N 0 0 242.403 4.323 10 0 BIAERN CSc1cc(Cl)cc(Cl)c1Cl ZINC000006019856 351377109 /nfs/dbraw/zinc/37/71/09/351377109.db2.gz LXXQGAIMVUXFLF-UHFFFAOYSA-N 0 0 227.543 4.369 10 0 BIAERN C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCO ZINC000006031007 176217479 /nfs/dbraw/zinc/21/74/79/176217479.db2.gz ZWDUZFUFYAXULG-IXYNUQLISA-N 0 0 238.415 4.248 10 0 BIAERN CC(=O)[C@@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C ZINC000006031037 190976614 /nfs/dbraw/zinc/97/66/14/190976614.db2.gz ZSPIIBJQRZLFHP-DTWJZALFSA-N 0 0 248.410 4.454 10 0 BIAERN C[C@@H]1COC2(CCCCCCCCCCC2)O1 ZINC000006031256 187241692 /nfs/dbraw/zinc/24/16/92/187241692.db2.gz HDCUPDJOTUNHOM-CQSZACIVSA-N 0 0 240.387 4.423 10 0 BIAERN C[C@H]1COC2(CCCCCCCCCCC2)O1 ZINC000006037869 177287545 /nfs/dbraw/zinc/28/75/45/177287545.db2.gz HDCUPDJOTUNHOM-AWEZNQCLSA-N 0 0 240.387 4.423 10 0 BIAERN Cc1c2ccccc2oc1-c1ccccc1 ZINC000006069467 188103206 /nfs/dbraw/zinc/10/32/06/188103206.db2.gz GMITZEGBZMWAOQ-UHFFFAOYSA-N 0 0 208.260 4.408 10 0 BIAERN Cc1cc(Cl)c(C(C)C)c(Cl)c1O ZINC000006069762 178061243 /nfs/dbraw/zinc/06/12/43/178061243.db2.gz ZIFSLTRSCLGLBD-UHFFFAOYSA-N 0 0 219.111 4.131 10 0 BIAERN Cc1ccc2c(c1)Sc1ccccc1O2 ZINC000006071332 178948916 /nfs/dbraw/zinc/94/89/16/178948916.db2.gz BHEPNKKGEJFULV-UHFFFAOYSA-N 0 0 214.289 4.252 10 0 BIAERN Oc1ccc(-c2cccc(Cl)c2)cc1Cl ZINC000006092399 183264042 /nfs/dbraw/zinc/26/40/42/183264042.db2.gz JOHAARQQFBMIOV-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN Oc1ccc(-c2ccc(Cl)cc2)cc1Cl ZINC000006093376 183264906 /nfs/dbraw/zinc/26/49/06/183264906.db2.gz UHKLHHYQCUBQDI-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN Oc1cc(-c2ccccc2Cl)ccc1Cl ZINC000006095507 183256489 /nfs/dbraw/zinc/25/64/89/183256489.db2.gz BJYMMGBPIQMHJJ-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN Oc1ccccc1-c1ccc(Cl)cc1Cl ZINC000006095511 183297840 /nfs/dbraw/zinc/29/78/40/183297840.db2.gz DPSYSSVLQVTEEK-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN CC[C@@H](C)c1ccc(NC(=O)C2CCCC2)cc1 ZINC000006116879 170804365 /nfs/dbraw/zinc/80/43/65/170804365.db2.gz MAIYOPSBNLMDKY-GFCCVEGCSA-N 0 0 245.366 4.329 10 0 BIAERN CC(=O)c1ccc(-c2cccc(Cl)c2)s1 ZINC000006159117 388512338 /nfs/dbraw/zinc/51/23/38/388512338.db2.gz ZITFSMXEMRZTFY-UHFFFAOYSA-N 0 0 236.723 4.271 10 0 BIAERN O=Cc1ccc(-c2cc3ccccc3s2)s1 ZINC000006252829 369036080 /nfs/dbraw/zinc/03/60/80/369036080.db2.gz VQQZGRFRTGXLQN-UHFFFAOYSA-N 0 0 244.340 4.442 10 0 BIAERN Fc1ccccc1-c1nc2cc(Cl)ccc2o1 ZINC000006258825 181008829 /nfs/dbraw/zinc/00/88/29/181008829.db2.gz QUOYIGDZWJYLKS-UHFFFAOYSA-N 0 0 247.656 4.287 10 0 BIAERN CCc1ccc(CNc2ccc(C)c(C)c2)cc1 ZINC000006319560 171812873 /nfs/dbraw/zinc/81/28/73/171812873.db2.gz GECUVEJSDUHVFT-UHFFFAOYSA-N 0 0 239.362 4.478 10 0 BIAERN COc1ccc2c(-c3ccccc3)coc2c1 ZINC000006470494 175202678 /nfs/dbraw/zinc/20/26/78/175202678.db2.gz JMRUHSORDOXWAZ-UHFFFAOYSA-N 0 0 224.259 4.108 10 0 BIAERN COc1ccc2c(c1)oc(C)c2-c1ccccc1 ZINC000006473028 369048236 /nfs/dbraw/zinc/04/82/36/369048236.db2.gz ZCTICMMJFGSBDF-UHFFFAOYSA-N 0 0 238.286 4.417 10 0 BIAERN Cc1oc2ccccc2c1-c1ccccc1 ZINC000006473056 180533430 /nfs/dbraw/zinc/53/34/30/180533430.db2.gz RTGRNRTWJJCCCJ-UHFFFAOYSA-N 0 0 208.260 4.408 10 0 BIAERN c1ccc(-c2c3c(nc4ccccc42)CCC3)cc1 ZINC000006508510 183378130 /nfs/dbraw/zinc/37/81/30/183378130.db2.gz JUMZQASJVSEKBZ-UHFFFAOYSA-N 0 0 245.325 4.391 10 0 BIAERN Cc1ccc2oc(-c3ccc(C)cc3C)nc2c1 ZINC000006522307 178336672 /nfs/dbraw/zinc/33/66/72/178336672.db2.gz DHZMXZUXCRYOPK-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN Cc1ccc2nc(-c3ccc(C)cc3C)oc2c1 ZINC000006522308 178336696 /nfs/dbraw/zinc/33/66/96/178336696.db2.gz MYZFYEGPZUACTN-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN Cc1ccc2nc(-c3ccccc3Cl)oc2c1 ZINC000006523009 384396705 /nfs/dbraw/zinc/39/67/05/384396705.db2.gz AMNTWRAMQCZJPH-UHFFFAOYSA-N 0 0 243.693 4.457 10 0 BIAERN COc1ccc(-c2ccc3cccc(C)c3n2)cc1 ZINC000006523206 175034617 /nfs/dbraw/zinc/03/46/17/175034617.db2.gz ROHVLUAIQKOCGV-UHFFFAOYSA-N 0 0 249.313 4.219 10 0 BIAERN O[C@H](c1cccs1)c1cc2ccccc2s1 ZINC000006576394 183230804 /nfs/dbraw/zinc/23/08/04/183230804.db2.gz LTSRADGWEZKGIB-CYBMUJFWSA-N 0 0 246.356 4.045 10 0 BIAERN O=C(C=C(Cl)C(Cl)Cl)c1ccccc1 ZINC000006578506 384158951 /nfs/dbraw/zinc/15/89/51/384158951.db2.gz QUFMZYOGBXYASP-UHFFFAOYSA-N 0 0 249.524 4.145 10 0 BIAERN c1cc2cc(-c3ccccc3)oc2s1 ZINC000006727229 183379693 /nfs/dbraw/zinc/37/96/93/183379693.db2.gz JWFVHGXEZLZQJT-UHFFFAOYSA-N 0 0 200.262 4.161 10 0 BIAERN Cc1ccccc1-c1cnc2ccccc2c1 ZINC000006756124 179236583 /nfs/dbraw/zinc/23/65/83/179236583.db2.gz NKJSPXNUUHYPKZ-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN O=Cc1ccc(-c2cc3ccccc3s2)cc1 ZINC000006864884 592727765 /nfs/dbraw/zinc/72/77/65/592727765.db2.gz AXEFEGWKGVRKRQ-UHFFFAOYSA-N 0 0 238.311 4.381 10 0 BIAERN O=Cc1cccc(-c2cc3ccccc3s2)c1 ZINC000006864888 592727763 /nfs/dbraw/zinc/72/77/63/592727763.db2.gz RDSFGWVGUQZTLJ-UHFFFAOYSA-N 0 0 238.311 4.381 10 0 BIAERN O=Cc1ccccc1-c1cc2ccccc2s1 ZINC000006864890 188337422 /nfs/dbraw/zinc/33/74/22/188337422.db2.gz QFEVFARJAOMJJA-UHFFFAOYSA-N 0 0 238.311 4.381 10 0 BIAERN Cc1ccccc1-c1onc2ccc(Cl)cc21 ZINC000006925180 179241556 /nfs/dbraw/zinc/24/15/56/179241556.db2.gz DIZRGEWBJSBUOO-UHFFFAOYSA-N 0 0 243.693 4.457 10 0 BIAERN O=c1c2ccccc2ccc2ccc(Cl)cc21 ZINC000006942458 342779079 /nfs/dbraw/zinc/77/90/79/342779079.db2.gz SUKICQALNDPAMM-UHFFFAOYSA-N 0 0 240.689 4.007 10 0 BIAERN Cc1sc(NC(C)C)nc1-c1ccc(C)cc1 ZINC000007763136 178335591 /nfs/dbraw/zinc/33/55/91/178335591.db2.gz SPJRVPXYXZYOHB-UHFFFAOYSA-N 0 0 246.379 4.247 10 0 BIAERN C(=c1/oc2cccc3cccc1c23)\c1ccccc1 ZINC000008048255 372288565 /nfs/dbraw/zinc/28/85/65/372288565.db2.gz WMLAESPGABWLLS-SFQUDFHCSA-N 0 0 244.293 4.134 10 0 BIAERN Cc1cc(Cl)ccc1O[C@@H](C)c1ccco1 ZINC000008048383 178069537 /nfs/dbraw/zinc/06/95/37/178069537.db2.gz HAZFIFPYXFLOCI-JTQLQIEISA-N 0 0 236.698 4.381 10 0 BIAERN Cc1cc(Cl)ccc1O[C@H](C)c1ccco1 ZINC000008048384 178070215 /nfs/dbraw/zinc/07/02/15/178070215.db2.gz HAZFIFPYXFLOCI-SNVBAGLBSA-N 0 0 236.698 4.381 10 0 BIAERN CC1=CC[C@@]23[C@@H]([C@@H]12)[C@H](C(C)C)CC[C@H]3C ZINC000008234284 168122214 /nfs/dbraw/zinc/12/22/14/168122214.db2.gz XUEHVOLRMXNRKQ-KHMAMNHCSA-N 0 0 204.357 4.271 10 0 endogenous,in-man BIAERN CC(=O)[C@H](c1ccccc1)c1cc(C)ccc1C ZINC000008302260 342835913 /nfs/dbraw/zinc/83/59/13/342835913.db2.gz NSLQRIOVBHDCTI-QGZVFWFLSA-N 0 0 238.330 4.024 10 0 BIAERN CC(=O)[C@@H](c1ccccc1)c1cc(C)ccc1C ZINC000008302284 342835858 /nfs/dbraw/zinc/83/58/58/342835858.db2.gz NSLQRIOVBHDCTI-KRWDZBQOSA-N 0 0 238.330 4.024 10 0 BIAERN Fc1ccc(/C=C\c2ccc(F)cc2)cc1 ZINC000008382266 180961504 /nfs/dbraw/zinc/96/15/04/180961504.db2.gz RBKOGNMZDLWKCL-UPHRSURJSA-N 0 0 216.230 4.135 10 0 BIAERN FC(F)(F)c1cc(Cl)ccc1NCC1CC1 ZINC000008699715 180890969 /nfs/dbraw/zinc/89/09/69/180890969.db2.gz QXULLLNEFPWULH-UHFFFAOYSA-N 0 0 249.663 4.181 10 0 BIAERN Nc1ccc(-c2ccc(Cl)c(Cl)c2)cc1 ZINC000008699771 342802562 /nfs/dbraw/zinc/80/25/62/342802562.db2.gz RMTHXJMUEHILKB-UHFFFAOYSA-N 0 0 238.117 4.243 10 0 BIAERN Nc1ccc(-c2ccc(Cl)cc2Cl)cc1 ZINC000008699773 342802618 /nfs/dbraw/zinc/80/26/18/342802618.db2.gz JOEYVWJDOFQLJM-UHFFFAOYSA-N 0 0 238.117 4.243 10 0 BIAERN CC(=O)C[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000011631252 188339837 /nfs/dbraw/zinc/33/98/37/188339837.db2.gz PLKNEJBNTWQONZ-NSHDSACASA-N 0 0 218.340 4.067 10 0 BIAERN CC(=O)C[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000011631280 344395447 /nfs/dbraw/zinc/39/54/47/344395447.db2.gz CHGLXCGIFWZIOD-ZETCQYMHSA-N 0 0 231.122 4.076 10 0 BIAERN CC(=O)C[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000011631281 187760495 /nfs/dbraw/zinc/76/04/95/187760495.db2.gz CHGLXCGIFWZIOD-SSDOTTSWSA-N 0 0 231.122 4.076 10 0 BIAERN CC(C)c1ccc(C(=O)C(C)(C)C)cc1 ZINC000011631538 344395454 /nfs/dbraw/zinc/39/54/54/344395454.db2.gz RWHOIJOZLFZBPM-UHFFFAOYSA-N 0 0 204.313 4.039 10 0 BIAERN CC(C)c1ccc(C(=O)c2cccs2)cc1 ZINC000011631545 353825308 /nfs/dbraw/zinc/82/53/08/353825308.db2.gz DDCKELQUJFBVAR-UHFFFAOYSA-N 0 0 230.332 4.103 10 0 BIAERN Cc1cccc(C(=O)c2ccc(C(C)C)cc2)c1 ZINC000011631561 179027530 /nfs/dbraw/zinc/02/75/30/179027530.db2.gz DKUNPFLBGINSRN-UHFFFAOYSA-N 0 0 238.330 4.349 10 0 BIAERN Cc1ccc(C(=O)c2ccc(C(C)C)cc2)cc1 ZINC000011631571 187249379 /nfs/dbraw/zinc/24/93/79/187249379.db2.gz MQLAYMBTYFFFDV-UHFFFAOYSA-N 0 0 238.330 4.349 10 0 BIAERN CC(C)c1ccc(C(=O)c2cccc(F)c2)cc1 ZINC000011631580 167590253 /nfs/dbraw/zinc/59/02/53/167590253.db2.gz MMKCQVIDFFPIMH-UHFFFAOYSA-N 0 0 242.293 4.180 10 0 BIAERN CC(C)c1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000011631593 167591244 /nfs/dbraw/zinc/59/12/44/167591244.db2.gz OJEIBTACJKPSNH-UHFFFAOYSA-N 0 0 242.293 4.180 10 0 BIAERN Cc1ccc(C)c(C(=O)c2cccc(Cl)c2)c1 ZINC000011631604 386714596 /nfs/dbraw/zinc/71/45/96/386714596.db2.gz IIHJSZYDAHAITL-UHFFFAOYSA-N 0 0 244.721 4.188 10 0 BIAERN Cc1ccc(C)c(C(=O)c2ccc(Cl)cc2)c1 ZINC000011631611 386714788 /nfs/dbraw/zinc/71/47/88/386714788.db2.gz XXBWDBGTGJWMQG-UHFFFAOYSA-N 0 0 244.721 4.188 10 0 BIAERN Cc1ccc(C)c(C(=O)c2ccc(C)c(C)c2)c1 ZINC000011631634 178468541 /nfs/dbraw/zinc/46/85/41/178468541.db2.gz CQVHYXDIUBPOKL-UHFFFAOYSA-N 0 0 238.330 4.151 10 0 BIAERN CC(C)c1ccc(C(=O)C2CCCC2)cc1 ZINC000011631675 187305227 /nfs/dbraw/zinc/30/52/27/187305227.db2.gz DVZMNDUYSBACJV-UHFFFAOYSA-N 0 0 216.324 4.183 10 0 BIAERN CC(C)(C)c1ccc(C(=O)C2CCCC2)cc1 ZINC000011631676 344395442 /nfs/dbraw/zinc/39/54/42/344395442.db2.gz FYOCFOKRMRZKQQ-UHFFFAOYSA-N 0 0 230.351 4.357 10 0 BIAERN O=C(c1ccc2c(c1)CCCC2)C1CCCCC1 ZINC000011631686 182666908 /nfs/dbraw/zinc/66/69/08/182666908.db2.gz VYFAQFCDQBYQRA-UHFFFAOYSA-N 0 0 242.362 4.328 10 0 BIAERN CC(C)[C@@H]1CNc2c(cccc2C(C)(C)C)C1 ZINC000011633333 188105453 /nfs/dbraw/zinc/10/54/53/188105453.db2.gz NQBJNYXMWJJUBW-ZDUSSCGKSA-N 0 0 231.383 4.224 10 0 BIAERN CC(C)[C@@H]1CNc2ccc(C(C)(C)C)cc2C1 ZINC000011633335 188105141 /nfs/dbraw/zinc/10/51/41/188105141.db2.gz LEMDTRGFTINJAA-ZDUSSCGKSA-N 0 0 231.383 4.224 10 0 BIAERN CCC[C@@H]1CNc2ccc(C(C)C)cc2C1 ZINC000011633393 169423739 /nfs/dbraw/zinc/42/37/39/169423739.db2.gz QAMVKQOVJQMYKA-LBPRGKRZSA-N 0 0 217.356 4.194 10 0 BIAERN CCC[C@H]1CNc2ccc(C(C)C)cc2C1 ZINC000011633394 169530646 /nfs/dbraw/zinc/53/06/46/169530646.db2.gz QAMVKQOVJQMYKA-GFCCVEGCSA-N 0 0 217.356 4.194 10 0 BIAERN CCC[C@H]1CNc2ccc(C(C)(C)C)cc2C1 ZINC000011633398 169530606 /nfs/dbraw/zinc/53/06/06/169530606.db2.gz NZWKVQHXQGPXGZ-GFCCVEGCSA-N 0 0 231.383 4.368 10 0 BIAERN Clc1ccc([C@@H]2CNc3ccccc3C2)cc1 ZINC000011633649 344395986 /nfs/dbraw/zinc/39/59/86/344395986.db2.gz GKNVECZJJRKWLT-ZDUSSCGKSA-N 0 0 243.737 4.092 10 0 BIAERN Clc1ccc([C@H]2CNc3ccccc3C2)cc1 ZINC000011633650 344396001 /nfs/dbraw/zinc/39/60/01/344396001.db2.gz GKNVECZJJRKWLT-CYBMUJFWSA-N 0 0 243.737 4.092 10 0 BIAERN O=Cc1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000011962215 182869708 /nfs/dbraw/zinc/86/97/08/182869708.db2.gz DQJMCXJPJBFAKP-UHFFFAOYSA-N 0 0 248.281 4.445 10 0 BIAERN Cc1cc(Oc2ccc(C=O)cc2)ccc1Cl ZINC000011993714 178214595 /nfs/dbraw/zinc/21/45/95/178214595.db2.gz SOUQMHCBVSIYKA-UHFFFAOYSA-N 0 0 246.693 4.253 10 0 BIAERN Oc1ccc2ccc(-c3ccccc3)cc2c1 ZINC000012353731 183285188 /nfs/dbraw/zinc/28/51/88/183285188.db2.gz MLFRZWHPLMDWES-UHFFFAOYSA-N 0 0 220.271 4.212 10 0 in-vivo BIAERN C(=C\c1ccccc1)\c1c[nH]c2ccccc12 ZINC000012366851 166227540 /nfs/dbraw/zinc/22/75/40/166227540.db2.gz DZMBGFYPZAPYOI-KHPPLWFESA-N 0 0 219.287 4.338 10 0 BIAERN C[C@@H]1[C@@H]2C[C@@H](C[C@@H]2c2ccccc2O)C1(C)C ZINC000012878873 176499492 /nfs/dbraw/zinc/49/94/92/176499492.db2.gz RJZHQMOKFMOSQY-UVLXDEKHSA-N 0 0 230.351 4.178 10 0 BIAERN C[C@H]1[C@@H]2C[C@@H](C[C@@H]2c2ccccc2O)C1(C)C ZINC000012878881 177423070 /nfs/dbraw/zinc/42/30/70/177423070.db2.gz RJZHQMOKFMOSQY-AUZPSNTRSA-N 0 0 230.351 4.178 10 0 BIAERN Clc1ccc2onc(-c3ccccc3)c2c1 ZINC000012958100 346918384 /nfs/dbraw/zinc/91/83/84/346918384.db2.gz UHZCGIVDKPMGOS-UHFFFAOYSA-N 0 0 229.666 4.148 10 0 BIAERN Cc1c2ccccc2oc1C(=O)c1cccs1 ZINC000012980881 177573955 /nfs/dbraw/zinc/57/39/55/177573955.db2.gz NQBCTFQRVUTFRD-UHFFFAOYSA-N 0 0 242.299 4.034 10 0 BIAERN Cc1nccc2ccc(-c3ccccc3)cc21 ZINC000013208819 180208716 /nfs/dbraw/zinc/20/87/16/180208716.db2.gz DHORJVLUEQYKMC-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN CC(C)CCC[C@@H](C)Cc1ccc(O)cc1 ZINC000013319944 384353887 /nfs/dbraw/zinc/35/38/87/384353887.db2.gz QFMWIQGYVNZXKN-CYBMUJFWSA-N 0 0 220.356 4.397 10 0 BIAERN CC(C)CCC[C@H](C)Cc1ccc(O)cc1 ZINC000013319945 384352339 /nfs/dbraw/zinc/35/23/39/384352339.db2.gz QFMWIQGYVNZXKN-ZDUSSCGKSA-N 0 0 220.356 4.397 10 0 BIAERN Cc1coc(C[C@@]2(C)CC[C@@H](c3ccoc3)O2)c1 ZINC000013374018 179756480 /nfs/dbraw/zinc/75/64/80/179756480.db2.gz LMSPQIDVRZANSJ-LSDHHAIUSA-N 0 0 246.306 4.034 10 0 endogenous,in-man BIAERN CC(C)=CCC[C@H](C)[C@H]1C=C[C@](C)(O)CC1 ZINC000013377373 571699619 /nfs/dbraw/zinc/69/96/19/571699619.db2.gz VVCHIOKYQRUBED-KKUMJFAQSA-N 0 0 222.372 4.086 10 0 endogenous,in-man BIAERN CC(C)=CCC[C@@H](C)[C@H]1C=C[C@](C)(O)CC1 ZINC000013377374 571699466 /nfs/dbraw/zinc/69/94/66/571699466.db2.gz VVCHIOKYQRUBED-ILXRZTDVSA-N 0 0 222.372 4.086 10 0 endogenous,in-man BIAERN CC(C)=CCC[C@H](C)[C@@H]1C=C[C@](C)(O)CC1 ZINC000013377375 571699545 /nfs/dbraw/zinc/69/95/45/571699545.db2.gz VVCHIOKYQRUBED-ZNMIVQPWSA-N 0 0 222.372 4.086 10 0 endogenous,in-man BIAERN CC(C)=CCC[C@@H](C)[C@@H]1C=C[C@](C)(O)CC1 ZINC000013377376 571699624 /nfs/dbraw/zinc/69/96/24/571699624.db2.gz VVCHIOKYQRUBED-KFWWJZLASA-N 0 0 222.372 4.086 10 0 endogenous,in-man BIAERN Cc1ccc([C@@H](C)CCC(=O)C(C)C)cc1 ZINC000013377497 571699637 /nfs/dbraw/zinc/69/96/37/571699637.db2.gz UWAKTEDKARQVDV-ZDUSSCGKSA-N 0 0 218.340 4.104 10 0 endogenous,in-man BIAERN Cc1ccc([C@H](C)CCC(=O)C(C)C)cc1 ZINC000013377498 178882269 /nfs/dbraw/zinc/88/22/69/178882269.db2.gz UWAKTEDKARQVDV-CYBMUJFWSA-N 0 0 218.340 4.104 10 0 endogenous,in-man BIAERN Cc1ccc(C(C)C)c2cc(C)c(O)cc12 ZINC000013381371 178277932 /nfs/dbraw/zinc/27/79/32/178277932.db2.gz RIWNMJBJRPCUBX-UHFFFAOYSA-N 0 0 214.308 4.286 10 0 biogenic,in-vitro BIAERN Cc1cc2c(cc1O)C(C)=CC[C@@H]2C(C)C ZINC000013381381 168120148 /nfs/dbraw/zinc/12/01/48/168120148.db2.gz YZHICMXANUYYLB-GFCCVEGCSA-N 0 0 216.324 4.247 10 0 BIAERN Cc1cc2c(cc1O)C(C)=CC[C@H]2C(C)C ZINC000013381382 168116664 /nfs/dbraw/zinc/11/66/64/168116664.db2.gz YZHICMXANUYYLB-LBPRGKRZSA-N 0 0 216.324 4.247 10 0 biogenic,in-vitro BIAERN Cc1cc2c(cc1O)[C@H](C)CC[C@H]2C(C)C ZINC000013381397 560215911 /nfs/dbraw/zinc/21/59/11/560215911.db2.gz UTBFITAKBXMXCZ-PWSUYJOCSA-N 0 0 218.340 4.338 10 0 biogenic,in-vitro BIAERN Oc1ccc2cc(-c3ccccc3)sc2c1 ZINC000013472829 183285195 /nfs/dbraw/zinc/28/51/95/183285195.db2.gz BTCAHHDEULKYID-UHFFFAOYSA-N 0 0 226.300 4.274 10 0 BIAERN O=C(NC1CCCCC1)SC1CCCCC1 ZINC000013493747 343090196 /nfs/dbraw/zinc/09/01/96/343090196.db2.gz MMLUCGIQBBTOTM-UHFFFAOYSA-N 0 0 241.400 4.095 10 0 BIAERN c1ccc2c(c1)[nH]c1c2CCCc2ccccc2-1 ZINC000013532082 384855524 /nfs/dbraw/zinc/85/55/24/384855524.db2.gz JJUGCMUBOQQQNE-UHFFFAOYSA-N 0 0 233.314 4.324 10 0 BIAERN Oc1ccc(C2C3CCCC2CCC3)cc1 ZINC000013588103 183269123 /nfs/dbraw/zinc/26/91/23/183269123.db2.gz BNZRNFYGJADDOM-UHFFFAOYSA-N 0 0 216.324 4.076 10 0 BIAERN CC1(c2ccc(O)cc2)C2CCCC1CCC2 ZINC000013588104 188106011 /nfs/dbraw/zinc/10/60/11/188106011.db2.gz CPTRAZMQFZYHET-UHFFFAOYSA-N 0 0 230.351 4.250 10 0 BIAERN COc1ccc(/C=C/c2cc(F)cc(F)c2)cc1 ZINC000013607296 175048520 /nfs/dbraw/zinc/04/85/20/175048520.db2.gz JXXRRHGSTQRHIL-NSCUHMNNSA-N 0 0 246.256 4.144 10 0 BIAERN COc1ccc(/C=C\c2cc(F)cc(F)c2)cc1 ZINC000013607312 175049186 /nfs/dbraw/zinc/04/91/86/175049186.db2.gz JXXRRHGSTQRHIL-IHWYPQMZSA-N 0 0 246.256 4.144 10 0 BIAERN Clc1ccc2c(c1)CC/C2=C\c1cccnc1 ZINC000013610774 343096622 /nfs/dbraw/zinc/09/66/22/343096622.db2.gz GQENGHZHJWXFLG-XYOKQWHBSA-N 0 0 241.721 4.222 10 0 in-vivo BIAERN Clc1ccc2c(c1)CC/C2=C/c1cccnc1 ZINC000013610777 180586630 /nfs/dbraw/zinc/58/66/30/180586630.db2.gz GQENGHZHJWXFLG-WQLSENKSSA-N 0 0 241.721 4.222 10 0 in-vivo BIAERN Clc1ccc2c(c1)CC/C2=C\c1ccncc1 ZINC000013610827 180586841 /nfs/dbraw/zinc/58/68/41/180586841.db2.gz NFCDNDMUSHGWSU-FMIVXFBMSA-N 0 0 241.721 4.222 10 0 in-vivo BIAERN c1nc(Nc2ccccc2)oc1-c1ccccc1 ZINC000013611247 398050505 /nfs/dbraw/zinc/05/05/05/398050505.db2.gz HFICAVMUTYFODG-UHFFFAOYSA-N 0 0 236.274 4.085 10 0 in-vivo BIAERN Oc1ccc2cc(-c3ccccc3)ccc2c1 ZINC000013644999 183284629 /nfs/dbraw/zinc/28/46/29/183284629.db2.gz PZOXFBPKKGTQDZ-UHFFFAOYSA-N 0 0 220.271 4.212 10 0 in-vivo BIAERN CCSc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000013652170 343099302 /nfs/dbraw/zinc/09/93/02/343099302.db2.gz WKODHJKBOVYZSE-UHFFFAOYSA-N 0 0 245.391 4.169 10 0 BIAERN CCOc1ccc2cc(-c3cccnc3)ccc2c1 ZINC000013674454 343100811 /nfs/dbraw/zinc/10/08/11/343100811.db2.gz CQLHDOYGDGBDQA-UHFFFAOYSA-N 0 0 249.313 4.301 10 0 in-vivo BIAERN CCC1=C(c2cccnc2)CCc2ccccc21 ZINC000013684518 343100509 /nfs/dbraw/zinc/10/05/09/343100509.db2.gz ZKPVULIWDZEZIT-UHFFFAOYSA-N 0 0 235.330 4.349 10 0 in-vivo BIAERN C[C@@H]1CC(c2cccnc2)=Cc2ccccc21 ZINC000013684529 176056102 /nfs/dbraw/zinc/05/61/02/176056102.db2.gz HIOBIABFPPEMPT-GFCCVEGCSA-N 0 0 221.303 4.129 10 0 in-vivo BIAERN C[C@H]1CC(c2cccnc2)=Cc2ccccc21 ZINC000013684533 177066233 /nfs/dbraw/zinc/06/62/33/177066233.db2.gz HIOBIABFPPEMPT-LBPRGKRZSA-N 0 0 221.303 4.129 10 0 in-vivo BIAERN c1[nH]c2ccccc2c1-c1cnc2ccccc2c1 ZINC000013737696 183460123 /nfs/dbraw/zinc/46/01/23/183460123.db2.gz BJQHKICYZOBROI-UHFFFAOYSA-N 0 0 244.297 4.383 10 0 in-vivo BIAERN Fc1cc2cc(-c3ccsc3)cnc2cc1F ZINC000013737708 343101810 /nfs/dbraw/zinc/10/18/10/343101810.db2.gz RAEOQRGQVOSWAJ-UHFFFAOYSA-N 0 0 247.269 4.242 10 0 in-vivo BIAERN CC[C@@H](c1c[nH]cn1)c1cccc2ccccc21 ZINC000013757199 343103286 /nfs/dbraw/zinc/10/32/86/343103286.db2.gz LDZDVSZUAUUBGV-CYBMUJFWSA-N 0 0 236.318 4.105 10 0 in-vivo BIAERN CC[C@H](c1c[nH]cn1)c1cccc2ccccc21 ZINC000013757200 343103295 /nfs/dbraw/zinc/10/32/95/343103295.db2.gz LDZDVSZUAUUBGV-ZDUSSCGKSA-N 0 0 236.318 4.105 10 0 in-vivo BIAERN CC=C(c1c[nH]cn1)c1cccc2ccccc21 ZINC000013757203 188280209 /nfs/dbraw/zinc/28/02/09/188280209.db2.gz VDVBKYMIYSQNPM-XNJYKOPJSA-N 0 0 234.302 4.015 10 0 in-vivo BIAERN CC=C(c1c[nH]cn1)c1cccc2ccccc21 ZINC000013757204 343103289 /nfs/dbraw/zinc/10/32/89/343103289.db2.gz VDVBKYMIYSQNPM-SILLCRNTSA-N 0 0 234.302 4.015 10 0 in-vivo BIAERN c1nc([C@@H]2CCCc3ccc4ccccc4c32)c[nH]1 ZINC000013757210 384867693 /nfs/dbraw/zinc/86/76/93/384867693.db2.gz CLHMVDANOJMUOG-HNNXBMFYSA-N 0 0 248.329 4.031 10 0 BIAERN c1nc([C@H]2CCCc3ccc4ccccc4c32)c[nH]1 ZINC000013757212 384870724 /nfs/dbraw/zinc/87/07/24/384870724.db2.gz CLHMVDANOJMUOG-OAHLLOKOSA-N 0 0 248.329 4.031 10 0 BIAERN Clc1ccc2c(c1)oc1ccccc12 ZINC000013776258 343659039 /nfs/dbraw/zinc/65/90/39/343659039.db2.gz BBOZMMAURMEVAR-UHFFFAOYSA-N 0 0 202.640 4.239 10 0 BIAERN CCCCc1cc2c(cn1)[nH]c1ccccc12 ZINC000013776336 169018622 /nfs/dbraw/zinc/01/86/22/169018622.db2.gz JRGOZUPASNAZDD-UHFFFAOYSA-N 0 0 224.307 4.059 10 0 BIAERN CC(C)c1cc(Cl)cc(C(C)C)c1O ZINC000013779576 342871922 /nfs/dbraw/zinc/87/19/22/342871922.db2.gz ZRTAKZQCHCQFAB-UHFFFAOYSA-N 0 0 212.720 4.292 10 0 in-vivo BIAERN c1cc2ccc(OCc3ccccc3)cc2o1 ZINC000013835573 387591504 /nfs/dbraw/zinc/59/15/04/387591504.db2.gz MWFQJVIPVPMOKH-UHFFFAOYSA-N 0 0 224.259 4.012 10 0 BIAERN CC1=CC[C@H](C(C)(C)OC(=O)CC(C)C)CC1 ZINC000014588967 574413537 /nfs/dbraw/zinc/41/35/37/574413537.db2.gz XRADSECIALQFFY-ZDUSSCGKSA-N 0 0 238.371 4.101 10 0 endogenous,in-man BIAERN CC1=CC[C@@H](C(C)(C)OC(=O)CC(C)C)CC1 ZINC000014588968 574413540 /nfs/dbraw/zinc/41/35/40/574413540.db2.gz XRADSECIALQFFY-CYBMUJFWSA-N 0 0 238.371 4.101 10 0 endogenous,in-man BIAERN C[C@@H]1CCCCCCCCCCCC(=O)O1 ZINC000014592618 571714704 /nfs/dbraw/zinc/71/47/04/571714704.db2.gz FGDBANZBXSVCEG-CYBMUJFWSA-N 0 0 226.360 4.223 10 0 endogenous,in-man BIAERN C[C@H]1CCCCCCCCCCCC(=O)O1 ZINC000014592619 571714813 /nfs/dbraw/zinc/71/48/13/571714813.db2.gz FGDBANZBXSVCEG-ZDUSSCGKSA-N 0 0 226.360 4.223 10 0 endogenous,in-man BIAERN CC(C)=CCC[C@@]1(C)CCc2cc(O)ccc2O1 ZINC000014592946 384932644 /nfs/dbraw/zinc/93/26/44/384932644.db2.gz DQTRQLFOZHHUHJ-INIZCTEOSA-N 0 0 246.350 4.222 10 0 BIAERN CC(C)=CCC[C@]1(C)CCc2cc(O)ccc2O1 ZINC000014592947 343126884 /nfs/dbraw/zinc/12/68/84/343126884.db2.gz DQTRQLFOZHHUHJ-MRXNPFEDSA-N 0 0 246.350 4.222 10 0 BIAERN C[C@@H]1CCCCCCCCCCC(=O)OC1 ZINC000014593788 571714774 /nfs/dbraw/zinc/71/47/74/571714774.db2.gz NFNWPPOMMYDNFQ-CYBMUJFWSA-N 0 0 226.360 4.080 10 0 endogenous,in-man BIAERN C[C@H]1CCCCCCCCCCC(=O)OC1 ZINC000014593789 571714717 /nfs/dbraw/zinc/71/47/17/571714717.db2.gz NFNWPPOMMYDNFQ-ZDUSSCGKSA-N 0 0 226.360 4.080 10 0 endogenous,in-man BIAERN CC(C)CC1=C[C@@H](C)C[C@@H]1C(=O)c1ccoc1 ZINC000014611748 166785324 /nfs/dbraw/zinc/78/53/24/166785324.db2.gz GSSOFUKKBNSDGI-RISCZKNCSA-N 0 0 232.323 4.091 10 0 BIAERN CC(C)CC1=C[C@@H](C)C[C@H]1C(=O)c1ccoc1 ZINC000014611750 166784215 /nfs/dbraw/zinc/78/42/15/166784215.db2.gz GSSOFUKKBNSDGI-BXUZGUMPSA-N 0 0 232.323 4.091 10 0 BIAERN CCCC/C=C/CCc1ccc(O)cc1 ZINC000014616984 188344179 /nfs/dbraw/zinc/34/41/79/188344179.db2.gz UTXMWVVQOZAGKZ-AATRIKPKSA-N 0 0 204.313 4.071 10 0 BIAERN CCC/C=C/CCCc1ccc(O)cc1 ZINC000014616985 188343523 /nfs/dbraw/zinc/34/35/23/188343523.db2.gz WHTYMTFJEIRTRO-SNAWJCMRSA-N 0 0 204.313 4.071 10 0 BIAERN Oc1ccc2c(c1)C=CC=CC(c1ccccc1)=N2 ZINC000014651462 183280707 /nfs/dbraw/zinc/28/07/07/183280707.db2.gz DLUVDUDDNZLZCS-UHFFFAOYSA-N 0 0 247.297 4.096 10 0 biogenic,in-vitro BIAERN C/C=C\c1ccc(OCC=C(C)C)cc1 ZINC000014680245 571718009 /nfs/dbraw/zinc/71/80/09/571718009.db2.gz JGELFJUQMIUNOO-PLNGDYQASA-N 0 0 202.297 4.065 10 0 endogenous,in-man BIAERN Cc1coc2cc(C)c3c(c12)C=C(C)CC3 ZINC000014684254 168132521 /nfs/dbraw/zinc/13/25/21/168132521.db2.gz JSWOSPDHAFLJHZ-UHFFFAOYSA-N 0 0 212.292 4.399 10 0 endogenous,in-man BIAERN CC/C=C\C=C\CCCCCCCCO ZINC000014722270 167857478 /nfs/dbraw/zinc/85/74/78/167857478.db2.gz ZKCFLTTYWFSLDK-DNVGVPOPSA-N 0 0 210.361 4.232 10 0 BIAERN CCCCC/C=C\C/C=C/CCCOC(C)=O ZINC000014771604 192035536 /nfs/dbraw/zinc/03/55/36/192035536.db2.gz LELQZCNRZHLYFG-QEFCTBRHSA-N 0 0 238.371 4.413 10 0 BIAERN C(=C/c1ccccc1)\CCc1ccccc1 ZINC000014880527 347051222 /nfs/dbraw/zinc/05/12/22/347051222.db2.gz NJJOGKAVAWZLAU-NTUHNPAUSA-N 0 0 208.304 4.333 10 0 in-vitro BIAERN C(=C/Cc1ccccc1)\Cc1ccccc1 ZINC000014947459 343135820 /nfs/dbraw/zinc/13/58/20/343135820.db2.gz CTYOBVWQEXIGRQ-BQYQJAHWSA-N 0 0 208.304 4.028 10 0 BIAERN C/C=C/C(=O)Nc1ccc(CCCCCC)cc1 ZINC000014969034 343136737 /nfs/dbraw/zinc/13/67/37/343136737.db2.gz NIGSEPKOJYBKJC-XBXARRHUSA-N 0 0 245.366 4.324 10 0 BIAERN Cc1cc2[nH]ccc2cc1OCc1ccccc1 ZINC000014985757 178276924 /nfs/dbraw/zinc/27/69/24/178276924.db2.gz OQQATFQWJJNYMX-UHFFFAOYSA-N 0 0 237.302 4.055 10 0 BIAERN CC(C)c1cc2[nH]ccc2c(Br)c1 ZINC000014985801 384411625 /nfs/dbraw/zinc/41/16/25/384411625.db2.gz LGQLORJHFRJVBT-UHFFFAOYSA-N 0 0 238.128 4.054 10 0 BIAERN Cc1sc2c(cccc2Br)c1C ZINC000015043091 342891111 /nfs/dbraw/zinc/89/11/11/342891111.db2.gz ZWAGRKBMKKSXJN-UHFFFAOYSA-N 0 0 241.153 4.281 10 0 BIAERN CCCCC[C@@H]1CCO[C@@H](CCCCC)O1 ZINC000015121889 571732347 /nfs/dbraw/zinc/73/23/47/571732347.db2.gz JTGGXBHDIVDFHP-ZIAGYGMSSA-N 0 0 228.376 4.279 10 0 endogenous,in-man BIAERN CCCCC[C@@H]1OCC[C@H](CCCCC)O1 ZINC000015121890 571732127 /nfs/dbraw/zinc/73/21/27/571732127.db2.gz JTGGXBHDIVDFHP-UONOGXRCSA-N 0 0 228.376 4.279 10 0 endogenous,in-man BIAERN CCCCC[C@@H]1CCO[C@H](CCCCC)O1 ZINC000015121891 571732395 /nfs/dbraw/zinc/73/23/95/571732395.db2.gz JTGGXBHDIVDFHP-KGLIPLIRSA-N 0 0 228.376 4.279 10 0 endogenous,in-man BIAERN CCCCC[C@H]1CCO[C@H](CCCCC)O1 ZINC000015121892 571732280 /nfs/dbraw/zinc/73/22/80/571732280.db2.gz JTGGXBHDIVDFHP-KBPBESRZSA-N 0 0 228.376 4.279 10 0 endogenous,in-man BIAERN CCCCC/C=C\CC/C=C/C(=O)OCC ZINC000015146062 188168401 /nfs/dbraw/zinc/16/84/01/188168401.db2.gz AASSLPGKTZCKLS-YILALFFRSA-N 0 0 224.344 4.022 10 0 endogenous,in-man BIAERN COCCCCCCCCCCCCOC ZINC000015146153 174176039 /nfs/dbraw/zinc/17/60/39/174176039.db2.gz CFUFEIWWICPJOZ-UHFFFAOYSA-N 0 0 230.392 4.180 10 0 BIAERN Cc1coc2c1C(=O)C[C@H](C)CC/C=C(\C)C2 ZINC000015160658 384730576 /nfs/dbraw/zinc/73/05/76/384730576.db2.gz DSKCIJFGYRMPRF-VUUNSECVSA-N 0 0 232.323 4.080 10 0 BIAERN Cc1coc2c1C(=O)C[C@@H](C)CC/C=C(\C)C2 ZINC000015160659 384730868 /nfs/dbraw/zinc/73/08/68/384730868.db2.gz DSKCIJFGYRMPRF-OTXQMUPVSA-N 0 0 232.323 4.080 10 0 BIAERN CCc1ccc(C(=O)CCc2ccccc2)cc1 ZINC000015205526 367658912 /nfs/dbraw/zinc/65/89/12/367658912.db2.gz HEGQFJOJBBHKQY-UHFFFAOYSA-N 0 0 238.330 4.065 10 0 BIAERN CC1=C2C[C@@H](C(C)(C)O)CC[C@@]2(C)CCC1 ZINC000015209449 168090684 /nfs/dbraw/zinc/09/06/84/168090684.db2.gz WMOPMQRJLLIEJV-SWLSCSKDSA-N 0 0 222.372 4.064 10 0 BIAERN CC1=C2C[C@H](C(C)(C)O)CC[C@@]2(C)CCC1 ZINC000015209451 168091004 /nfs/dbraw/zinc/09/10/04/168091004.db2.gz WMOPMQRJLLIEJV-IUODEOHRSA-N 0 0 222.372 4.064 10 0 biogenic,in-vitro BIAERN CC1=C2C[C@@H](C(C)(C)O)CC[C@]2(C)CCC1 ZINC000015209453 560229292 /nfs/dbraw/zinc/22/92/92/560229292.db2.gz WMOPMQRJLLIEJV-WFASDCNBSA-N 0 0 222.372 4.064 10 0 biogenic,in-vitro BIAERN CC(C)=C1CC[C@]2(C)CCC[C@@](C)(O)[C@@H]2C1 ZINC000015209600 256528573 /nfs/dbraw/zinc/52/85/73/256528573.db2.gz STRABSCAWZINIF-QLFBSQMISA-N 0 0 222.372 4.064 10 0 BIAERN CC(C)=C1CC[C@]2(C)CCC[C@](C)(O)[C@@H]2C1 ZINC000015209604 256528517 /nfs/dbraw/zinc/52/85/17/256528517.db2.gz STRABSCAWZINIF-ILXRZTDVSA-N 0 0 222.372 4.064 10 0 BIAERN Cc1coc2c1cc(C)c1c2[C@H](C)CCC1 ZINC000015212855 178278100 /nfs/dbraw/zinc/27/81/00/178278100.db2.gz LBXSOZAXYXJJLL-SECBINFHSA-N 0 0 214.308 4.489 10 0 biogenic,in-vitro BIAERN Cc1coc2c1cc(C)c1c2[C@@H](C)CCC1 ZINC000015212860 178278186 /nfs/dbraw/zinc/27/81/86/178278186.db2.gz LBXSOZAXYXJJLL-VIFPVBQESA-N 0 0 214.308 4.489 10 0 BIAERN Cc1cc([C@@]2(C)CCCC2(C)C)ccc1O ZINC000015273618 290798116 /nfs/dbraw/zinc/79/81/16/290798116.db2.gz QJUBWAMLEYNCBE-OAHLLOKOSA-N 0 0 218.340 4.168 10 0 biogenic,in-vitro BIAERN Cc1cc(O)cc([C@@]2(C)CCCC2(C)C)c1 ZINC000015273697 560230120 /nfs/dbraw/zinc/23/01/20/560230120.db2.gz QJDMTYBHCOWYOF-OAHLLOKOSA-N 0 0 218.340 4.168 10 0 biogenic,in-vitro BIAERN CC(C)c1ccc(C(=O)Cc2ccccc2)cc1 ZINC000015441655 385273043 /nfs/dbraw/zinc/27/30/43/385273043.db2.gz IXQBDUBHYLQTOZ-UHFFFAOYSA-N 0 0 238.330 4.235 10 0 BIAERN CCCc1ccc(C(=O)Cc2ccccc2)cc1 ZINC000015441658 385272867 /nfs/dbraw/zinc/27/28/67/385272867.db2.gz LOBLWOYNOUKTAC-UHFFFAOYSA-N 0 0 238.330 4.065 10 0 BIAERN c1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000015773542 183383285 /nfs/dbraw/zinc/38/32/85/183383285.db2.gz ODKHOKLXMBWVOQ-UHFFFAOYSA-N 0 0 221.259 4.009 10 0 BIAERN O=C(c1cc2ccccc2s1)c1ccccc1 ZINC000015780808 385344595 /nfs/dbraw/zinc/34/45/95/385344595.db2.gz KXWSLCVIAOCIQA-UHFFFAOYSA-N 0 0 238.311 4.132 10 0 BIAERN c1ccc(Sc2cncc3ccccc32)cc1 ZINC000015781056 183423640 /nfs/dbraw/zinc/42/36/40/183423640.db2.gz ASKMIGSIGYTPAT-UHFFFAOYSA-N 0 0 237.327 4.386 10 0 BIAERN Cc1cc(C)cc(-c2nc3ccccc3o2)c1 ZINC000016052440 384103185 /nfs/dbraw/zinc/10/31/85/384103185.db2.gz BIHLSRJPJFOESJ-UHFFFAOYSA-N 0 0 223.275 4.112 10 0 in-vivo BIAERN O=Cc1cccc(-c2csc3ccccc32)c1 ZINC000016946000 343389521 /nfs/dbraw/zinc/38/95/21/343389521.db2.gz MVRRENSHDVSHHZ-UHFFFAOYSA-N 0 0 238.311 4.381 10 0 BIAERN CSc1ccc(-c2cccc(C(C)=O)c2)cc1 ZINC000016946131 187416617 /nfs/dbraw/zinc/41/66/17/187416617.db2.gz GPLGUAVVQSDPAQ-UHFFFAOYSA-N 0 0 242.343 4.278 10 0 BIAERN CSc1ccc(-c2cccc(C)c2)cc1 ZINC000016947077 187310813 /nfs/dbraw/zinc/31/08/13/187310813.db2.gz CMDVEBWRBDBBOG-UHFFFAOYSA-N 0 0 214.333 4.384 10 0 BIAERN Cc1ccc(-c2ccc3[nH]ccc3c2)cc1 ZINC000016947251 178325861 /nfs/dbraw/zinc/32/58/61/178325861.db2.gz UPEZZOOZPQQCTL-UHFFFAOYSA-N 0 0 207.276 4.143 10 0 BIAERN Cc1cccc(-c2ccc3[nH]ccc3c2)c1 ZINC000016947273 178993266 /nfs/dbraw/zinc/99/32/66/178993266.db2.gz JLHWBTNHOBEMLY-UHFFFAOYSA-N 0 0 207.276 4.143 10 0 BIAERN CC(=O)c1cccc(-c2ccc(Cl)c(F)c2)c1 ZINC000016947334 166470260 /nfs/dbraw/zinc/47/02/60/166470260.db2.gz DJSKHUKXBVBHPS-UHFFFAOYSA-N 0 0 248.684 4.349 10 0 BIAERN Cc1ccccc1-c1ccc2[nH]ccc2c1 ZINC000016947354 179236440 /nfs/dbraw/zinc/23/64/40/179236440.db2.gz QTJWDCYMGQMCDJ-UHFFFAOYSA-N 0 0 207.276 4.143 10 0 BIAERN CSc1ccc(-c2ccc(C(C)=O)cc2)cc1 ZINC000016947376 343389279 /nfs/dbraw/zinc/38/92/79/343389279.db2.gz ORXCVHABGOLGPZ-UHFFFAOYSA-N 0 0 242.343 4.278 10 0 BIAERN c1cc2cc(-c3cnc4ccccc4c3)ccc2[nH]1 ZINC000016947418 384473814 /nfs/dbraw/zinc/47/38/14/384473814.db2.gz QFUFWWPOBOWYPI-UHFFFAOYSA-N 0 0 244.297 4.383 10 0 BIAERN Oc1cccc(-c2ccccc2C(F)(F)F)c1 ZINC000016947484 183286421 /nfs/dbraw/zinc/28/64/21/183286421.db2.gz VOYIDQCBPSHHEX-UHFFFAOYSA-N 0 0 238.208 4.078 10 0 BIAERN Fc1cc(-c2ccsc2)ccc1Cl ZINC000016947555 180946809 /nfs/dbraw/zinc/94/68/09/180946809.db2.gz BESZTLMZJCIIRN-UHFFFAOYSA-N 0 0 212.676 4.208 10 0 BIAERN CC(C)(C)c1ccc(-c2ccccc2O)cc1 ZINC000016947781 187416718 /nfs/dbraw/zinc/41/67/18/187416718.db2.gz XMNBZNJXCALTBK-UHFFFAOYSA-N 0 0 226.319 4.357 10 0 BIAERN CC(C)(C)c1ccc(-c2ccc(N)c(F)c2)cc1 ZINC000016947801 205461477 /nfs/dbraw/zinc/46/14/77/205461477.db2.gz MFBVWDQMAOOBKG-UHFFFAOYSA-N 0 0 243.325 4.372 10 0 BIAERN CC(C)(C)c1ccc(-c2ccc(CO)cc2)cc1 ZINC000016947816 188529132 /nfs/dbraw/zinc/52/91/32/188529132.db2.gz DAFNTWFRQYYEOK-UHFFFAOYSA-N 0 0 240.346 4.143 10 0 BIAERN CC(=O)c1ccc(-c2cnc3ccccc3c2)cc1 ZINC000016947828 166450910 /nfs/dbraw/zinc/45/09/10/166450910.db2.gz PUXCJWKYYGVZOX-UHFFFAOYSA-N 0 0 247.297 4.104 10 0 BIAERN CSc1ccc(-c2ccccc2C(C)=O)cc1 ZINC000016947939 188107230 /nfs/dbraw/zinc/10/72/30/188107230.db2.gz OGGMGWJJGBDHAI-UHFFFAOYSA-N 0 0 242.343 4.278 10 0 BIAERN CC(=O)c1ccccc1-c1cnc2ccccc2c1 ZINC000016947974 166480648 /nfs/dbraw/zinc/48/06/48/166480648.db2.gz QYTSEBAQDOZWLZ-UHFFFAOYSA-N 0 0 247.297 4.104 10 0 BIAERN Oc1ccccc1-c1ccccc1C(F)(F)F ZINC000016948321 183298780 /nfs/dbraw/zinc/29/87/80/183298780.db2.gz BWIUWPAMPSDRAX-UHFFFAOYSA-N 0 0 238.208 4.078 10 0 BIAERN O[C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1C1CCCCC1 ZINC000017106119 343392202 /nfs/dbraw/zinc/39/22/02/343392202.db2.gz PEYQURPOCQODNT-KLHDSHLOSA-N 0 0 236.399 4.144 10 0 BIAERN [N-]=[N+]=NC(=O)N(c1ccccc1)c1ccccc1 ZINC000017164548 487884149 /nfs/dbraw/zinc/88/41/49/487884149.db2.gz FTGQOWKFJNMITD-UHFFFAOYSA-N 0 0 238.250 4.255 10 0 BIAERN N#Cc1ccc(/C=C2\C=Cc3ccccc32)cc1 ZINC000017380749 343410482 /nfs/dbraw/zinc/41/04/82/343410482.db2.gz WYRSEGHRHYPFFS-LFIBNONCSA-N 0 0 229.282 4.126 10 0 BIAERN COc1ccc(Cl)cc1N[C@@H](C)CC(C)C ZINC000019230277 259378251 /nfs/dbraw/zinc/37/82/51/259378251.db2.gz BAEHPJUXRJVVNM-JTQLQIEISA-N 0 0 241.762 4.195 10 0 BIAERN COc1ccc(Cl)cc1N[C@H](C)CC(C)C ZINC000019230278 259378159 /nfs/dbraw/zinc/37/81/59/259378159.db2.gz BAEHPJUXRJVVNM-SNVBAGLBSA-N 0 0 241.762 4.195 10 0 BIAERN CCC[C@@H](C)Nc1ccccc1N1CCCCC1 ZINC000019230784 132324430 /nfs/dbraw/zinc/32/44/30/132324430.db2.gz PBHSYUMLLONZIX-CQSZACIVSA-N 0 0 246.398 4.277 10 0 BIAERN CCC[C@H](C)Nc1ccccc1N1CCCCC1 ZINC000019230785 132324446 /nfs/dbraw/zinc/32/44/46/132324446.db2.gz PBHSYUMLLONZIX-AWEZNQCLSA-N 0 0 246.398 4.277 10 0 BIAERN C[C@@H]1CCCC[C@@H]1Nc1ccc2c(c1)CCC2 ZINC000019230849 176081685 /nfs/dbraw/zinc/08/16/85/176081685.db2.gz BAIHUHIHZXRVHA-WBMJQRKESA-N 0 0 229.367 4.166 10 0 BIAERN C[C@H]1CCCC[C@@H]1Nc1ccc2c(c1)CCC2 ZINC000019230850 177083721 /nfs/dbraw/zinc/08/37/21/177083721.db2.gz BAIHUHIHZXRVHA-LRDDRELGSA-N 0 0 229.367 4.166 10 0 BIAERN C[C@@H]1CCCC[C@H]1Nc1ccc2c(c1)CCC2 ZINC000019230851 176089081 /nfs/dbraw/zinc/08/90/81/176089081.db2.gz BAIHUHIHZXRVHA-MLGOLLRUSA-N 0 0 229.367 4.166 10 0 BIAERN C[C@H]1CCCC[C@H]1Nc1ccc2c(c1)CCC2 ZINC000019230852 177089431 /nfs/dbraw/zinc/08/94/31/177089431.db2.gz BAIHUHIHZXRVHA-BLLLJJGKSA-N 0 0 229.367 4.166 10 0 BIAERN CCCCCNc1ccc(C(C)C)cc1 ZINC000019231371 168722321 /nfs/dbraw/zinc/72/23/21/168722321.db2.gz YGGCFKWCUUAWNI-UHFFFAOYSA-N 0 0 205.345 4.412 10 0 BIAERN CC[C@@H](C)Nc1ccc(-c2csc(C)n2)cc1 ZINC000019231495 170759196 /nfs/dbraw/zinc/75/91/96/170759196.db2.gz DNKJYNUMYYOPAM-SNVBAGLBSA-N 0 0 246.379 4.329 10 0 BIAERN CC[C@H](C)Nc1ccc(-c2csc(C)n2)cc1 ZINC000019231496 171349453 /nfs/dbraw/zinc/34/94/53/171349453.db2.gz DNKJYNUMYYOPAM-JTQLQIEISA-N 0 0 246.379 4.329 10 0 BIAERN Cc1ccccc1NC[C@H](C)c1ccccc1 ZINC000019231649 179305043 /nfs/dbraw/zinc/30/50/43/179305043.db2.gz NYHROQXIHHXDIU-AWEZNQCLSA-N 0 0 225.335 4.211 10 0 BIAERN Cc1ccccc1NC[C@@H](C)c1ccccc1 ZINC000019231650 179304795 /nfs/dbraw/zinc/30/47/95/179304795.db2.gz NYHROQXIHHXDIU-CQSZACIVSA-N 0 0 225.335 4.211 10 0 BIAERN Cc1ccc(N[C@@H]2CCCc3ccccc32)cc1 ZINC000019233067 178772813 /nfs/dbraw/zinc/77/28/13/178772813.db2.gz LFAMLJVLIKAENV-QGZVFWFLSA-N 0 0 237.346 4.485 10 0 BIAERN Nc1cccc(COc2ccc3ccccc3c2)c1 ZINC000019394682 181743860 /nfs/dbraw/zinc/74/38/60/181743860.db2.gz BFMAZORNZJDALM-UHFFFAOYSA-N 0 0 249.313 4.001 10 0 BIAERN Nc1cccc(OCc2cccc3ccccc32)c1 ZINC000019397965 343141244 /nfs/dbraw/zinc/14/12/44/343141244.db2.gz NLURXJCLTMEGAL-UHFFFAOYSA-N 0 0 249.313 4.001 10 0 BIAERN C[C@@H](OCc1ccc(Cl)nc1)c1ccccc1 ZINC000019401902 176003190 /nfs/dbraw/zinc/00/31/90/176003190.db2.gz VASNNYZYRXWBAK-LLVKDONJSA-N 0 0 247.725 4.013 10 0 BIAERN C[C@H](OCc1ccc(Cl)nc1)c1ccccc1 ZINC000019401905 177021767 /nfs/dbraw/zinc/02/17/67/177021767.db2.gz VASNNYZYRXWBAK-NSHDSACASA-N 0 0 247.725 4.013 10 0 BIAERN CC[C@H](C)Nc1ccc(Cl)c(Cl)c1 ZINC000019772209 171349399 /nfs/dbraw/zinc/34/93/99/171349399.db2.gz LZGPPLUBQNSQJX-ZETCQYMHSA-N 0 0 218.127 4.204 10 0 BIAERN CC[C@H](C)Nc1cc(Cl)ccc1Cl ZINC000019772220 171349541 /nfs/dbraw/zinc/34/95/41/171349541.db2.gz PCNNZERYDBTPQQ-ZETCQYMHSA-N 0 0 218.127 4.204 10 0 BIAERN CC(=O)c1ccc(C(C)C)cc1C(C)C ZINC000019803172 188281776 /nfs/dbraw/zinc/28/17/76/188281776.db2.gz XOPUXCIYHBVIAW-UHFFFAOYSA-N 0 0 204.313 4.136 10 0 BIAERN Cc1sc2nc(C(C)C)nc(Cl)c2c1C ZINC000019803859 589984740 /nfs/dbraw/zinc/98/47/40/589984740.db2.gz HNFPDBHOJBSJGW-UHFFFAOYSA-N 0 0 240.759 4.085 10 0 BIAERN CNc1ccccc1-c1nc2ccccc2s1 ZINC000019807577 173482114 /nfs/dbraw/zinc/48/21/14/173482114.db2.gz BWMDKIMWJSGVIW-UHFFFAOYSA-N 0 0 240.331 4.005 10 0 BIAERN CCc1ccc(CSc2ccccc2N)s1 ZINC000019809507 171814246 /nfs/dbraw/zinc/81/42/46/171814246.db2.gz QAALHILIDCBYJL-UHFFFAOYSA-N 0 0 249.404 4.185 10 0 BIAERN CC(C)CCSc1ccc(Cl)cc1N ZINC000019815383 166889987 /nfs/dbraw/zinc/88/99/87/166889987.db2.gz FMDMCTUOHYJEJS-UHFFFAOYSA-N 0 0 229.776 4.060 10 0 BIAERN Nc1cc(Cl)ccc1SCc1ccccc1 ZINC000019815495 354051910 /nfs/dbraw/zinc/05/19/10/354051910.db2.gz YCTODQUNXUTJHC-UHFFFAOYSA-N 0 0 249.766 4.215 10 0 BIAERN Nc1cccc(Cl)c1Sc1ccccc1 ZINC000019845495 181745050 /nfs/dbraw/zinc/74/50/50/181745050.db2.gz YVRNCTWELUQZEM-UHFFFAOYSA-N 0 0 235.739 4.073 10 0 BIAERN Nc1cccc(Cl)c1SCc1ccccc1 ZINC000019845525 181744528 /nfs/dbraw/zinc/74/45/28/181744528.db2.gz XNSVFQRJBKTRNE-UHFFFAOYSA-N 0 0 249.766 4.215 10 0 BIAERN Nc1ccccc1Sc1ccccc1Cl ZINC000019845559 181758104 /nfs/dbraw/zinc/75/81/04/181758104.db2.gz HLHDYSGUUBWQPX-UHFFFAOYSA-N 0 0 235.739 4.073 10 0 BIAERN Cc1cc(Cl)ccc1Oc1ccccc1N ZINC000019845745 178070589 /nfs/dbraw/zinc/07/05/89/178070589.db2.gz GVEVNXBQDSJXDI-UHFFFAOYSA-N 0 0 233.698 4.023 10 0 BIAERN C[C@@H](Oc1ccc(Cl)cc1N)c1ccccc1 ZINC000019845864 176003564 /nfs/dbraw/zinc/00/35/64/176003564.db2.gz XHYICFWFOHDTFE-SNVBAGLBSA-N 0 0 247.725 4.062 10 0 BIAERN C[C@H](Oc1ccc(Cl)cc1N)c1ccccc1 ZINC000019845865 177022453 /nfs/dbraw/zinc/02/24/53/177022453.db2.gz XHYICFWFOHDTFE-JTQLQIEISA-N 0 0 247.725 4.062 10 0 BIAERN C[C@@H](Oc1ccc(N)cc1Cl)c1ccccc1 ZINC000019845870 176005173 /nfs/dbraw/zinc/00/51/73/176005173.db2.gz BHWOUPGVOLGQCR-SNVBAGLBSA-N 0 0 247.725 4.062 10 0 BIAERN C[C@H](Oc1ccc(N)cc1Cl)c1ccccc1 ZINC000019845871 177023025 /nfs/dbraw/zinc/02/30/25/177023025.db2.gz BHWOUPGVOLGQCR-JTQLQIEISA-N 0 0 247.725 4.062 10 0 BIAERN C[C@@H](Oc1c(N)cccc1Cl)c1ccccc1 ZINC000019845876 176003629 /nfs/dbraw/zinc/00/36/29/176003629.db2.gz OJBRCKIISAVHMK-SNVBAGLBSA-N 0 0 247.725 4.062 10 0 BIAERN C[C@H](Oc1c(N)cccc1Cl)c1ccccc1 ZINC000019845877 177022358 /nfs/dbraw/zinc/02/23/58/177022358.db2.gz OJBRCKIISAVHMK-JTQLQIEISA-N 0 0 247.725 4.062 10 0 BIAERN Nc1ccccc1CSc1ccccc1Cl ZINC000019846265 181754804 /nfs/dbraw/zinc/75/48/04/181754804.db2.gz ZDSQLYFTRMDJTI-UHFFFAOYSA-N 0 0 249.766 4.215 10 0 BIAERN CC[C@H](C)Sc1ccc(C(F)(F)F)cc1N ZINC000019869618 171357188 /nfs/dbraw/zinc/35/71/88/171357188.db2.gz XMAOUONOYMQQOG-ZETCQYMHSA-N 0 0 249.301 4.178 10 0 BIAERN CC(C)(C)Sc1ccc(N)c(C(F)(F)F)c1 ZINC000019869653 166691637 /nfs/dbraw/zinc/69/16/37/166691637.db2.gz NHKRYWHALVVSOR-UHFFFAOYSA-N 0 0 249.301 4.178 10 0 BIAERN CC(=O)c1ccc(Oc2ccc(C)cc2)c(F)c1 ZINC000019871321 384544269 /nfs/dbraw/zinc/54/42/69/384544269.db2.gz KFDSEXHRYGBVFY-UHFFFAOYSA-N 0 0 244.265 4.129 10 0 BIAERN CC(=O)c1c(F)cccc1Oc1ccc(C)cc1 ZINC000019871324 166435542 /nfs/dbraw/zinc/43/55/42/166435542.db2.gz PLWMJEFACVIITE-UHFFFAOYSA-N 0 0 244.265 4.129 10 0 BIAERN CC(=O)c1ccccc1Oc1ccc(Cl)cc1 ZINC000019871499 384993614 /nfs/dbraw/zinc/99/36/14/384993614.db2.gz QWBGJPLBGAOISQ-UHFFFAOYSA-N 0 0 246.693 4.335 10 0 BIAERN CC(=O)c1ccc(Oc2cccc(C)c2)c(F)c1 ZINC000019871505 384545089 /nfs/dbraw/zinc/54/50/89/384545089.db2.gz AGFZKEHGHLOSKJ-UHFFFAOYSA-N 0 0 244.265 4.129 10 0 BIAERN CC(=O)c1ccc(Oc2ccccc2C)c(F)c1 ZINC000019871513 384545236 /nfs/dbraw/zinc/54/52/36/384545236.db2.gz KCAVPTAQUQMIKB-UHFFFAOYSA-N 0 0 244.265 4.129 10 0 BIAERN CC(=O)c1c(F)cccc1Oc1ccccc1C ZINC000019871519 166435443 /nfs/dbraw/zinc/43/54/43/166435443.db2.gz SHOKFUABHYXDMW-UHFFFAOYSA-N 0 0 244.265 4.129 10 0 BIAERN CC(=O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000019871547 187418167 /nfs/dbraw/zinc/41/81/67/187418167.db2.gz LLSIXNNZOJEFCK-UHFFFAOYSA-N 0 0 246.693 4.335 10 0 BIAERN CC(=O)c1ccc(SCc2ccccc2)cc1 ZINC000019871703 343139812 /nfs/dbraw/zinc/13/98/12/343139812.db2.gz DDEHZHHUIYWAIA-UHFFFAOYSA-N 0 0 242.343 4.182 10 0 BIAERN CC(=O)c1ccc(Sc2ccc(F)cc2)cc1 ZINC000019871748 343139915 /nfs/dbraw/zinc/13/99/15/343139915.db2.gz IJIARVBNMQXHPG-UHFFFAOYSA-N 0 0 246.306 4.180 10 0 BIAERN CC(=O)c1ccccc1Sc1ccc(F)cc1 ZINC000019871752 166484579 /nfs/dbraw/zinc/48/45/79/166484579.db2.gz GXXFGQQZRSSGHY-UHFFFAOYSA-N 0 0 246.306 4.180 10 0 BIAERN Cc1ccc([C@H](C)Nc2ccccc2)cc1 ZINC000019879298 178900782 /nfs/dbraw/zinc/90/07/82/178900782.db2.gz FUMMTNFGMROHPC-ZDUSSCGKSA-N 0 0 211.308 4.168 10 0 BIAERN CC[C@@H](Nc1ccccc1)c1ccccc1 ZINC000019879300 342960970 /nfs/dbraw/zinc/96/09/70/342960970.db2.gz KYJKITQCBFVYDT-OAHLLOKOSA-N 0 0 211.308 4.250 10 0 BIAERN CC[C@H](Nc1ccccc1)c1ccccc1 ZINC000019879302 342960806 /nfs/dbraw/zinc/96/08/06/342960806.db2.gz KYJKITQCBFVYDT-HNNXBMFYSA-N 0 0 211.308 4.250 10 0 BIAERN C[C@H](Nc1ccccc1)c1c(F)cccc1F ZINC000019879332 176936798 /nfs/dbraw/zinc/93/67/98/176936798.db2.gz FJVMYSUKGYNWHT-JTQLQIEISA-N 0 0 233.261 4.138 10 0 BIAERN CC[C@H](Nc1ccccc1)c1ccc(F)cc1 ZINC000019879414 171552134 /nfs/dbraw/zinc/55/21/34/171552134.db2.gz GPGRJOCAHIHGNR-HNNXBMFYSA-N 0 0 229.298 4.389 10 0 BIAERN c1ccc(N[C@@H]2CCSc3ccccc32)cc1 ZINC000019879461 183418392 /nfs/dbraw/zinc/41/83/92/183418392.db2.gz SOJMLIQVNHUDJF-CQSZACIVSA-N 0 0 241.359 4.336 10 0 BIAERN Cc1ccccc1[C@@H](C)Nc1ccccc1 ZINC000019879472 179322575 /nfs/dbraw/zinc/32/25/75/179322575.db2.gz HFCVXWGJZKTSQX-CYBMUJFWSA-N 0 0 211.308 4.168 10 0 BIAERN Cc1ccccc1[C@H](C)Nc1ccccc1 ZINC000019879475 179340475 /nfs/dbraw/zinc/34/04/75/179340475.db2.gz HFCVXWGJZKTSQX-ZDUSSCGKSA-N 0 0 211.308 4.168 10 0 BIAERN C[C@H](Nc1ccccc1)c1ccc(F)cc1F ZINC000019879509 176936762 /nfs/dbraw/zinc/93/67/62/176936762.db2.gz WLURMKJVVKMBBG-JTQLQIEISA-N 0 0 233.261 4.138 10 0 BIAERN CC[C@@H](Nc1ccccc1)c1ccc(OC)cc1 ZINC000019879521 170916585 /nfs/dbraw/zinc/91/65/85/170916585.db2.gz GDWAOJMKYYJLPY-MRXNPFEDSA-N 0 0 241.334 4.258 10 0 BIAERN C[C@H](Nc1ccccc1)c1cc(F)ccc1F ZINC000019879550 176936604 /nfs/dbraw/zinc/93/66/04/176936604.db2.gz GKYDKLNWRKXSEY-JTQLQIEISA-N 0 0 233.261 4.138 10 0 BIAERN COc1ccc(C)cc1[C@@H](C)Nc1ccccc1 ZINC000019879567 175079377 /nfs/dbraw/zinc/07/93/77/175079377.db2.gz RAJTWFHJNAUXDK-CYBMUJFWSA-N 0 0 241.334 4.177 10 0 BIAERN COc1ccc(C)cc1[C@H](C)Nc1ccccc1 ZINC000019879569 175081401 /nfs/dbraw/zinc/08/14/01/175081401.db2.gz RAJTWFHJNAUXDK-ZDUSSCGKSA-N 0 0 241.334 4.177 10 0 BIAERN COc1ccc([C@@H](C)Nc2ccccc2)cc1F ZINC000019879680 175177931 /nfs/dbraw/zinc/17/79/31/175177931.db2.gz BCQRTUXWGZFQJK-LLVKDONJSA-N 0 0 245.297 4.007 10 0 BIAERN COc1ccc([C@H](C)Nc2ccccc2)cc1F ZINC000019879682 175190046 /nfs/dbraw/zinc/19/00/46/175190046.db2.gz BCQRTUXWGZFQJK-NSHDSACASA-N 0 0 245.297 4.007 10 0 BIAERN C[C@H](Nc1cccnc1)c1ccc2ccccc2c1 ZINC000019884286 176936655 /nfs/dbraw/zinc/93/66/55/176936655.db2.gz PSPBRQPTGWPYFB-ZDUSSCGKSA-N 0 0 248.329 4.408 10 0 BIAERN CC[C@@H](Nc1cccnc1)c1cccc(Cl)c1 ZINC000019884313 170917055 /nfs/dbraw/zinc/91/70/55/170917055.db2.gz HWTYYFBYQRLLII-CQSZACIVSA-N 0 0 246.741 4.298 10 0 BIAERN Cc1cc(C)c([C@@H](C)Nc2cccnc2)c(C)c1 ZINC000019884397 177871356 /nfs/dbraw/zinc/87/13/56/177871356.db2.gz DPKZTYQVIMDJDZ-CQSZACIVSA-N 0 0 240.350 4.180 10 0 BIAERN CCCc1ccc([C@H](C)Nc2cccnc2)cc1 ZINC000019884446 169575285 /nfs/dbraw/zinc/57/52/85/169575285.db2.gz HVRXTUWPUSIOHI-ZDUSSCGKSA-N 0 0 240.350 4.207 10 0 BIAERN C[C@@H](Nc1cccnc1)c1cc2ccccc2o1 ZINC000019884521 175935235 /nfs/dbraw/zinc/93/52/35/175935235.db2.gz DFBZWLCCAJVHAM-LLVKDONJSA-N 0 0 238.290 4.001 10 0 BIAERN C[C@H](Nc1cccnc1)c1cc2ccccc2o1 ZINC000019884523 176936779 /nfs/dbraw/zinc/93/67/79/176936779.db2.gz DFBZWLCCAJVHAM-NSHDSACASA-N 0 0 238.290 4.001 10 0 BIAERN CCC[C@H](Nc1cccnc1)c1ccccc1 ZINC000019884570 169514108 /nfs/dbraw/zinc/51/41/08/169514108.db2.gz QBXCTXPOVCOZSK-HNNXBMFYSA-N 0 0 226.323 4.035 10 0 BIAERN Clc1ccc(Cl)c(NCc2ccco2)c1 ZINC000019900473 180581449 /nfs/dbraw/zinc/58/14/49/180581449.db2.gz MZKNMPBNIIWKPL-UHFFFAOYSA-N 0 0 242.105 4.199 10 0 BIAERN C[C@@H](Nc1cccc2cccnc21)c1ccccc1 ZINC000019903654 175933781 /nfs/dbraw/zinc/93/37/81/175933781.db2.gz IHDNHRULXIOQCS-CYBMUJFWSA-N 0 0 248.329 4.408 10 0 BIAERN C[C@H](Nc1cccc2cccnc21)c1ccccc1 ZINC000019903655 176935739 /nfs/dbraw/zinc/93/57/39/176935739.db2.gz IHDNHRULXIOQCS-ZDUSSCGKSA-N 0 0 248.329 4.408 10 0 BIAERN Clc1ccc(NCc2ccco2)c(Cl)c1 ZINC000019905531 180583111 /nfs/dbraw/zinc/58/31/11/180583111.db2.gz SEYKTIYEGYOTMY-UHFFFAOYSA-N 0 0 242.105 4.199 10 0 BIAERN C[C@@H](Nc1cccc2c1CCCC2)c1ccco1 ZINC000019906206 347314330 /nfs/dbraw/zinc/31/43/30/347314330.db2.gz GTTIIKHRRWAAGN-GFCCVEGCSA-N 0 0 241.334 4.332 10 0 BIAERN C[C@H](Nc1cccc2c1CCCC2)c1ccco1 ZINC000019906207 176935612 /nfs/dbraw/zinc/93/56/12/176935612.db2.gz GTTIIKHRRWAAGN-LBPRGKRZSA-N 0 0 241.334 4.332 10 0 BIAERN CSc1ccc(NCCc2ccccc2)cc1 ZINC000019906336 188461494 /nfs/dbraw/zinc/46/14/94/188461494.db2.gz SBPLUKXZESJSRP-UHFFFAOYSA-N 0 0 243.375 4.063 10 0 BIAERN CC(C)CNc1ccccc1SC(F)F ZINC000019906626 167019587 /nfs/dbraw/zinc/01/95/87/167019587.db2.gz CSGMEIXHJWKUMS-UHFFFAOYSA-N 0 0 231.311 4.069 10 0 BIAERN C[C@H](Nc1ccccc1SC(F)F)C1CC1 ZINC000019906651 176936619 /nfs/dbraw/zinc/93/66/19/176936619.db2.gz ZVMSTIKMLJCEBP-QMMMGPOBSA-N 0 0 243.322 4.212 10 0 BIAERN CC(C)[C@@H](C)Nc1ccccc1SC(F)F ZINC000019906657 167387242 /nfs/dbraw/zinc/38/72/42/167387242.db2.gz CQQQKTLWIUPKFZ-SECBINFHSA-N 0 0 245.338 4.458 10 0 BIAERN CC[C@H](C)Nc1ccccc1SC(F)F ZINC000019906672 171350237 /nfs/dbraw/zinc/35/02/37/171350237.db2.gz ZCMHVPMYQKCGEE-QMMMGPOBSA-N 0 0 231.311 4.212 10 0 BIAERN C[C@H](Nc1cccc2ncccc21)c1ccccc1 ZINC000019906810 176935621 /nfs/dbraw/zinc/93/56/21/176935621.db2.gz LIVNTHIEHGMPJT-ZDUSSCGKSA-N 0 0 248.329 4.408 10 0 BIAERN CC(C)c1ccccc1N[C@@H](C)c1ccccn1 ZINC000019907228 342962884 /nfs/dbraw/zinc/96/28/84/342962884.db2.gz ZYPMDIAENMJYPO-ZDUSSCGKSA-N 0 0 240.350 4.378 10 0 BIAERN CC(C)c1ccccc1N[C@H](C)c1ccccn1 ZINC000019907229 167641152 /nfs/dbraw/zinc/64/11/52/167641152.db2.gz ZYPMDIAENMJYPO-CYBMUJFWSA-N 0 0 240.350 4.378 10 0 BIAERN CC(C)c1ccccc1N[C@@H](C)c1ccncc1 ZINC000019907230 167641100 /nfs/dbraw/zinc/64/11/00/167641100.db2.gz KODXBWKZPGLMQW-ZDUSSCGKSA-N 0 0 240.350 4.378 10 0 BIAERN CC(C)c1ccccc1N[C@@H](C)C1CC1 ZINC000019907244 342962902 /nfs/dbraw/zinc/96/29/02/342962902.db2.gz YZWCOKKFVLHQJU-NSHDSACASA-N 0 0 203.329 4.020 10 0 BIAERN CC(C)c1ccccc1N[C@H](C)C1CC1 ZINC000019907246 167640794 /nfs/dbraw/zinc/64/07/94/167640794.db2.gz YZWCOKKFVLHQJU-LLVKDONJSA-N 0 0 203.329 4.020 10 0 BIAERN Fc1ccc(F)c(N[C@@H]2CCc3ccccc32)c1 ZINC000019907845 180974995 /nfs/dbraw/zinc/97/49/95/180974995.db2.gz WXVNUTSDRCPPJW-CQSZACIVSA-N 0 0 245.272 4.064 10 0 BIAERN Cc1ccc([C@@H](C)Nc2cc(F)ccc2F)o1 ZINC000019907847 178851616 /nfs/dbraw/zinc/85/16/16/178851616.db2.gz QYAACNLRBGHPSX-SECBINFHSA-N 0 0 237.249 4.039 10 0 BIAERN C[C@@H](Nc1ccc2c(c1)CCC2)c1cccs1 ZINC000019913819 175932405 /nfs/dbraw/zinc/93/24/05/175932405.db2.gz QEZZHCDPQVOLJL-LLVKDONJSA-N 0 0 243.375 4.410 10 0 BIAERN C[C@@H](Nc1cccc(Cl)c1)c1ccc(O)cc1 ZINC000019920343 175932940 /nfs/dbraw/zinc/93/29/40/175932940.db2.gz RHPMYOXBTTXXMQ-SNVBAGLBSA-N 0 0 247.725 4.219 10 0 BIAERN C[C@@H](Nc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000019921086 175930575 /nfs/dbraw/zinc/93/05/75/175930575.db2.gz NKAGAXCSJBOHFH-SNVBAGLBSA-N 0 0 247.725 4.219 10 0 BIAERN C[C@H](Nc1ccc(Cl)cc1)c1ccc(O)cc1 ZINC000019921089 187253267 /nfs/dbraw/zinc/25/32/67/187253267.db2.gz NKAGAXCSJBOHFH-JTQLQIEISA-N 0 0 247.725 4.219 10 0 BIAERN C[C@@H](Nc1ccc(Cl)cc1)c1cccc(O)c1 ZINC000019921213 175930388 /nfs/dbraw/zinc/93/03/88/175930388.db2.gz JRGBIYLKVSRPBC-SNVBAGLBSA-N 0 0 247.725 4.219 10 0 BIAERN CCC(CC)Nc1ccccc1Br ZINC000019922657 168393763 /nfs/dbraw/zinc/39/37/63/168393763.db2.gz SPKJZLMFVBBJAO-UHFFFAOYSA-N 0 0 242.160 4.050 10 0 BIAERN CCC[C@@H](C)Nc1ccccc1Br ZINC000019922911 169372647 /nfs/dbraw/zinc/37/26/47/169372647.db2.gz GXVNVUKYCYCGTD-SECBINFHSA-N 0 0 242.160 4.050 10 0 BIAERN CCC[C@H](C)Nc1ccccc1Br ZINC000019922914 169494575 /nfs/dbraw/zinc/49/45/75/169494575.db2.gz GXVNVUKYCYCGTD-VIFPVBQESA-N 0 0 242.160 4.050 10 0 BIAERN CCC(CC)Nc1ccc(Br)cc1 ZINC000019923096 168393664 /nfs/dbraw/zinc/39/36/64/168393664.db2.gz DEMJUYPLWFJIQC-UHFFFAOYSA-N 0 0 242.160 4.050 10 0 BIAERN CCC[C@@H](C)Nc1ccc(Br)cc1 ZINC000019923290 169371448 /nfs/dbraw/zinc/37/14/48/169371448.db2.gz GOWNCWATSKWHHP-SECBINFHSA-N 0 0 242.160 4.050 10 0 BIAERN CCC(CC)Nc1cccc(Br)c1 ZINC000019941756 168394165 /nfs/dbraw/zinc/39/41/65/168394165.db2.gz ZGIWOENLXQVUES-UHFFFAOYSA-N 0 0 242.160 4.050 10 0 BIAERN CCC[C@@H](C)Nc1cccc(Br)c1 ZINC000019941922 169372625 /nfs/dbraw/zinc/37/26/25/169372625.db2.gz AXPVEDFRPZPEKW-SECBINFHSA-N 0 0 242.160 4.050 10 0 BIAERN C[C@@H](Nc1ccccc1Cl)c1ccco1 ZINC000019942637 175933896 /nfs/dbraw/zinc/93/38/96/175933896.db2.gz VTWMXVDSOJRJBR-SECBINFHSA-N 0 0 221.687 4.106 10 0 BIAERN C[C@H](Nc1ccccc1Cl)c1ccco1 ZINC000019942639 176936337 /nfs/dbraw/zinc/93/63/37/176936337.db2.gz VTWMXVDSOJRJBR-VIFPVBQESA-N 0 0 221.687 4.106 10 0 BIAERN C[C@H](Nc1ccccc1Cl)c1cccc(O)c1 ZINC000019942692 176936601 /nfs/dbraw/zinc/93/66/01/176936601.db2.gz BREXSDQBHZKJIN-JTQLQIEISA-N 0 0 247.725 4.219 10 0 BIAERN COc1ccccc1[C@@H](C)Nc1ccccc1F ZINC000019944331 175346035 /nfs/dbraw/zinc/34/60/35/175346035.db2.gz HWBMHYIJSQQOGJ-LLVKDONJSA-N 0 0 245.297 4.007 10 0 BIAERN COc1ccccc1[C@H](C)Nc1ccccc1F ZINC000019944332 175352169 /nfs/dbraw/zinc/35/21/69/175352169.db2.gz HWBMHYIJSQQOGJ-NSHDSACASA-N 0 0 245.297 4.007 10 0 BIAERN C[C@H](Nc1ccccc1F)c1ccc(F)cc1 ZINC000019944417 176936577 /nfs/dbraw/zinc/93/65/77/176936577.db2.gz MWFPWGREDMXFGM-JTQLQIEISA-N 0 0 233.261 4.138 10 0 BIAERN COc1ccc([C@@H](C)Nc2ccccc2F)cc1 ZINC000019944445 175177711 /nfs/dbraw/zinc/17/77/11/175177711.db2.gz VOFWUCMPFWMXIO-LLVKDONJSA-N 0 0 245.297 4.007 10 0 BIAERN COc1ccc([C@H](C)Nc2ccccc2F)cc1 ZINC000019944449 175190246 /nfs/dbraw/zinc/19/02/46/175190246.db2.gz VOFWUCMPFWMXIO-NSHDSACASA-N 0 0 245.297 4.007 10 0 BIAERN COc1cccc([C@@H](C)Nc2ccccc2F)c1 ZINC000019944468 175287383 /nfs/dbraw/zinc/28/73/83/175287383.db2.gz FJALASLQLSHLAC-LLVKDONJSA-N 0 0 245.297 4.007 10 0 BIAERN COc1cccc([C@H](C)Nc2ccccc2F)c1 ZINC000019944471 175294188 /nfs/dbraw/zinc/29/41/88/175294188.db2.gz FJALASLQLSHLAC-NSHDSACASA-N 0 0 245.297 4.007 10 0 BIAERN Cc1ccccc1[C@@H](C)Nc1ccccc1F ZINC000019944571 179322611 /nfs/dbraw/zinc/32/26/11/179322611.db2.gz UWASJYGKGXAYRM-GFCCVEGCSA-N 0 0 229.298 4.307 10 0 BIAERN Cc1ccccc1[C@H](C)Nc1ccccc1F ZINC000019944574 179340838 /nfs/dbraw/zinc/34/08/38/179340838.db2.gz UWASJYGKGXAYRM-LBPRGKRZSA-N 0 0 229.298 4.307 10 0 BIAERN C[C@@H](Nc1ccc(F)cc1F)c1ccccc1 ZINC000019951909 175930936 /nfs/dbraw/zinc/93/09/36/175930936.db2.gz BSGYWYAESIXKJK-SNVBAGLBSA-N 0 0 233.261 4.138 10 0 BIAERN Fc1ccc(N[C@@H]2CCc3ccccc32)c(F)c1 ZINC000019952077 180978825 /nfs/dbraw/zinc/97/88/25/180978825.db2.gz VYPMPSDKDFQCAY-CQSZACIVSA-N 0 0 245.272 4.064 10 0 BIAERN Cc1cc(C)cc(N[C@H](C)c2ccc(O)cc2)c1 ZINC000019952688 177910281 /nfs/dbraw/zinc/91/02/81/177910281.db2.gz IYQZREWQXFLDKZ-CYBMUJFWSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1ccc([C@H](C)Nc2cc(C)cc(C)c2)o1 ZINC000019952822 177909807 /nfs/dbraw/zinc/90/98/07/177909807.db2.gz CDYUZIXBIBEGGI-ZDUSSCGKSA-N 0 0 229.323 4.378 10 0 BIAERN Cc1cc(C)cc(N[C@H](C)c2cccc(O)c2)c1 ZINC000019952929 177910085 /nfs/dbraw/zinc/91/00/85/177910085.db2.gz MGZXQTLDSPQPGA-CYBMUJFWSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1ccc(F)cc1N[C@@H](C)c1ccc(O)cc1 ZINC000019953341 178691163 /nfs/dbraw/zinc/69/11/63/178691163.db2.gz NGIORKAFRZRNLE-NSHDSACASA-N 0 0 245.297 4.013 10 0 BIAERN Cc1ccc(F)cc1N[C@H](C)c1cccc(O)c1 ZINC000019953591 178692302 /nfs/dbraw/zinc/69/23/02/178692302.db2.gz RRKHRDOWVFTQTF-LLVKDONJSA-N 0 0 245.297 4.013 10 0 BIAERN CCc1ccccc1N[C@@H](C)c1ccc(O)cc1 ZINC000019956488 171889546 /nfs/dbraw/zinc/88/95/46/171889546.db2.gz FBSIOPSHLMBNQF-LBPRGKRZSA-N 0 0 241.334 4.128 10 0 BIAERN CCc1ccccc1N[C@@H](C)c1cccc(O)c1 ZINC000019956704 171889112 /nfs/dbraw/zinc/88/91/12/171889112.db2.gz SQSXCDWEUDYLAN-LBPRGKRZSA-N 0 0 241.334 4.128 10 0 BIAERN CCc1ccccc1N[C@H](C)c1cccc(O)c1 ZINC000019956709 171889743 /nfs/dbraw/zinc/88/97/43/171889743.db2.gz SQSXCDWEUDYLAN-GFCCVEGCSA-N 0 0 241.334 4.128 10 0 BIAERN Cc1cc(F)ccc1N[C@H](C)c1ccc(O)cc1 ZINC000019961108 178091016 /nfs/dbraw/zinc/09/10/16/178091016.db2.gz HQXLOTSTJAZJDT-LLVKDONJSA-N 0 0 245.297 4.013 10 0 BIAERN Cc1cc(F)ccc1N[C@@H](C)c1ccc(O)cc1 ZINC000019961112 178091184 /nfs/dbraw/zinc/09/11/84/178091184.db2.gz HQXLOTSTJAZJDT-NSHDSACASA-N 0 0 245.297 4.013 10 0 BIAERN Cc1cc(F)ccc1N[C@H](C)c1cccc(O)c1 ZINC000019961330 178090446 /nfs/dbraw/zinc/09/04/46/178090446.db2.gz WIPBWZHILPLMOQ-LLVKDONJSA-N 0 0 245.297 4.013 10 0 BIAERN Cc1cc(F)ccc1N[C@@H](C)c1cccc(O)c1 ZINC000019961334 178091284 /nfs/dbraw/zinc/09/12/84/178091284.db2.gz WIPBWZHILPLMOQ-NSHDSACASA-N 0 0 245.297 4.013 10 0 BIAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000019961790 176931660 /nfs/dbraw/zinc/93/16/60/176931660.db2.gz ZBQUPYXCYNKMEP-JTQLQIEISA-N 0 0 233.261 4.138 10 0 BIAERN C[C@@H](Nc1cc(F)cc(F)c1)c1cccs1 ZINC000019961860 175929327 /nfs/dbraw/zinc/92/93/27/175929327.db2.gz FJUUFKGANYXUFC-MRVPVSSYSA-N 0 0 239.290 4.199 10 0 BIAERN Cc1ccc([C@H](C)Nc2cc(F)cc(F)c2)o1 ZINC000019961899 178899889 /nfs/dbraw/zinc/89/98/89/178899889.db2.gz LOSSITMCXJSCIJ-VIFPVBQESA-N 0 0 237.249 4.039 10 0 BIAERN CCc1cccc(N[C@@H](C)c2ccc(O)cc2)c1 ZINC000019962138 171863696 /nfs/dbraw/zinc/86/36/96/171863696.db2.gz KLEXFBGRHHPBTQ-LBPRGKRZSA-N 0 0 241.334 4.128 10 0 BIAERN CCc1cccc(N[C@H](C)c2cccc(O)c2)c1 ZINC000019962236 171863657 /nfs/dbraw/zinc/86/36/57/171863657.db2.gz PSYRGPBANKYVCR-GFCCVEGCSA-N 0 0 241.334 4.128 10 0 BIAERN Cc1cccc(N[C@H](C)c2ccc(O)cc2)c1C ZINC000019964259 179155922 /nfs/dbraw/zinc/15/59/22/179155922.db2.gz HHHAGVMUGJXHHV-CYBMUJFWSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1cccc(N[C@@H](C)c2ccc(O)cc2)c1C ZINC000019964260 179153220 /nfs/dbraw/zinc/15/32/20/179153220.db2.gz HHHAGVMUGJXHHV-ZDUSSCGKSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1cccc(N[C@H](C)c2cccc(O)c2)c1C ZINC000019964314 179156689 /nfs/dbraw/zinc/15/66/89/179156689.db2.gz GXQYVPHQCKSBDX-CYBMUJFWSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1cccc(N[C@@H](C)c2cccc(O)c2)c1C ZINC000019964315 179152988 /nfs/dbraw/zinc/15/29/88/179152988.db2.gz GXQYVPHQCKSBDX-ZDUSSCGKSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1ccc(NCc2ccc([C@H]3C[C@H]3C)o2)cc1 ZINC000019964395 178763575 /nfs/dbraw/zinc/76/35/75/178763575.db2.gz TVOLMRCIOOQVAY-DOMZBBRYSA-N 0 0 241.334 4.324 10 0 BIAERN Cc1ccc(NCc2ccc([C@H]3C[C@@H]3C)o2)cc1 ZINC000019964396 178764032 /nfs/dbraw/zinc/76/40/32/178764032.db2.gz TVOLMRCIOOQVAY-WFASDCNBSA-N 0 0 241.334 4.324 10 0 BIAERN Cc1ccc(C)c(N[C@H](C)c2ccc(O)cc2)c1 ZINC000019964600 178486115 /nfs/dbraw/zinc/48/61/15/178486115.db2.gz MMEVLMHZOWYFSF-CYBMUJFWSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1ccc(C)c(N[C@@H](C)c2ccc(O)cc2)c1 ZINC000019964601 178486192 /nfs/dbraw/zinc/48/61/92/178486192.db2.gz MMEVLMHZOWYFSF-ZDUSSCGKSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1ccc(C)c(N[C@@H](C)c2cccc(O)c2)c1 ZINC000019964649 178485975 /nfs/dbraw/zinc/48/59/75/178485975.db2.gz GSBXJGVZIBESJM-ZDUSSCGKSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1ccc([C@@H](C)Nc2ccccc2C)cc1 ZINC000019964966 385235444 /nfs/dbraw/zinc/23/54/44/385235444.db2.gz AVVJHPIUYZOURK-CQSZACIVSA-N 0 0 225.335 4.477 10 0 BIAERN Cc1ccc([C@H](C)Nc2ccccc2C)cc1 ZINC000019964967 178901239 /nfs/dbraw/zinc/90/12/39/178901239.db2.gz AVVJHPIUYZOURK-AWEZNQCLSA-N 0 0 225.335 4.477 10 0 BIAERN COc1ccccc1[C@@H](C)Nc1ccccc1C ZINC000019964972 175346362 /nfs/dbraw/zinc/34/63/62/175346362.db2.gz YFYLXOZPUGQBOL-CYBMUJFWSA-N 0 0 241.334 4.177 10 0 BIAERN COc1ccccc1[C@H](C)Nc1ccccc1C ZINC000019964973 175351795 /nfs/dbraw/zinc/35/17/95/175351795.db2.gz YFYLXOZPUGQBOL-ZDUSSCGKSA-N 0 0 241.334 4.177 10 0 BIAERN COc1ccc([C@@H](C)Nc2ccccc2C)cc1 ZINC000019965009 175177785 /nfs/dbraw/zinc/17/77/85/175177785.db2.gz XDNIUWHKKMXBKD-CYBMUJFWSA-N 0 0 241.334 4.177 10 0 BIAERN COc1ccc([C@H](C)Nc2ccccc2C)cc1 ZINC000019965010 175190232 /nfs/dbraw/zinc/19/02/32/175190232.db2.gz XDNIUWHKKMXBKD-ZDUSSCGKSA-N 0 0 241.334 4.177 10 0 BIAERN Cc1ccccc1N[C@@H]1CCc2ccccc21 ZINC000019965011 179307248 /nfs/dbraw/zinc/30/72/48/179307248.db2.gz QBBXLIVSOJXYTG-MRXNPFEDSA-N 0 0 223.319 4.094 10 0 BIAERN Cc1ccccc1N[C@H]1CCc2ccccc21 ZINC000019965012 179306738 /nfs/dbraw/zinc/30/67/38/179306738.db2.gz QBBXLIVSOJXYTG-INIZCTEOSA-N 0 0 223.319 4.094 10 0 BIAERN Cc1ccc([C@@H](C)Nc2ccccc2C)o1 ZINC000019965013 385236288 /nfs/dbraw/zinc/23/62/88/385236288.db2.gz NBAHQBNJNSZKPC-GFCCVEGCSA-N 0 0 215.296 4.070 10 0 BIAERN Cc1ccc([C@H](C)Nc2ccccc2C)o1 ZINC000019965014 347329735 /nfs/dbraw/zinc/32/97/35/347329735.db2.gz NBAHQBNJNSZKPC-LBPRGKRZSA-N 0 0 215.296 4.070 10 0 BIAERN COc1cccc([C@@H](C)Nc2ccccc2C)c1 ZINC000019965015 175288000 /nfs/dbraw/zinc/28/80/00/175288000.db2.gz IBBMPZZVKXWOIB-CYBMUJFWSA-N 0 0 241.334 4.177 10 0 BIAERN COc1cccc([C@H](C)Nc2ccccc2C)c1 ZINC000019965016 175293840 /nfs/dbraw/zinc/29/38/40/175293840.db2.gz IBBMPZZVKXWOIB-ZDUSSCGKSA-N 0 0 241.334 4.177 10 0 BIAERN CC[C@H](Nc1ccccc1C)c1ccc(O)cc1 ZINC000019965023 171552233 /nfs/dbraw/zinc/55/22/33/171552233.db2.gz UQSHUMLCSLLPFI-HNNXBMFYSA-N 0 0 241.334 4.264 10 0 BIAERN CCNc1cc(Cl)c(Cl)cc1Cl ZINC000019981654 170171743 /nfs/dbraw/zinc/17/17/43/170171743.db2.gz PMVUMSHUNIFRAT-UHFFFAOYSA-N 0 0 224.518 4.079 10 0 BIAERN CC(C)CCNc1ccccc1OC(F)(F)F ZINC000019981810 166869373 /nfs/dbraw/zinc/86/93/73/166869373.db2.gz PSELVVBQZYDGIP-UHFFFAOYSA-N 0 0 247.260 4.043 10 0 BIAERN Cc1ccccc1[C@@H](C)Nc1ccc(F)cc1F ZINC000019988777 179322826 /nfs/dbraw/zinc/32/28/26/179322826.db2.gz JYAMKZBAVHLXIB-LLVKDONJSA-N 0 0 247.288 4.446 10 0 BIAERN Cc1ccccc1[C@H](C)Nc1ccc(F)cc1F ZINC000019988781 179340673 /nfs/dbraw/zinc/34/06/73/179340673.db2.gz JYAMKZBAVHLXIB-NSHDSACASA-N 0 0 247.288 4.446 10 0 BIAERN CCCCCNc1ccnc2cc(Cl)ccc21 ZINC000019992476 343139822 /nfs/dbraw/zinc/13/98/22/343139822.db2.gz UEWFGTQFNDQROK-UHFFFAOYSA-N 0 0 248.757 4.490 10 0 BIAERN CC(C)(C)C1CCC(Nc2cccnc2)CC1 ZINC000019994393 166544209 /nfs/dbraw/zinc/54/42/09/166544209.db2.gz GJYOFGZDCDNDQO-UHFFFAOYSA-N 0 0 232.371 4.098 10 0 BIAERN Cc1cc(Oc2ccccc2N)ccc1C(C)C ZINC000019995678 178215709 /nfs/dbraw/zinc/21/57/09/178215709.db2.gz CYJOTQJTUMFVIQ-UHFFFAOYSA-N 0 0 241.334 4.493 10 0 BIAERN Cc1ccc([C@H](C)Nc2ccc(F)c(F)c2)cc1 ZINC000019996409 178899378 /nfs/dbraw/zinc/89/93/78/178899378.db2.gz JZCTVXNCWSUEDA-NSHDSACASA-N 0 0 247.288 4.446 10 0 BIAERN c1cc2cc(NCC3CCCCC3)ccc2[nH]1 ZINC000019997276 183374883 /nfs/dbraw/zinc/37/48/83/183374883.db2.gz UKWJPZBOXQHIDV-UHFFFAOYSA-N 0 0 228.339 4.160 10 0 BIAERN CCc1ccc(CNc2cccc(CC)c2)cc1 ZINC000019998383 171813503 /nfs/dbraw/zinc/81/35/03/171813503.db2.gz XXZPRMCQGREGPG-UHFFFAOYSA-N 0 0 239.362 4.424 10 0 BIAERN CC(C)CNc1ccc(Cl)cc1Cl ZINC000019999821 167016863 /nfs/dbraw/zinc/01/68/63/167016863.db2.gz QGTLZHHFVYUJRD-UHFFFAOYSA-N 0 0 218.127 4.061 10 0 BIAERN CCCCNc1cccc(Cl)c1Cl ZINC000020001232 168880567 /nfs/dbraw/zinc/88/05/67/168880567.db2.gz IHWBZLURJICAAE-UHFFFAOYSA-N 0 0 218.127 4.205 10 0 BIAERN c1ccc(CCNc2cccc3ccccc32)cc1 ZINC000020003250 183394734 /nfs/dbraw/zinc/39/47/34/183394734.db2.gz GXSCPSMITCFJAD-UHFFFAOYSA-N 0 0 247.341 4.494 10 0 BIAERN CCc1cccc(NC[C@H](C)c2ccccc2)c1 ZINC000020004012 171862652 /nfs/dbraw/zinc/86/26/52/171862652.db2.gz QYGYIRMZPGDKRO-AWEZNQCLSA-N 0 0 239.362 4.465 10 0 BIAERN CCC[C@@H](C)CNc1ccccc1Cl ZINC000020004489 169361298 /nfs/dbraw/zinc/36/12/98/169361298.db2.gz WISMADKJHGXYAB-SNVBAGLBSA-N 0 0 211.736 4.188 10 0 BIAERN CCC[C@H](C)CNc1ccccc1Cl ZINC000020004492 169484199 /nfs/dbraw/zinc/48/41/99/169484199.db2.gz WISMADKJHGXYAB-JTQLQIEISA-N 0 0 211.736 4.188 10 0 BIAERN CC[C@H](C)Nc1cccc(Cl)c1Cl ZINC000020007127 171350478 /nfs/dbraw/zinc/35/04/78/171350478.db2.gz ACVXBQVHFNXIHE-ZETCQYMHSA-N 0 0 218.127 4.204 10 0 BIAERN CCC(CC)CNc1ccc(SC)cc1 ZINC000020011178 168366815 /nfs/dbraw/zinc/36/68/15/168366815.db2.gz DOZLIGPYIWQIIW-UHFFFAOYSA-N 0 0 223.385 4.257 10 0 BIAERN CC(C)Nc1ccccc1Oc1ccccc1 ZINC000020012115 167149953 /nfs/dbraw/zinc/14/99/53/167149953.db2.gz OLFKMZCHXJRYSX-UHFFFAOYSA-N 0 0 227.307 4.299 10 0 BIAERN CC(C)CNc1ccc(C(C)(C)C)cc1 ZINC000020014573 167017078 /nfs/dbraw/zinc/01/70/78/167017078.db2.gz GRSKYVAXODMHFR-UHFFFAOYSA-N 0 0 205.345 4.052 10 0 BIAERN Cc1ccc(NCC2CCCCC2)cc1C ZINC000020014579 187253198 /nfs/dbraw/zinc/25/31/98/187253198.db2.gz YRDFOVOCOCXXGM-UHFFFAOYSA-N 0 0 217.356 4.296 10 0 BIAERN Cc1cccc(NCC2CCCCC2)c1C ZINC000020022181 179143792 /nfs/dbraw/zinc/14/37/92/179143792.db2.gz VTYCNSYISOIUDC-UHFFFAOYSA-N 0 0 217.356 4.296 10 0 BIAERN CCc1ccccc1NCc1ccc(C)cc1 ZINC000020022669 385513939 /nfs/dbraw/zinc/51/39/39/385513939.db2.gz OTQOBUVIJDGGKW-UHFFFAOYSA-N 0 0 225.335 4.170 10 0 BIAERN O=Cc1ccccc1Oc1ccc2ccccc2c1 ZINC000020023130 384567944 /nfs/dbraw/zinc/56/79/44/384567944.db2.gz PCSFHBJBTGMNJA-UHFFFAOYSA-N 0 0 248.281 4.445 10 0 BIAERN CCCCCNc1cccc(SC)c1 ZINC000020038967 168721993 /nfs/dbraw/zinc/72/19/93/168721993.db2.gz PWGPDHXLSJWFQW-UHFFFAOYSA-N 0 0 209.358 4.011 10 0 BIAERN CCCCCNc1ccc(SC)cc1 ZINC000020043756 168721969 /nfs/dbraw/zinc/72/19/69/168721969.db2.gz ZFGZHTRHZWVJDZ-UHFFFAOYSA-N 0 0 209.358 4.011 10 0 BIAERN CCCCCNc1ccccc1Br ZINC000020051587 168722680 /nfs/dbraw/zinc/72/26/80/168722680.db2.gz WKSBGCHLXMPNTL-UHFFFAOYSA-N 0 0 242.160 4.051 10 0 BIAERN Cc1ccc(NCc2ccc(F)cc2Cl)cc1 ZINC000020055955 178763385 /nfs/dbraw/zinc/76/33/85/178763385.db2.gz TVHCBPUFHHJBPJ-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN Nc1cccc(Cl)c1Sc1cccs1 ZINC000020078047 181744792 /nfs/dbraw/zinc/74/47/92/181744792.db2.gz UFYMIYXSJCVDKS-UHFFFAOYSA-N 0 0 241.768 4.135 10 0 BIAERN CC(=O)c1ccccc1Sc1cccs1 ZINC000020078257 166485165 /nfs/dbraw/zinc/48/51/65/166485165.db2.gz OIJFGVDWWZRCHS-UHFFFAOYSA-N 0 0 234.345 4.102 10 0 BIAERN CCN(c1ccccc1)c1ccc(N)cc1Cl ZINC000020081253 347517665 /nfs/dbraw/zinc/51/76/65/347517665.db2.gz UDBRZFRLJQBTJU-UHFFFAOYSA-N 0 0 246.741 4.080 10 0 BIAERN CCN(c1ccccc1)c1c(N)cccc1Cl ZINC000020081256 169943547 /nfs/dbraw/zinc/94/35/47/169943547.db2.gz PZNYVXZCCAVVGP-UHFFFAOYSA-N 0 0 246.741 4.080 10 0 BIAERN Cc1nc([C@@H](C)Nc2ccccc2C)c(C)s1 ZINC000020092943 538930473 /nfs/dbraw/zinc/93/04/73/538930473.db2.gz KBNCRILXJICEOZ-SNVBAGLBSA-N 0 0 246.379 4.241 10 0 BIAERN Cc1nc([C@H](C)Nc2ccccc2C)c(C)s1 ZINC000020092945 538930713 /nfs/dbraw/zinc/93/07/13/538930713.db2.gz KBNCRILXJICEOZ-JTQLQIEISA-N 0 0 246.379 4.241 10 0 BIAERN C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccco1 ZINC000020124249 384577808 /nfs/dbraw/zinc/57/78/08/384577808.db2.gz RHYIGBDGAXXBAX-QWRGUYRKSA-N 0 0 249.741 4.345 10 0 BIAERN Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000020126184 179338549 /nfs/dbraw/zinc/33/85/49/179338549.db2.gz GMZATXHAQPGUCX-QWHCGFSZSA-N 0 0 245.391 4.468 10 0 BIAERN Oc1cccc(NCc2ccc3ccccc3c2)c1 ZINC000020192997 183293143 /nfs/dbraw/zinc/29/31/43/183293143.db2.gz NJUMTNBNMVOLHS-UHFFFAOYSA-N 0 0 249.313 4.158 10 0 BIAERN Oc1cccc(NCc2cccc3ccccc32)c1 ZINC000020193017 183293047 /nfs/dbraw/zinc/29/30/47/183293047.db2.gz HAADEGKTKKJDEE-UHFFFAOYSA-N 0 0 249.313 4.158 10 0 BIAERN Cc1ccc([C@@H](C)Nc2cccc(O)c2)c(C)c1 ZINC000020193735 178850879 /nfs/dbraw/zinc/85/08/79/178850879.db2.gz BVVFVCDXGNRHBI-CYBMUJFWSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1ccc([C@H](C)Nc2cccc(O)c2)c(C)c1 ZINC000020193738 178900617 /nfs/dbraw/zinc/90/06/17/178900617.db2.gz BVVFVCDXGNRHBI-ZDUSSCGKSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1ccc(C)c([C@@H](C)Nc2cccc(O)c2)c1 ZINC000020193747 178495492 /nfs/dbraw/zinc/49/54/92/178495492.db2.gz XLHQGLHWZFPJMP-CYBMUJFWSA-N 0 0 241.334 4.182 10 0 BIAERN CC[C@H](Nc1cccc(O)c1)c1ccc(C)cc1 ZINC000020193786 171552007 /nfs/dbraw/zinc/55/20/07/171552007.db2.gz RROLLLMGLITLRX-INIZCTEOSA-N 0 0 241.334 4.264 10 0 BIAERN C[C@H](Nc1cccc(O)c1)c1cccc(Cl)c1 ZINC000020193902 176935736 /nfs/dbraw/zinc/93/57/36/176935736.db2.gz IJABAMNHDPRNFC-JTQLQIEISA-N 0 0 247.725 4.219 10 0 BIAERN Cc1ccc([C@@H](C)Nc2cccc(O)c2)cc1C ZINC000020193984 178850782 /nfs/dbraw/zinc/85/07/82/178850782.db2.gz MURHAQPPXAJLQZ-CYBMUJFWSA-N 0 0 241.334 4.182 10 0 BIAERN Cc1cc([C@@H](C)Nc2cccc(O)c2)c(C)s1 ZINC000020194272 178233816 /nfs/dbraw/zinc/23/38/16/178233816.db2.gz LQMDGPZJCFWZJK-SNVBAGLBSA-N 0 0 247.363 4.244 10 0 BIAERN Cc1cc([C@H](C)Nc2cccc(O)c2)c(C)s1 ZINC000020194275 178259579 /nfs/dbraw/zinc/25/95/79/178259579.db2.gz LQMDGPZJCFWZJK-JTQLQIEISA-N 0 0 247.363 4.244 10 0 BIAERN Cc1cccc(NCc2ccc3ccccc3n2)c1 ZINC000020246165 179150860 /nfs/dbraw/zinc/15/08/60/179150860.db2.gz SFFSIAHBILTRQC-UHFFFAOYSA-N 0 0 248.329 4.155 10 0 BIAERN Cc1cc2cccc(C(C)C)c2nc1Cl ZINC000020271038 178297965 /nfs/dbraw/zinc/29/79/65/178297965.db2.gz APQMJACIUCTTHH-UHFFFAOYSA-N 0 0 219.715 4.320 10 0 BIAERN Cc1cc2cc(C(C)C)ccc2nc1Cl ZINC000020271040 178294423 /nfs/dbraw/zinc/29/44/23/178294423.db2.gz YJSNJHMSVIIXEP-UHFFFAOYSA-N 0 0 219.715 4.320 10 0 BIAERN Cc1cc2cc(C(C)(C)C)ccc2nc1Cl ZINC000020271042 178294960 /nfs/dbraw/zinc/29/49/60/178294960.db2.gz CTNSZOKHTXBLQX-UHFFFAOYSA-N 0 0 233.742 4.494 10 0 BIAERN Cc1cc2cc(Cl)cc(C)c2nc1Cl ZINC000020271044 178296456 /nfs/dbraw/zinc/29/64/56/178296456.db2.gz HDDACKRDNQOPQG-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN Cc1cc2ccc(Cl)c(C)c2nc1Cl ZINC000020271048 178296185 /nfs/dbraw/zinc/29/61/85/178296185.db2.gz IRUZMQBGFICXJN-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN Cc1cc2c(Cl)ccc(C)c2nc1Cl ZINC000020271052 178277832 /nfs/dbraw/zinc/27/78/32/178277832.db2.gz NYMIHGPHXWRAOV-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN Cc1cc2cc(C)c(Cl)nc2cc1Cl ZINC000020271054 178294331 /nfs/dbraw/zinc/29/43/31/178294331.db2.gz HNFBQFDHBLGEBC-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN Cc1cc2nc(Cl)c(C)cc2cc1Cl ZINC000020271057 178302870 /nfs/dbraw/zinc/30/28/70/178302870.db2.gz IVQXRJVDMXFZAF-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN CCCCCCNc1cccc(Cl)c1 ZINC000020359001 168670014 /nfs/dbraw/zinc/67/00/14/168670014.db2.gz IZOQUHGGCIGMGI-UHFFFAOYSA-N 0 0 211.736 4.332 10 0 BIAERN CCCCCCNc1cccc(SC)c1 ZINC000020359009 168670603 /nfs/dbraw/zinc/67/06/03/168670603.db2.gz PSDBMMUQDNHPNW-UHFFFAOYSA-N 0 0 223.385 4.401 10 0 BIAERN Cc1ccc(NCCC(C)C)c(Cl)c1 ZINC000020359190 188462341 /nfs/dbraw/zinc/46/23/41/188462341.db2.gz FUDLCDFXDYNHMG-UHFFFAOYSA-N 0 0 211.736 4.106 10 0 BIAERN Fc1cccc(F)c1NCCCc1ccccc1 ZINC000020359441 181001219 /nfs/dbraw/zinc/00/12/19/181001219.db2.gz OKIRGDZZXZHMAT-UHFFFAOYSA-N 0 0 247.288 4.010 10 0 BIAERN Cc1ccc(NCC2CCCCC2)c(F)c1 ZINC000020359956 187253939 /nfs/dbraw/zinc/25/39/39/187253939.db2.gz UVLZPNOUFZUHSG-UHFFFAOYSA-N 0 0 221.319 4.126 10 0 BIAERN Cc1ccc(CNc2cccc(Cl)c2F)cc1 ZINC000020361654 178639375 /nfs/dbraw/zinc/63/93/75/178639375.db2.gz BVQGWLOIEMLODB-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN CC(C)(C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000020362822 538931242 /nfs/dbraw/zinc/93/12/42/538931242.db2.gz CGVZAUJCKYUQTR-UHFFFAOYSA-N 0 0 236.698 4.315 10 0 BIAERN CCc1ccc(CNc2ccc(C)cc2F)cc1 ZINC000020372275 171812427 /nfs/dbraw/zinc/81/24/27/171812427.db2.gz VWIAVVIFHZEBCF-UHFFFAOYSA-N 0 0 243.325 4.309 10 0 BIAERN Nc1ccc(-c2cc(Cl)ccc2Cl)cc1 ZINC000020391480 181694150 /nfs/dbraw/zinc/69/41/50/181694150.db2.gz ZMDIVTMCXHXLPK-UHFFFAOYSA-N 0 0 238.117 4.243 10 0 BIAERN CC(C)c1ccc(-c2ccc(N)cc2)cc1 ZINC000020391597 167580136 /nfs/dbraw/zinc/58/01/36/167580136.db2.gz CZMUOQBVCQWEHG-UHFFFAOYSA-N 0 0 211.308 4.059 10 0 BIAERN CC(C)c1ccc(-c2cccc(O)c2)cc1 ZINC000020391607 167580908 /nfs/dbraw/zinc/58/09/08/167580908.db2.gz YMBWFFBPTREYOR-UHFFFAOYSA-N 0 0 212.292 4.183 10 0 BIAERN CCC[C@@H](C)CNc1ccc(F)c(Cl)c1 ZINC000020429683 169360998 /nfs/dbraw/zinc/36/09/98/169360998.db2.gz HYAJSDSCOZKUMG-SECBINFHSA-N 0 0 229.726 4.327 10 0 BIAERN CCC(CC)CNc1ccc(F)c(Cl)c1 ZINC000020429925 168364747 /nfs/dbraw/zinc/36/47/47/168364747.db2.gz GJOIKJLALPXKFG-UHFFFAOYSA-N 0 0 229.726 4.327 10 0 BIAERN Cc1cc([C@@H](C)Nc2ccccc2F)c(C)o1 ZINC000020438255 178234041 /nfs/dbraw/zinc/23/40/41/178234041.db2.gz AVZMSMJGOIYMRO-SNVBAGLBSA-N 0 0 233.286 4.209 10 0 BIAERN Cc1cc([C@H](C)Nc2ccccc2F)c(C)o1 ZINC000020438260 178259692 /nfs/dbraw/zinc/25/96/92/178259692.db2.gz AVZMSMJGOIYMRO-JTQLQIEISA-N 0 0 233.286 4.209 10 0 BIAERN Cc1cc([C@@H](C)Nc2ccccc2C)c(C)o1 ZINC000020438462 538932045 /nfs/dbraw/zinc/93/20/45/538932045.db2.gz JLWFNNHSGNQPPH-GFCCVEGCSA-N 0 0 229.323 4.378 10 0 BIAERN Cc1cc([C@H](C)Nc2ccccc2C)c(C)o1 ZINC000020438465 538931994 /nfs/dbraw/zinc/93/19/94/538931994.db2.gz JLWFNNHSGNQPPH-LBPRGKRZSA-N 0 0 229.323 4.378 10 0 BIAERN CCC[C@@H](C)CNc1ccc(C)cc1Cl ZINC000020471047 169360709 /nfs/dbraw/zinc/36/07/09/169360709.db2.gz CEQAFMWWWJBFHJ-LLVKDONJSA-N 0 0 225.763 4.497 10 0 BIAERN CCC[C@H](C)CNc1ccc(C)cc1Cl ZINC000020471048 169483305 /nfs/dbraw/zinc/48/33/05/169483305.db2.gz CEQAFMWWWJBFHJ-NSHDSACASA-N 0 0 225.763 4.497 10 0 BIAERN CCC(CC)CNc1ccc(C)cc1Cl ZINC000020471312 168364389 /nfs/dbraw/zinc/36/43/89/168364389.db2.gz BXWMTDDEQHMASS-UHFFFAOYSA-N 0 0 225.763 4.497 10 0 BIAERN CCC[C@@H](C)CNc1cccc(Cl)c1F ZINC000020472091 169361126 /nfs/dbraw/zinc/36/11/26/169361126.db2.gz WIKRGFZEMYQWBR-SECBINFHSA-N 0 0 229.726 4.327 10 0 BIAERN CCC(CC)CNc1cccc(Cl)c1F ZINC000020472422 168366710 /nfs/dbraw/zinc/36/67/10/168366710.db2.gz VSEUOLNZHDNVKO-UHFFFAOYSA-N 0 0 229.726 4.327 10 0 BIAERN CCC[C@@H](C)CNc1ccc(OC(C)C)cc1 ZINC000020472733 169360843 /nfs/dbraw/zinc/36/08/43/169360843.db2.gz QHBHOWUMZYCIRV-CYBMUJFWSA-N 0 0 235.371 4.322 10 0 BIAERN CC(C)Oc1ccc(NC2CCC(C)CC2)cc1 ZINC000020472980 168165757 /nfs/dbraw/zinc/16/57/57/168165757.db2.gz SDJIJCXTJRVMFN-UHFFFAOYSA-N 0 0 247.382 4.464 10 0 BIAERN Cc1ccc([C@@H](C)Nc2c(F)cccc2F)cc1 ZINC000020476257 178850653 /nfs/dbraw/zinc/85/06/53/178850653.db2.gz ZRZLOOUHRBNSKM-LLVKDONJSA-N 0 0 247.288 4.446 10 0 BIAERN Fc1cccc(F)c1NC1CCCCCCC1 ZINC000020476311 181000692 /nfs/dbraw/zinc/00/06/92/181000692.db2.gz BRPSJIJTOSSPFY-UHFFFAOYSA-N 0 0 239.309 4.490 10 0 BIAERN CCCC[C@H](CC)c1nc2ccc(N)cc2o1 ZINC000020482745 169001587 /nfs/dbraw/zinc/00/15/87/169001587.db2.gz JRVQSCNBCWOGHU-JTQLQIEISA-N 0 0 232.327 4.094 10 0 BIAERN CCCNc1c(Cl)cc(Cl)cc1Cl ZINC000020505060 169293461 /nfs/dbraw/zinc/29/34/61/169293461.db2.gz YZZATVXZBRGQNP-UHFFFAOYSA-N 0 0 238.545 4.469 10 0 BIAERN C[C@@H]1C[C@@H](OCc2cccc(N)c2)CC(C)(C)C1 ZINC000020507429 176382133 /nfs/dbraw/zinc/38/21/33/176382133.db2.gz CSBUIZFAMYWTJX-IUODEOHRSA-N 0 0 247.382 4.000 10 0 BIAERN C[C@H]1C[C@@H](OCc2cccc(N)c2)CC(C)(C)C1 ZINC000020507430 177338471 /nfs/dbraw/zinc/33/84/71/177338471.db2.gz CSBUIZFAMYWTJX-SWLSCSKDSA-N 0 0 247.382 4.000 10 0 BIAERN C[C@@H]1C[C@H](OCc2cccc(N)c2)CC(C)(C)C1 ZINC000020507431 176429699 /nfs/dbraw/zinc/42/96/99/176429699.db2.gz CSBUIZFAMYWTJX-DOMZBBRYSA-N 0 0 247.382 4.000 10 0 BIAERN C[C@H]1C[C@H](OCc2cccc(N)c2)CC(C)(C)C1 ZINC000020507432 177374392 /nfs/dbraw/zinc/37/43/92/177374392.db2.gz CSBUIZFAMYWTJX-WFASDCNBSA-N 0 0 247.382 4.000 10 0 BIAERN CCCC[C@@H](CC)COc1ccc(C=O)cc1 ZINC000020517174 168959493 /nfs/dbraw/zinc/95/94/93/168959493.db2.gz 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CCCCc1ccc(NCCC(C)C)cc1 ZINC000020546675 169021677 /nfs/dbraw/zinc/02/16/77/169021677.db2.gz YQACPRPSMLRKBX-UHFFFAOYSA-N 0 0 219.372 4.487 10 0 BIAERN CCc1ccc(N[C@@H](C)CC(C)C)cc1 ZINC000020549248 259399700 /nfs/dbraw/zinc/39/97/00/259399700.db2.gz BBAYNMJMRNFEOB-LBPRGKRZSA-N 0 0 205.345 4.096 10 0 BIAERN CCc1ccc(N[C@H](C)CC(C)C)cc1 ZINC000020549249 259399424 /nfs/dbraw/zinc/39/94/24/259399424.db2.gz BBAYNMJMRNFEOB-GFCCVEGCSA-N 0 0 205.345 4.096 10 0 BIAERN CCC(CC)CNc1cccc(Cl)c1 ZINC000020549546 168366158 /nfs/dbraw/zinc/36/61/58/168366158.db2.gz SAOUUMRZLHNLEE-UHFFFAOYSA-N 0 0 211.736 4.188 10 0 BIAERN CCC(CC)CNc1cc(Cl)ccc1C ZINC000020549990 168364082 /nfs/dbraw/zinc/36/40/82/168364082.db2.gz QFXGOHNOLWDSPD-UHFFFAOYSA-N 0 0 225.763 4.497 10 0 BIAERN CC(C)CNc1cc(Cl)cc(Cl)c1 ZINC000020550189 167014984 /nfs/dbraw/zinc/01/49/84/167014984.db2.gz MSSJYCCLXYPDNA-UHFFFAOYSA-N 0 0 218.127 4.061 10 0 BIAERN CCc1ccccc1NC1[C@H](C)CCC[C@@H]1C ZINC000020551151 171888405 /nfs/dbraw/zinc/88/84/05/171888405.db2.gz RGKKEHDDYIOLOJ-OCZCAGDBSA-N 0 0 231.383 4.486 10 0 BIAERN CCc1ccccc1NC1[C@H](C)CCC[C@H]1C ZINC000020551154 171888151 /nfs/dbraw/zinc/88/81/51/171888151.db2.gz RGKKEHDDYIOLOJ-CHWSQXEVSA-N 0 0 231.383 4.486 10 0 BIAERN CCc1ccccc1N[C@@H](C)CC(C)C ZINC000020552307 259399797 /nfs/dbraw/zinc/39/97/97/259399797.db2.gz JCFZVGUQYRIDDV-LBPRGKRZSA-N 0 0 205.345 4.096 10 0 BIAERN CCc1ccccc1N[C@H](C)CC(C)C ZINC000020552308 259399305 /nfs/dbraw/zinc/39/93/05/259399305.db2.gz JCFZVGUQYRIDDV-GFCCVEGCSA-N 0 0 205.345 4.096 10 0 BIAERN CCC(CC)CNc1ccc(C)cc1C ZINC000020552789 168364320 /nfs/dbraw/zinc/36/43/20/168364320.db2.gz NLPREUBJJYPDMO-UHFFFAOYSA-N 0 0 205.345 4.152 10 0 BIAERN CCC[C@@H](C)CNc1cccc(Cl)c1C ZINC000020553641 169360669 /nfs/dbraw/zinc/36/06/69/169360669.db2.gz CVAFWXYZXOKBBK-SNVBAGLBSA-N 0 0 225.763 4.497 10 0 BIAERN O=Cc1ccc(Oc2cccc3ccccc32)cc1 ZINC000020554380 182869746 /nfs/dbraw/zinc/86/97/46/182869746.db2.gz XJWPLZZRLKJFLX-UHFFFAOYSA-N 0 0 248.281 4.445 10 0 BIAERN Cc1ccc(NC[C@H](C)c2ccccc2)cc1 ZINC000020555308 178761354 /nfs/dbraw/zinc/76/13/54/178761354.db2.gz GFRYOBVBQIJNHO-AWEZNQCLSA-N 0 0 225.335 4.211 10 0 BIAERN Cc1ccc(NC[C@@H](C)c2ccccc2)cc1 ZINC000020555310 178759560 /nfs/dbraw/zinc/75/95/60/178759560.db2.gz GFRYOBVBQIJNHO-CQSZACIVSA-N 0 0 225.335 4.211 10 0 BIAERN CC[C@H](C[C@@H](C)CC)Nc1ccc(OC)cc1 ZINC000020556932 171296909 /nfs/dbraw/zinc/29/69/09/171296909.db2.gz FCLGADIKXPNKAK-QWHCGFSZSA-N 0 0 235.371 4.322 10 0 BIAERN CC[C@H](C)C[C@H](CC)Nc1ccc(OC)cc1 ZINC000020556936 171299673 /nfs/dbraw/zinc/29/96/73/171299673.db2.gz FCLGADIKXPNKAK-STQMWFEESA-N 0 0 235.371 4.322 10 0 BIAERN CC1CCC(Nc2ccc(F)c(F)c2F)CC1 ZINC000020557169 168165391 /nfs/dbraw/zinc/16/53/91/168165391.db2.gz VHBSDCSWAQPQHM-UHFFFAOYSA-N 0 0 243.272 4.095 10 0 BIAERN Cc1ccc(NCCCc2ccccc2)c(C)c1 ZINC000020557866 178757955 /nfs/dbraw/zinc/75/79/55/178757955.db2.gz VUYWOAQXGUANEQ-UHFFFAOYSA-N 0 0 239.362 4.348 10 0 BIAERN Fc1ccc(F)c(NC2CCCCCCC2)c1 ZINC000020558236 180974666 /nfs/dbraw/zinc/97/46/66/180974666.db2.gz JIISEPNVLKKZPK-UHFFFAOYSA-N 0 0 239.309 4.490 10 0 BIAERN CCc1ccc(CNc2ccc(F)cc2C)cc1 ZINC000020559048 171812920 /nfs/dbraw/zinc/81/29/20/171812920.db2.gz CBWOHKQBZCCAME-UHFFFAOYSA-N 0 0 243.325 4.309 10 0 BIAERN CCC[C@@H](C)CNc1cc(Cl)ccc1C ZINC000020560823 169360623 /nfs/dbraw/zinc/36/06/23/169360623.db2.gz WSKALQXZSHWJTN-SNVBAGLBSA-N 0 0 225.763 4.497 10 0 BIAERN Cc1cccc(N[C@H](C)CC(C)C)c1C ZINC000020563520 259399971 /nfs/dbraw/zinc/39/99/71/259399971.db2.gz DATPUTWCMAUMNU-GFCCVEGCSA-N 0 0 205.345 4.150 10 0 BIAERN Cc1cccc(N[C@@H](C)CC(C)C)c1C ZINC000020563522 385469477 /nfs/dbraw/zinc/46/94/77/385469477.db2.gz DATPUTWCMAUMNU-LBPRGKRZSA-N 0 0 205.345 4.150 10 0 BIAERN CC(C)Nc1ccc(Oc2ccccc2)cc1 ZINC000020564585 167146297 /nfs/dbraw/zinc/14/62/97/167146297.db2.gz MCTVSZDZNSJSND-UHFFFAOYSA-N 0 0 227.307 4.299 10 0 BIAERN CCC[C@@H](C)CNc1ccc(Cl)cc1C ZINC000020564818 169361167 /nfs/dbraw/zinc/36/11/67/169361167.db2.gz 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/nfs/dbraw/zinc/93/21/81/538932181.db2.gz RQCCLBOHJXFUNF-LBPRGKRZSA-N 0 0 237.730 4.132 10 0 BIAERN CC(C)(C)[C@H]([NH3+])c1cc2cc(Cl)ccc2o1 ZINC000020592865 538932610 /nfs/dbraw/zinc/93/26/10/538932610.db2.gz RQCCLBOHJXFUNF-GFCCVEGCSA-N 0 0 237.730 4.132 10 0 BIAERN CCC[C@@H](C)CNc1ccc(F)cc1Cl ZINC000020594733 169360788 /nfs/dbraw/zinc/36/07/88/169360788.db2.gz SYQZNFUVGBZXPI-SECBINFHSA-N 0 0 229.726 4.327 10 0 BIAERN CCC(CC)CNc1ccc(F)cc1Cl ZINC000020595182 168366708 /nfs/dbraw/zinc/36/67/08/168366708.db2.gz LWKDYMJRLUZXJA-UHFFFAOYSA-N 0 0 229.726 4.327 10 0 BIAERN Cc1ccc2[nH]c(-c3ccc(C)c(C)c3)nc2c1 ZINC000021001598 188176891 /nfs/dbraw/zinc/17/68/91/188176891.db2.gz DPSNRIIZATXLER-UHFFFAOYSA-N 0 0 236.318 4.155 10 0 BIAERN Fc1ccc(NCC2CCCCC2)c(F)c1F ZINC000021007952 180976212 /nfs/dbraw/zinc/97/62/12/180976212.db2.gz AQUGKONCMGIOML-UHFFFAOYSA-N 0 0 243.272 4.096 10 0 BIAERN CCCNc1cc(Cl)c(Cl)cc1Cl ZINC000021008901 169293394 /nfs/dbraw/zinc/29/33/94/169293394.db2.gz 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CCC[C@@H](C)CNc1cccc(CC)c1 ZINC000021010725 169360743 /nfs/dbraw/zinc/36/07/43/169360743.db2.gz UVSIFMYKXANMSY-GFCCVEGCSA-N 0 0 205.345 4.097 10 0 BIAERN CCC[C@@H](C)CNc1ccc(C)c(Cl)c1 ZINC000021011471 169360511 /nfs/dbraw/zinc/36/05/11/169360511.db2.gz FRLRXYCQHJOONX-SNVBAGLBSA-N 0 0 225.763 4.497 10 0 BIAERN CCOc1ccccc1NC1CCC(CC)CC1 ZINC000021011480 170594801 /nfs/dbraw/zinc/59/48/01/170594801.db2.gz PORNCWZIIDAKBU-UHFFFAOYSA-N 0 0 247.382 4.466 10 0 BIAERN CC(C)CCNc1cc(Cl)cc(Cl)c1 ZINC000021012499 166868185 /nfs/dbraw/zinc/86/81/85/166868185.db2.gz KPYKQMCJJHMVJD-UHFFFAOYSA-N 0 0 232.154 4.451 10 0 BIAERN Cc1ccc(C)c(N[C@H](C)CC(C)C)c1 ZINC000021012576 386205726 /nfs/dbraw/zinc/20/57/26/386205726.db2.gz REKIDUQYTWKVKV-CYBMUJFWSA-N 0 0 205.345 4.150 10 0 BIAERN Cc1ccc(C)c(N[C@@H](C)CC(C)C)c1 ZINC000021012577 386205839 /nfs/dbraw/zinc/20/58/39/386205839.db2.gz REKIDUQYTWKVKV-ZDUSSCGKSA-N 0 0 205.345 4.150 10 0 BIAERN CCC[C@@H](C)CNc1ccc(CC)cc1 ZINC000021013252 169360812 /nfs/dbraw/zinc/36/08/12/169360812.db2.gz ZGMZQUDZBJEUTP-GFCCVEGCSA-N 0 0 205.345 4.097 10 0 BIAERN CCC[C@H](C)CNc1ccc(CC)cc1 ZINC000021013253 169483264 /nfs/dbraw/zinc/48/32/64/169483264.db2.gz ZGMZQUDZBJEUTP-LBPRGKRZSA-N 0 0 205.345 4.097 10 0 BIAERN CCC[C@@H](C)CNc1cc(C)ccc1C ZINC000021013719 169360802 /nfs/dbraw/zinc/36/08/02/169360802.db2.gz KAAOJXKKKIYGHU-GFCCVEGCSA-N 0 0 205.345 4.152 10 0 BIAERN CC(C)CCNc1cccc(C(C)C)c1 ZINC000021018000 166867095 /nfs/dbraw/zinc/86/70/95/166867095.db2.gz XIEHVTJOQCHKLQ-UHFFFAOYSA-N 0 0 205.345 4.268 10 0 BIAERN C[C@@H]1CCC[C@@H](Nc2ccc3[nH]ccc3c2)C1 ZINC000021019136 176124646 /nfs/dbraw/zinc/12/46/46/176124646.db2.gz QHKTXFRMYZEVGZ-DGCLKSJQSA-N 0 0 228.339 4.159 10 0 BIAERN C[C@@H]1CCC[C@H](Nc2ccc3[nH]ccc3c2)C1 ZINC000021019142 176145324 /nfs/dbraw/zinc/14/53/24/176145324.db2.gz QHKTXFRMYZEVGZ-YPMHNXCESA-N 0 0 228.339 4.159 10 0 BIAERN C[C@H]1CCC[C@H](Nc2ccc3[nH]ccc3c2)C1 ZINC000021019146 177137886 /nfs/dbraw/zinc/13/78/86/177137886.db2.gz QHKTXFRMYZEVGZ-AAEUAGOBSA-N 0 0 228.339 4.159 10 0 BIAERN CCC(CC)CNc1ccccc1Cl ZINC000021022070 168365943 /nfs/dbraw/zinc/36/59/43/168365943.db2.gz JFJKXPIBVOVASP-UHFFFAOYSA-N 0 0 211.736 4.188 10 0 BIAERN CC(C)CNc1cc(Cl)ccc1Cl ZINC000021023366 167015105 /nfs/dbraw/zinc/01/51/05/167015105.db2.gz MMHMCUATEOBNSQ-UHFFFAOYSA-N 0 0 218.127 4.061 10 0 BIAERN CCC[C@@H](C)CNc1ccc(C)c(C)c1 ZINC000021032536 169360765 /nfs/dbraw/zinc/36/07/65/169360765.db2.gz KWAHYQPTEQQAPJ-LLVKDONJSA-N 0 0 205.345 4.152 10 0 BIAERN Cc1cc(F)ccc1NC[C@H](C)c1ccccc1 ZINC000021039264 178089978 /nfs/dbraw/zinc/08/99/78/178089978.db2.gz JRPMILFZEOJZKU-ZDUSSCGKSA-N 0 0 243.325 4.350 10 0 BIAERN Cc1cc(F)ccc1NC[C@@H](C)c1ccccc1 ZINC000021039271 178090196 /nfs/dbraw/zinc/09/01/96/178090196.db2.gz JRPMILFZEOJZKU-CYBMUJFWSA-N 0 0 243.325 4.350 10 0 BIAERN CCC(CC)CNc1cc(Cl)ccc1OC ZINC000021040277 168365173 /nfs/dbraw/zinc/36/51/73/168365173.db2.gz YUOFMWCPYXRBDA-UHFFFAOYSA-N 0 0 241.762 4.197 10 0 BIAERN CCC(CC)CNc1cccc(SC)c1 ZINC000021040982 168366137 /nfs/dbraw/zinc/36/61/37/168366137.db2.gz MBJNOHHVBPHMOA-UHFFFAOYSA-N 0 0 223.385 4.257 10 0 BIAERN CCC(CC)CNc1cccc(Cl)c1C ZINC000021041648 168366654 /nfs/dbraw/zinc/36/66/54/168366654.db2.gz TYNCRIXZWLZUMQ-UHFFFAOYSA-N 0 0 225.763 4.497 10 0 BIAERN CCCC(CCC)Nc1cc(C)ccc1OC ZINC000021048191 168583936 /nfs/dbraw/zinc/58/39/36/168583936.db2.gz CKXHVCAYFUAGEJ-UHFFFAOYSA-N 0 0 235.371 4.384 10 0 BIAERN CCC[C@@H](C)CNc1cccc2c1CCCC2 ZINC000021048414 169361144 /nfs/dbraw/zinc/36/11/44/169361144.db2.gz DZZZQMIXHWXSKZ-CYBMUJFWSA-N 0 0 231.383 4.414 10 0 BIAERN Cc1cccc(NC[C@H](C)c2ccccc2)c1 ZINC000021048450 179148917 /nfs/dbraw/zinc/14/89/17/179148917.db2.gz IARGLDLQWNCDQG-AWEZNQCLSA-N 0 0 225.335 4.211 10 0 BIAERN Cc1cccc(NC[C@@H](C)c2ccccc2)c1 ZINC000021048453 179147110 /nfs/dbraw/zinc/14/71/10/179147110.db2.gz IARGLDLQWNCDQG-CQSZACIVSA-N 0 0 225.335 4.211 10 0 BIAERN CC[C@H](C)Nc1ccc(C(C)(C)C)cc1 ZINC000021049490 171349875 /nfs/dbraw/zinc/34/98/75/171349875.db2.gz VJAABRFQYRCZNI-NSHDSACASA-N 0 0 205.345 4.195 10 0 BIAERN Cc1cc(C)cc(N[C@H](C)CC(C)C)c1 ZINC000021051128 323097937 /nfs/dbraw/zinc/09/79/37/323097937.db2.gz QVAOHQBJGQAYKH-CYBMUJFWSA-N 0 0 205.345 4.150 10 0 BIAERN Cc1cc(C)cc(N[C@@H](C)CC(C)C)c1 ZINC000021051135 323097936 /nfs/dbraw/zinc/09/79/36/323097936.db2.gz QVAOHQBJGQAYKH-ZDUSSCGKSA-N 0 0 205.345 4.150 10 0 BIAERN CCC(CC)CNc1cccc2cccnc21 ZINC000021055727 168366045 /nfs/dbraw/zinc/36/60/45/168366045.db2.gz DSZZJSHASIEVOO-UHFFFAOYSA-N 0 0 228.339 4.083 10 0 BIAERN CCC(CC)CNc1cc(C)ccc1C ZINC000021057800 168364901 /nfs/dbraw/zinc/36/49/01/168364901.db2.gz IRMUOJADKHZMEH-UHFFFAOYSA-N 0 0 205.345 4.152 10 0 BIAERN CCCCNc1ccc(Cl)cc1Cl ZINC000021059964 168879507 /nfs/dbraw/zinc/87/95/07/168879507.db2.gz KBJLUBYSRLTYID-UHFFFAOYSA-N 0 0 218.127 4.205 10 0 BIAERN CCCCNc1cc(Cl)ccc1Cl ZINC000021060390 168877532 /nfs/dbraw/zinc/87/75/32/168877532.db2.gz WDHCGODRQGXGAY-UHFFFAOYSA-N 0 0 218.127 4.205 10 0 BIAERN Cc1ccc(N[C@H](C)CC(C)C)c(C)c1 ZINC000021060567 386229755 /nfs/dbraw/zinc/22/97/55/386229755.db2.gz HQYBMGJVEGYLTG-CYBMUJFWSA-N 0 0 205.345 4.150 10 0 BIAERN Cc1ccc(N[C@@H](C)CC(C)C)c(C)c1 ZINC000021060571 262744513 /nfs/dbraw/zinc/74/45/13/262744513.db2.gz HQYBMGJVEGYLTG-ZDUSSCGKSA-N 0 0 205.345 4.150 10 0 BIAERN CC(C)c1ccc([C@@H](C)NCC(F)(F)F)cc1 ZINC000021062424 350393899 /nfs/dbraw/zinc/39/38/99/350393899.db2.gz MYFKBNMDTKRHNO-SNVBAGLBSA-N 0 0 245.288 4.023 10 0 BIAERN CC(C)c1ccc([C@H](C)NCC(F)(F)F)cc1 ZINC000021062428 350393496 /nfs/dbraw/zinc/39/34/96/350393496.db2.gz MYFKBNMDTKRHNO-JTQLQIEISA-N 0 0 245.288 4.023 10 0 BIAERN CCC1CCC(Nc2cc(C)ccc2OC)CC1 ZINC000021500177 168523383 /nfs/dbraw/zinc/52/33/83/168523383.db2.gz IFBDLXQDMUHCKG-UHFFFAOYSA-N 0 0 247.382 4.384 10 0 BIAERN CCc1ccccc1NC[C@H](C)c1ccccc1 ZINC000021500238 171888382 /nfs/dbraw/zinc/88/83/82/171888382.db2.gz BLBYPNKQLOUDIY-AWEZNQCLSA-N 0 0 239.362 4.465 10 0 BIAERN CC[C@@H](C)CNc1ccccc1OC(F)(F)F ZINC000021500294 170710209 /nfs/dbraw/zinc/71/02/09/170710209.db2.gz CJHNCHPFDYHKIH-SECBINFHSA-N 0 0 247.260 4.043 10 0 BIAERN CC[C@H](C)CNc1ccccc1OC(F)(F)F ZINC000021500296 171289109 /nfs/dbraw/zinc/28/91/09/171289109.db2.gz CJHNCHPFDYHKIH-VIFPVBQESA-N 0 0 247.260 4.043 10 0 BIAERN CCC[C@@H](C)CNc1ccc(Cl)cc1 ZINC000021500857 169361174 /nfs/dbraw/zinc/36/11/74/169361174.db2.gz WELVTDNUCHPMAJ-SNVBAGLBSA-N 0 0 211.736 4.188 10 0 BIAERN CCc1ccccc1NCC1CCCCC1 ZINC000021501897 171887834 /nfs/dbraw/zinc/88/78/34/171887834.db2.gz IHHLTUCYEDSVCV-UHFFFAOYSA-N 0 0 217.356 4.241 10 0 BIAERN CCOc1ccc(N[C@H]2CCC[C@H](C)C2)cc1 ZINC000021503555 170554448 /nfs/dbraw/zinc/55/44/48/170554448.db2.gz ZNYFTENBTASTDO-JSGCOSHPSA-N 0 0 233.355 4.076 10 0 BIAERN CC(C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000021506283 167145311 /nfs/dbraw/zinc/14/53/11/167145311.db2.gz NXVBIOBYKRREMG-UHFFFAOYSA-N 0 0 238.545 4.467 10 0 BIAERN CCC[C@@H](C)CNc1cc(Cl)ccc1OC ZINC000021507730 169361142 /nfs/dbraw/zinc/36/11/42/169361142.db2.gz RXMNDAGZVCFBGB-SNVBAGLBSA-N 0 0 241.762 4.197 10 0 BIAERN CCCNc1ccc(Cl)cc1C(F)(F)F ZINC000021508441 169294890 /nfs/dbraw/zinc/29/48/90/169294890.db2.gz USJNMSOPVDMOQS-UHFFFAOYSA-N 0 0 237.652 4.181 10 0 BIAERN FC(F)(F)c1ccc(NC2CCCCC2)cc1 ZINC000021509390 180893630 /nfs/dbraw/zinc/89/36/30/180893630.db2.gz SUKMDCITHRQTAQ-UHFFFAOYSA-N 0 0 243.272 4.450 10 0 BIAERN CC1CCC(Nc2ccc3ccccc3n2)CC1 ZINC000021509978 168165984 /nfs/dbraw/zinc/16/59/84/168165984.db2.gz BKZKBMOTPAQNDC-UHFFFAOYSA-N 0 0 240.350 4.225 10 0 BIAERN CC(C)CNc1cccc(Cl)c1Cl ZINC000021510249 167017037 /nfs/dbraw/zinc/01/70/37/167017037.db2.gz STGQUBTYSFENDU-UHFFFAOYSA-N 0 0 218.127 4.061 10 0 BIAERN CCc1ccc(CNc2ccc(F)cc2F)cc1 ZINC000021510474 171812797 /nfs/dbraw/zinc/81/27/97/171812797.db2.gz IVLVUFNKMZEADC-UHFFFAOYSA-N 0 0 247.288 4.139 10 0 BIAERN C[C@@H]1C[C@@H](Nc2ccccc2F)CC(C)(C)C1 ZINC000021510503 176380645 /nfs/dbraw/zinc/38/06/45/176380645.db2.gz QJHUWGQSMLWBCE-VXGBXAGGSA-N 0 0 235.346 4.452 10 0 BIAERN C[C@H]1C[C@@H](Nc2ccccc2F)CC(C)(C)C1 ZINC000021510505 177335051 /nfs/dbraw/zinc/33/50/51/177335051.db2.gz QJHUWGQSMLWBCE-NWDGAFQWSA-N 0 0 235.346 4.452 10 0 BIAERN C[C@H]1C[C@H](Nc2ccccc2F)CC(C)(C)C1 ZINC000021510508 177372372 /nfs/dbraw/zinc/37/23/72/177372372.db2.gz QJHUWGQSMLWBCE-RYUDHWBXSA-N 0 0 235.346 4.452 10 0 BIAERN CCC[C@@H](C)CNc1cccc(Cl)c1 ZINC000021511057 169361116 /nfs/dbraw/zinc/36/11/16/169361116.db2.gz ZSDSTILYYIEMFR-SNVBAGLBSA-N 0 0 211.736 4.188 10 0 BIAERN CCC(CC)CNc1ccccc1OC(F)F ZINC000021512764 168366725 /nfs/dbraw/zinc/36/67/25/168366725.db2.gz DCSLKCYFOUXKSK-UHFFFAOYSA-N 0 0 243.297 4.136 10 0 BIAERN Cc1ccc(CNc2cc(C)ccc2C)cc1 ZINC000021513371 347531180 /nfs/dbraw/zinc/53/11/80/347531180.db2.gz BCYQUBREUCSJRZ-UHFFFAOYSA-N 0 0 225.335 4.224 10 0 BIAERN Cc1ccc(CNc2cccc(Cl)c2)cc1 ZINC000021513399 178639752 /nfs/dbraw/zinc/63/97/52/178639752.db2.gz PGCXOSPNBHDWRG-UHFFFAOYSA-N 0 0 231.726 4.261 10 0 BIAERN C[C@H](CNc1cc(F)cc(F)c1)c1ccccc1 ZINC000021514064 176686761 /nfs/dbraw/zinc/68/67/61/176686761.db2.gz QANGWOSMEHJWRP-LLVKDONJSA-N 0 0 247.288 4.180 10 0 BIAERN Cc1cc(F)ccc1NCC1CCCCC1 ZINC000021514140 178090041 /nfs/dbraw/zinc/09/00/41/178090041.db2.gz POMGGVZXEDIYJR-UHFFFAOYSA-N 0 0 221.319 4.126 10 0 BIAERN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1ccccc1N ZINC000021514661 323090770 /nfs/dbraw/zinc/09/07/70/323090770.db2.gz YNKKSOQQDDYXHH-WWGRRREGSA-N 0 0 247.382 4.108 10 0 BIAERN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Oc1ccccc1N ZINC000021514665 323090787 /nfs/dbraw/zinc/09/07/87/323090787.db2.gz YNKKSOQQDDYXHH-IOASZLSFSA-N 0 0 247.382 4.108 10 0 BIAERN CC1CCC(Nc2cccc3ncccc32)CC1 ZINC000021515732 168165992 /nfs/dbraw/zinc/16/59/92/168165992.db2.gz RZOYXGLKHZLLGP-UHFFFAOYSA-N 0 0 240.350 4.225 10 0 BIAERN CCOc1ccccc1N[C@H](C)CCC(C)C ZINC000021515998 170596069 /nfs/dbraw/zinc/59/60/69/170596069.db2.gz WSXJUGKRYXIHII-CYBMUJFWSA-N 0 0 235.371 4.322 10 0 BIAERN Cc1c(Cl)cccc1NCCc1ccccc1 ZINC000021517377 177601912 /nfs/dbraw/zinc/60/19/12/177601912.db2.gz ZZTFSWMKAMJOLP-UHFFFAOYSA-N 0 0 245.753 4.303 10 0 BIAERN CCC[C@@H](C)CNc1ccc(SC)cc1 ZINC000021517527 169361013 /nfs/dbraw/zinc/36/10/13/169361013.db2.gz DGNHHRSPFMBWPW-LLVKDONJSA-N 0 0 223.385 4.257 10 0 BIAERN Fc1ccc(NCCCc2ccccc2)cc1F ZINC000021518106 180977898 /nfs/dbraw/zinc/97/78/98/180977898.db2.gz GSHGXRJASJVQHB-UHFFFAOYSA-N 0 0 247.288 4.010 10 0 BIAERN CCC(CC)CNc1ccc(Cl)cc1C ZINC000021518174 168365099 /nfs/dbraw/zinc/36/50/99/168365099.db2.gz SXWZOTHRARCRGL-UHFFFAOYSA-N 0 0 225.763 4.497 10 0 BIAERN CC(C)[C@@H](C)Nc1ccccc1OC(F)(F)F ZINC000021518871 167387850 /nfs/dbraw/zinc/38/78/50/167387850.db2.gz NGWUFXBMWVOLSQ-SECBINFHSA-N 0 0 247.260 4.042 10 0 BIAERN C[C@@H]1CCC[C@@H](Nc2ccc(F)c(F)c2F)C1 ZINC000021518990 176124087 /nfs/dbraw/zinc/12/40/87/176124087.db2.gz WIIUPWOYIIUUTH-RKDXNWHRSA-N 0 0 243.272 4.095 10 0 BIAERN C[C@H]1CCC[C@@H](Nc2ccc(F)c(F)c2F)C1 ZINC000021518991 188464008 /nfs/dbraw/zinc/46/40/08/188464008.db2.gz WIIUPWOYIIUUTH-DTWKUNHWSA-N 0 0 243.272 4.095 10 0 BIAERN C[C@@H]1CCC[C@H](Nc2ccc(F)c(F)c2F)C1 ZINC000021518992 176145403 /nfs/dbraw/zinc/14/54/03/176145403.db2.gz WIIUPWOYIIUUTH-BDAKNGLRSA-N 0 0 243.272 4.095 10 0 BIAERN C[C@H]1CCC[C@H](Nc2ccc(F)c(F)c2F)C1 ZINC000021518993 177137829 /nfs/dbraw/zinc/13/78/29/177137829.db2.gz WIIUPWOYIIUUTH-IUCAKERBSA-N 0 0 243.272 4.095 10 0 BIAERN CC[C@H](C)Nc1cc(Cl)cc(Cl)c1 ZINC000021519297 171349903 /nfs/dbraw/zinc/34/99/03/171349903.db2.gz MVWQNSBDMGGWGX-ZETCQYMHSA-N 0 0 218.127 4.204 10 0 BIAERN COc1ccc(N[C@@H](C)CC(C)C)cc1Cl ZINC000021520069 643320428 /nfs/dbraw/zinc/32/04/28/643320428.db2.gz DYLVFUBHVHZWKI-JTQLQIEISA-N 0 0 241.762 4.195 10 0 BIAERN COc1ccc(N[C@H](C)CC(C)C)cc1Cl ZINC000021520070 643173216 /nfs/dbraw/zinc/17/32/16/643173216.db2.gz DYLVFUBHVHZWKI-SNVBAGLBSA-N 0 0 241.762 4.195 10 0 BIAERN CCC[C@@H](C)Nc1cccc(OC(F)(F)F)c1 ZINC000021520157 169372557 /nfs/dbraw/zinc/37/25/57/169372557.db2.gz KMRIIHBBYCDKEJ-SECBINFHSA-N 0 0 247.260 4.186 10 0 BIAERN C[C@@H]1CCC[C@@H](Nc2cccc3ncccc32)C1 ZINC000021520184 176124608 /nfs/dbraw/zinc/12/46/08/176124608.db2.gz UDPZJDWUICZFFS-CHWSQXEVSA-N 0 0 240.350 4.225 10 0 BIAERN C[C@H]1CCC[C@@H](Nc2cccc3ncccc32)C1 ZINC000021520185 187254398 /nfs/dbraw/zinc/25/43/98/187254398.db2.gz UDPZJDWUICZFFS-QWHCGFSZSA-N 0 0 240.350 4.225 10 0 BIAERN C[C@@H]1CCC[C@H](Nc2cccc3ncccc32)C1 ZINC000021520186 176145297 /nfs/dbraw/zinc/14/52/97/176145297.db2.gz UDPZJDWUICZFFS-OLZOCXBDSA-N 0 0 240.350 4.225 10 0 BIAERN C[C@H]1CCC[C@H](Nc2cccc3ncccc32)C1 ZINC000021520187 177137969 /nfs/dbraw/zinc/13/79/69/177137969.db2.gz UDPZJDWUICZFFS-STQMWFEESA-N 0 0 240.350 4.225 10 0 BIAERN CCC[C@@H](C)CNc1cccc(C)c1C ZINC000021520264 169360833 /nfs/dbraw/zinc/36/08/33/169360833.db2.gz UBJLMLZRBXSUHB-LLVKDONJSA-N 0 0 205.345 4.152 10 0 BIAERN CCC(CC)CNc1ccc(C)c(Cl)c1 ZINC000021520330 168365014 /nfs/dbraw/zinc/36/50/14/168365014.db2.gz DAFFSJWIVDTTDS-UHFFFAOYSA-N 0 0 225.763 4.497 10 0 BIAERN CCC[C@@H](C)CNc1ccc(OC)c(Cl)c1 ZINC000021520719 169360515 /nfs/dbraw/zinc/36/05/15/169360515.db2.gz ANDRWRBEHLNZLK-SNVBAGLBSA-N 0 0 241.762 4.197 10 0 BIAERN CCC[C@@H](C)CNc1ccccc1CC ZINC000021787052 169361566 /nfs/dbraw/zinc/36/15/66/169361566.db2.gz NEZAXNVDHRCKDU-GFCCVEGCSA-N 0 0 205.345 4.097 10 0 BIAERN CCCCNc1ccc(CCCC)cc1 ZINC000021787643 168879333 /nfs/dbraw/zinc/87/93/33/168879333.db2.gz PIEKAOJPGHYSLM-UHFFFAOYSA-N 0 0 205.345 4.241 10 0 BIAERN CCCNc1cc(C(F)(F)F)ccc1Cl ZINC000021789914 169294046 /nfs/dbraw/zinc/29/40/46/169294046.db2.gz XHEAHOVMOQPGOZ-UHFFFAOYSA-N 0 0 237.652 4.181 10 0 BIAERN CCC(CC)Nc1cccc(OC(F)(F)F)c1 ZINC000021791684 168393651 /nfs/dbraw/zinc/39/36/51/168393651.db2.gz KIALTJNSNKIFKC-UHFFFAOYSA-N 0 0 247.260 4.186 10 0 BIAERN CCC(CC)CNc1cccc(C)c1C ZINC000021792372 168366506 /nfs/dbraw/zinc/36/65/06/168366506.db2.gz HINZLJXJCCPWTJ-UHFFFAOYSA-N 0 0 205.345 4.152 10 0 BIAERN c1cnc2cccc(NCC3CCCCC3)c2c1 ZINC000021793056 183357844 /nfs/dbraw/zinc/35/78/44/183357844.db2.gz RVRSLFYCVLOVPF-UHFFFAOYSA-N 0 0 240.350 4.227 10 0 BIAERN CCC[C@@H](C)CNc1cccc2cccnc21 ZINC000021795080 169361602 /nfs/dbraw/zinc/36/16/02/169361602.db2.gz BVKXTLHTTRODIR-GFCCVEGCSA-N 0 0 228.339 4.083 10 0 BIAERN CCC[C@H](C)CNc1cccc2cccnc21 ZINC000021795083 169484123 /nfs/dbraw/zinc/48/41/23/169484123.db2.gz BVKXTLHTTRODIR-LBPRGKRZSA-N 0 0 228.339 4.083 10 0 BIAERN CC(C)[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 ZINC000021795180 167385418 /nfs/dbraw/zinc/38/54/18/167385418.db2.gz LWRUMZQIGSVXTM-SECBINFHSA-N 0 0 247.260 4.042 10 0 BIAERN CCC[C@@H](C)CNc1ccc(OC(F)F)cc1 ZINC000021797457 169361183 /nfs/dbraw/zinc/36/11/83/169361183.db2.gz HGWZZIPEBSBHQZ-SNVBAGLBSA-N 0 0 243.297 4.136 10 0 BIAERN C[C@@H]1CCCC[C@@H]1Nc1cccc2cccnc21 ZINC000021798267 176081969 /nfs/dbraw/zinc/08/19/69/176081969.db2.gz NGNAACFOIBDDCK-OCCSQVGLSA-N 0 0 240.350 4.225 10 0 BIAERN C[C@H]1CCCC[C@@H]1Nc1cccc2cccnc21 ZINC000021798271 177083550 /nfs/dbraw/zinc/08/35/50/177083550.db2.gz NGNAACFOIBDDCK-JSGCOSHPSA-N 0 0 240.350 4.225 10 0 BIAERN C[C@@H]1CCCC[C@H]1Nc1cccc2cccnc21 ZINC000021798275 176089764 /nfs/dbraw/zinc/08/97/64/176089764.db2.gz NGNAACFOIBDDCK-TZMCWYRMSA-N 0 0 240.350 4.225 10 0 BIAERN C[C@H]1CCCC[C@H]1Nc1cccc2cccnc21 ZINC000021798279 177089804 /nfs/dbraw/zinc/08/98/04/177089804.db2.gz NGNAACFOIBDDCK-GXTWGEPZSA-N 0 0 240.350 4.225 10 0 BIAERN CCC(=O)c1ccccc1OCC1CCCCC1 ZINC000021798916 168259440 /nfs/dbraw/zinc/25/94/40/168259440.db2.gz HUXNCJGINMRJTA-UHFFFAOYSA-N 0 0 246.350 4.238 10 0 BIAERN Cc1ccccc1NCCCc1ccccc1 ZINC000021800314 179304515 /nfs/dbraw/zinc/30/45/15/179304515.db2.gz LDUFQMDARICXBZ-UHFFFAOYSA-N 0 0 225.335 4.040 10 0 BIAERN CCCC1CCC(Nc2cccc(O)c2)CC1 ZINC000021802431 168605985 /nfs/dbraw/zinc/60/59/85/168605985.db2.gz SHDDYTQZKCEDEG-UHFFFAOYSA-N 0 0 233.355 4.163 10 0 BIAERN C[C@@H]1CCC[C@@H](C)C1Nc1ccc2[nH]ccc2c1 ZINC000021803154 176114504 /nfs/dbraw/zinc/11/45/04/176114504.db2.gz JFZZKOWYKOIQOH-VXGBXAGGSA-N 0 0 242.366 4.405 10 0 BIAERN C[C@@H]1CCC[C@H](C)C1Nc1ccc2[nH]ccc2c1 ZINC000021803156 177113402 /nfs/dbraw/zinc/11/34/02/177113402.db2.gz JFZZKOWYKOIQOH-HBBFGDNQSA-N 0 0 242.366 4.405 10 0 BIAERN C[C@H]1CCC[C@H](C)C1Nc1ccc2[nH]ccc2c1 ZINC000021803159 177130528 /nfs/dbraw/zinc/13/05/28/177130528.db2.gz JFZZKOWYKOIQOH-RYUDHWBXSA-N 0 0 242.366 4.405 10 0 BIAERN COc1ccc(C)cc1NC1[C@@H](C)CCC[C@@H]1C ZINC000021803968 175078413 /nfs/dbraw/zinc/07/84/13/175078413.db2.gz DUGDNPDKPSTSNW-STQMWFEESA-N 0 0 247.382 4.240 10 0 BIAERN COc1ccc(C)cc1NC1[C@H](C)CCC[C@@H]1C ZINC000021803971 175078505 /nfs/dbraw/zinc/07/85/05/175078505.db2.gz DUGDNPDKPSTSNW-OCZCAGDBSA-N 0 0 247.382 4.240 10 0 BIAERN COc1ccc(C)cc1NC1[C@H](C)CCC[C@H]1C ZINC000021803974 175078618 /nfs/dbraw/zinc/07/86/18/175078618.db2.gz DUGDNPDKPSTSNW-CHWSQXEVSA-N 0 0 247.382 4.240 10 0 BIAERN Cc1cccc(NCCCc2ccccc2)c1 ZINC000021804240 179143724 /nfs/dbraw/zinc/14/37/24/179143724.db2.gz WPCFKDGXKHAVSI-UHFFFAOYSA-N 0 0 225.335 4.040 10 0 BIAERN Cc1ccc(NC[C@H](C)c2ccccc2)cc1F ZINC000021804368 178761021 /nfs/dbraw/zinc/76/10/21/178761021.db2.gz PXXVYRRKLVBRRZ-ZDUSSCGKSA-N 0 0 243.325 4.350 10 0 BIAERN CCC(CC)CNc1cccc2ncccc21 ZINC000021805454 168366259 /nfs/dbraw/zinc/36/62/59/168366259.db2.gz XWEQXPNTDGXFNE-UHFFFAOYSA-N 0 0 228.339 4.083 10 0 BIAERN CCC(CC)CNc1ccc(C)c(C)c1 ZINC000021807647 168364091 /nfs/dbraw/zinc/36/40/91/168364091.db2.gz CDSIDJHDRFYWMN-UHFFFAOYSA-N 0 0 205.345 4.152 10 0 BIAERN CC(C)c1cccc(Oc2ccc(C=O)cc2)c1 ZINC000021807777 167636874 /nfs/dbraw/zinc/63/68/74/167636874.db2.gz SRFGNWQPZVITAZ-UHFFFAOYSA-N 0 0 240.302 4.415 10 0 BIAERN CCC[C@@H](C)CNc1cc(C)cc(C)c1 ZINC000021809834 169360860 /nfs/dbraw/zinc/36/08/60/169360860.db2.gz NLNVDHCWBXNMPK-LLVKDONJSA-N 0 0 205.345 4.152 10 0 BIAERN CCc1ccc(CNc2ccc(C)c(F)c2)cc1 ZINC000021810527 171812861 /nfs/dbraw/zinc/81/28/61/171812861.db2.gz FDMJKSCBUMYPIO-UHFFFAOYSA-N 0 0 243.325 4.309 10 0 BIAERN CC[C@H](C)CNc1ccc(OC(F)(F)F)cc1 ZINC000021812027 171288189 /nfs/dbraw/zinc/28/81/89/171288189.db2.gz KZWZYDBYKBOXHE-VIFPVBQESA-N 0 0 247.260 4.043 10 0 BIAERN Cc1ccc(N[C@H](C)CC(C)C)cc1C ZINC000021812395 385715505 /nfs/dbraw/zinc/71/55/05/385715505.db2.gz AWOAOYLNKXOKMD-CYBMUJFWSA-N 0 0 205.345 4.150 10 0 BIAERN Cc1ccc(N[C@@H](C)CC(C)C)cc1C ZINC000021812396 259424035 /nfs/dbraw/zinc/42/40/35/259424035.db2.gz AWOAOYLNKXOKMD-ZDUSSCGKSA-N 0 0 205.345 4.150 10 0 BIAERN CC1CCC(Nc2cccc3cccnc32)CC1 ZINC000021812452 168165709 /nfs/dbraw/zinc/16/57/09/168165709.db2.gz CUILMRDXNFWEFV-UHFFFAOYSA-N 0 0 240.350 4.225 10 0 BIAERN CC[C@H](C)Nc1ccccc1Cc1ccccc1 ZINC000021812554 171350754 /nfs/dbraw/zinc/35/07/54/171350754.db2.gz GXSUTDIZIFIYCR-AWEZNQCLSA-N 0 0 239.362 4.488 10 0 BIAERN COc1ccccc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021812588 175338528 /nfs/dbraw/zinc/33/85/28/175338528.db2.gz ONBGEIBWSLSOKB-CHWSQXEVSA-N 0 0 247.382 4.322 10 0 BIAERN COc1ccccc1N[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000021812589 175339911 /nfs/dbraw/zinc/33/99/11/175339911.db2.gz ONBGEIBWSLSOKB-OLZOCXBDSA-N 0 0 247.382 4.322 10 0 BIAERN COc1ccccc1N[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000021812590 175339057 /nfs/dbraw/zinc/33/90/57/175339057.db2.gz ONBGEIBWSLSOKB-QWHCGFSZSA-N 0 0 247.382 4.322 10 0 BIAERN COc1ccccc1N[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000021812591 175339490 /nfs/dbraw/zinc/33/94/90/175339490.db2.gz ONBGEIBWSLSOKB-STQMWFEESA-N 0 0 247.382 4.322 10 0 BIAERN CCCCCNc1ccccc1OC(F)(F)F ZINC000021812614 168723181 /nfs/dbraw/zinc/72/31/81/168723181.db2.gz ZSGQNMINBZRWCK-UHFFFAOYSA-N 0 0 247.260 4.187 10 0 BIAERN CC[C@@H](C)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000021813473 170759602 /nfs/dbraw/zinc/75/96/02/170759602.db2.gz OKPHNSXHHUBWGN-GFCCVEGCSA-N 0 0 237.346 4.468 10 0 BIAERN CC[C@H](C)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000021813474 171349416 /nfs/dbraw/zinc/34/94/16/171349416.db2.gz OKPHNSXHHUBWGN-LBPRGKRZSA-N 0 0 237.346 4.468 10 0 BIAERN CCC[C@@H](C)CNc1cccc(SC)c1 ZINC000021814983 169361143 /nfs/dbraw/zinc/36/11/43/169361143.db2.gz OGVNMPFRKOUSLX-LLVKDONJSA-N 0 0 223.385 4.257 10 0 BIAERN CCC[C@@H](C)CNc1ccccc1OC(F)F ZINC000021815254 169361368 /nfs/dbraw/zinc/36/13/68/169361368.db2.gz KSPUUZLMKSLASE-SNVBAGLBSA-N 0 0 243.297 4.136 10 0 BIAERN CCC[C@H](C)CNc1ccccc1OC(F)F ZINC000021815256 169483774 /nfs/dbraw/zinc/48/37/74/169483774.db2.gz KSPUUZLMKSLASE-JTQLQIEISA-N 0 0 243.297 4.136 10 0 BIAERN Clc1cccc(NCC2CCCCC2)c1 ZINC000021815590 180591339 /nfs/dbraw/zinc/59/13/39/180591339.db2.gz OTNNCUUEZHTKJP-UHFFFAOYSA-N 0 0 223.747 4.332 10 0 BIAERN Cc1cc(C)cc(Oc2ccc(C=O)cc2F)c1 ZINC000021815831 177913754 /nfs/dbraw/zinc/91/37/54/177913754.db2.gz STQVWNKOOXBPKP-UHFFFAOYSA-N 0 0 244.265 4.047 10 0 BIAERN CC(C)C[C@@H](C)Nc1cccc(Cl)c1 ZINC000021818502 385722141 /nfs/dbraw/zinc/72/21/41/385722141.db2.gz MYEFEABABWEIEI-SNVBAGLBSA-N 0 0 211.736 4.187 10 0 BIAERN CC(C)C[C@H](C)Nc1cccc(Cl)c1 ZINC000021818504 385721244 /nfs/dbraw/zinc/72/12/44/385721244.db2.gz MYEFEABABWEIEI-JTQLQIEISA-N 0 0 211.736 4.187 10 0 BIAERN Nc1c(Cl)cc(-c2cccs2)cc1Cl ZINC000021950782 343824123 /nfs/dbraw/zinc/82/41/23/343824123.db2.gz IFCMOICCCPPNOS-UHFFFAOYSA-N 0 0 244.146 4.304 10 0 BIAERN CCC(=O)c1cccc(-c2cccs2)c1 ZINC000021951022 168257241 /nfs/dbraw/zinc/25/72/41/168257241.db2.gz YKEJLSGUOWNLAU-UHFFFAOYSA-N 0 0 216.305 4.008 10 0 BIAERN CCCCC[C@@H]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000021981598 168741511 /nfs/dbraw/zinc/74/15/11/168741511.db2.gz NOTJDQWKBGNRMN-TUVASFSCSA-N 0 0 224.388 4.144 10 0 BIAERN c1nn(-c2cccc3ccccc32)c2ccccc12 ZINC000021988152 383853126 /nfs/dbraw/zinc/85/31/26/383853126.db2.gz OZHRVMCMZIGALE-UHFFFAOYSA-N 0 0 244.297 4.179 10 0 BIAERN CCCC(=O)C(c1ccccc1)c1ccccc1 ZINC000021991028 384717118 /nfs/dbraw/zinc/71/71/18/384717118.db2.gz IERSZKXOIWQGDR-UHFFFAOYSA-N 0 0 238.330 4.188 10 0 BIAERN CC1(C)CC[C@H](C/C=C/c2ccccc2)O1 ZINC000021991401 167939748 /nfs/dbraw/zinc/93/97/48/167939748.db2.gz STWHZCQABQOCAH-MRZGDXHCSA-N 0 0 216.324 4.048 10 0 BIAERN Cc1ccnc(-c2ccc(C(C)C)cc2)c1 ZINC000021994584 384721060 /nfs/dbraw/zinc/72/10/60/384721060.db2.gz MGPPCPPFIUIAGM-UHFFFAOYSA-N 0 0 211.308 4.180 10 0 BIAERN CCCc1nc2ccc(Cl)cc2cc1CC ZINC000021996312 169594188 /nfs/dbraw/zinc/59/41/88/169594188.db2.gz VDCPQKOVVFYNOM-UHFFFAOYSA-N 0 0 233.742 4.403 10 0 BIAERN CC(C)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000021997636 384721289 /nfs/dbraw/zinc/72/12/89/384721289.db2.gz WJPUHWWOXVFGQJ-MRXNPFEDSA-N 0 0 225.335 4.496 10 0 BIAERN CC(C)[C@H](Nc1ccccc1)c1ccccc1 ZINC000021997640 187254375 /nfs/dbraw/zinc/25/43/75/187254375.db2.gz WJPUHWWOXVFGQJ-INIZCTEOSA-N 0 0 225.335 4.496 10 0 BIAERN Cc1cc(C)c(Nc2ccccc2)c(C)c1 ZINC000021999275 384720007 /nfs/dbraw/zinc/72/00/07/384720007.db2.gz GBBQZSGRWMPLLF-UHFFFAOYSA-N 0 0 211.308 4.355 10 0 BIAERN Cc1ccc(N(C)c2ccccc2)cc1C ZINC000021999281 178702413 /nfs/dbraw/zinc/70/24/13/178702413.db2.gz FUSNZIAKJBXQDA-UHFFFAOYSA-N 0 0 211.308 4.071 10 0 BIAERN c1ncn(C2CCCCC2)c1-c1ccccc1 ZINC000022000726 183381113 /nfs/dbraw/zinc/38/11/13/183381113.db2.gz RJAUJRNONCTRPD-UHFFFAOYSA-N 0 0 226.323 4.055 10 0 BIAERN Cc1[nH]c(-c2ccccc2)nc1-c1ccccc1 ZINC000022000845 387205404 /nfs/dbraw/zinc/20/54/04/387205404.db2.gz WELZFURMIFFATQ-UHFFFAOYSA-N 0 0 234.302 4.052 10 0 BIAERN CCCCc1cc2cc(Cl)ccc2n1C(C)=O ZINC000022001091 169018555 /nfs/dbraw/zinc/01/85/55/169018555.db2.gz GUNWXUUFHAGGTA-UHFFFAOYSA-N 0 0 249.741 4.297 10 0 BIAERN COc1ccc(Nc2ccc(Cl)cc2)cc1 ZINC000022003863 175156244 /nfs/dbraw/zinc/15/62/44/175156244.db2.gz ZVRIJYYXBYPVTJ-UHFFFAOYSA-N 0 0 233.698 4.092 10 0 BIAERN CC1CCN(c2c[nH]c3c2cccc3Cl)CC1 ZINC000022004134 168187627 /nfs/dbraw/zinc/18/76/27/168187627.db2.gz KQUMBJOYFRVCAW-UHFFFAOYSA-N 0 0 248.757 4.058 10 0 BIAERN CC(=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 ZINC000022054324 384727655 /nfs/dbraw/zinc/72/76/55/384727655.db2.gz VCGYUAQMIROOQM-UHFFFAOYSA-N 0 0 243.693 4.177 10 0 in-vitro BIAERN CC(/C=C/C1=C(C)CCCC1(C)C)=C\CO ZINC000022061499 188254184 /nfs/dbraw/zinc/25/41/84/188254184.db2.gz VSMDCVLKAAVJFW-ANKZSMJWSA-N 0 0 220.356 4.008 10 0 in-vitro BIAERN CC(C)CNc1ccc2c(c1)Cc1ccccc1-2 ZINC000022148726 167017639 /nfs/dbraw/zinc/01/76/39/167017639.db2.gz UCZZKPXDXZBRDX-UHFFFAOYSA-N 0 0 237.346 4.326 10 0 BIAERN CCC[C@@H](C)CNc1ccc(C)cc1C ZINC000022149402 169361210 /nfs/dbraw/zinc/36/12/10/169361210.db2.gz CPZWWTNYYZIUHI-GFCCVEGCSA-N 0 0 205.345 4.152 10 0 BIAERN CCC(=O)c1ccc(-c2cccs2)cc1 ZINC000022154610 343913008 /nfs/dbraw/zinc/91/30/08/343913008.db2.gz HUQHSCACDHHZPA-UHFFFAOYSA-N 0 0 216.305 4.008 10 0 BIAERN Cc1cc2nc(-c3ccccc3)oc2c(C)c1 ZINC000022330289 398248161 /nfs/dbraw/zinc/24/81/61/398248161.db2.gz LGLCJQDPIJFZSM-UHFFFAOYSA-N 0 0 223.275 4.112 10 0 BIAERN Cc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 ZINC000022334525 178337508 /nfs/dbraw/zinc/33/75/08/178337508.db2.gz NFXBGEBXDTYVKL-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN Cc1ccc2oc(-c3cc(C)ccc3C)nc2c1 ZINC000022334901 386497373 /nfs/dbraw/zinc/49/73/73/386497373.db2.gz LKIDGGQTIUZBFC-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN Cc1cc2nc(-c3ccccc3C)oc2c(C)c1 ZINC000022335587 386495683 /nfs/dbraw/zinc/49/56/83/386495683.db2.gz RPLCJTJQCNXFRL-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN Cc1cc2nc(-c3ccc(F)cc3)oc2c(C)c1 ZINC000022336208 386495775 /nfs/dbraw/zinc/49/57/75/386495775.db2.gz JCORMUIROFVHCH-UHFFFAOYSA-N 0 0 241.265 4.251 10 0 BIAERN Cc1cc2nc(-c3cccc(F)c3)oc2c(C)c1 ZINC000022336883 386497147 /nfs/dbraw/zinc/49/71/47/386497147.db2.gz FYNHTDKFGRANIT-UHFFFAOYSA-N 0 0 241.265 4.251 10 0 BIAERN Cc1cc2nc(-c3ccccc3F)oc2c(C)c1 ZINC000022337787 386497507 /nfs/dbraw/zinc/49/75/07/386497507.db2.gz ZETGUOSPCLPVEV-UHFFFAOYSA-N 0 0 241.265 4.251 10 0 BIAERN Cc1ccc2oc(-c3c(F)cccc3F)nc2c1 ZINC000022340443 178985686 /nfs/dbraw/zinc/98/56/86/178985686.db2.gz MEBYOIZQOPBEGD-UHFFFAOYSA-N 0 0 245.228 4.081 10 0 BIAERN C[C@@H](Nc1nc2ccccc2s1)c1ccco1 ZINC000025581430 356663896 /nfs/dbraw/zinc/66/38/96/356663896.db2.gz JIXHGYGZRYXAFQ-SECBINFHSA-N 0 0 244.319 4.062 10 0 BIAERN C[C@H](Nc1nc2ccccc2s1)c1ccco1 ZINC000025581435 356663970 /nfs/dbraw/zinc/66/39/70/356663970.db2.gz JIXHGYGZRYXAFQ-VIFPVBQESA-N 0 0 244.319 4.062 10 0 BIAERN Cc1nn(-c2ccccc2)c(-c2ccccc2)c1C ZINC000025990446 180327939 /nfs/dbraw/zinc/32/79/39/180327939.db2.gz XSRZEAAYCKNXJZ-UHFFFAOYSA-N 0 0 248.329 4.156 10 0 BIAERN Cc1cc2nc(C)c(-c3ccccc3)nc2cc1C ZINC000026287829 178300420 /nfs/dbraw/zinc/30/04/20/178300420.db2.gz ULJBNYCHVNZBLA-UHFFFAOYSA-N 0 0 248.329 4.222 10 0 BIAERN Cc1cc2ccccc2n1Cc1ccccc1C ZINC000026331310 179292606 /nfs/dbraw/zinc/29/26/06/179292606.db2.gz DTUYIADXLBWYTO-UHFFFAOYSA-N 0 0 235.330 4.306 10 0 BIAERN Cc1ccc(C)c(Cn2ccc3ccccc32)c1 ZINC000026331326 178479300 /nfs/dbraw/zinc/47/93/00/178479300.db2.gz XGXHGELDCCBVIK-UHFFFAOYSA-N 0 0 235.330 4.306 10 0 BIAERN CC(C)=CCC/C(C)=C/CO[C@@H]1CCCCO1 ZINC000026392156 344139016 /nfs/dbraw/zinc/13/90/16/344139016.db2.gz JAINKEUHLGAETA-YVGNARHYSA-N 0 0 238.371 4.222 10 0 BIAERN CC(C)=CCC/C(C)=C/CO[C@H]1CCCCO1 ZINC000026392160 344139206 /nfs/dbraw/zinc/13/92/06/344139206.db2.gz JAINKEUHLGAETA-IPJDOKCGSA-N 0 0 238.371 4.222 10 0 BIAERN Clc1cnc(Oc2ccccc2)c(Cl)c1 ZINC000026459719 180598639 /nfs/dbraw/zinc/59/86/39/180598639.db2.gz VGKWJFIOUPPEIR-UHFFFAOYSA-N 0 0 240.089 4.181 10 0 BIAERN Cc1cccc(Oc2ccc(C=O)c(Cl)c2)c1 ZINC000026509355 179175534 /nfs/dbraw/zinc/17/55/34/179175534.db2.gz CALUZNQOFNSVPB-UHFFFAOYSA-N 0 0 246.693 4.253 10 0 BIAERN Cc1ccccc1Oc1ccc(C=O)c(Cl)c1 ZINC000026509365 179314361 /nfs/dbraw/zinc/31/43/61/179314361.db2.gz PLFJZZCXKBLOOY-UHFFFAOYSA-N 0 0 246.693 4.253 10 0 BIAERN CCC(=O)c1ccc(-c2ccsc2)cc1 ZINC000026544181 357175540 /nfs/dbraw/zinc/17/55/40/357175540.db2.gz WOYSKYQJYRZJDN-UHFFFAOYSA-N 0 0 216.305 4.008 10 0 BIAERN Cc1cc(C)c(-c2ccc(N)cc2C)c(C)c1 ZINC000026567501 177834643 /nfs/dbraw/zinc/83/46/43/177834643.db2.gz NPFGZCUJNACEPU-UHFFFAOYSA-N 0 0 225.335 4.169 10 0 BIAERN CCCCCCc1ccc2nc(N)sc2c1 ZINC000026727740 168680910 /nfs/dbraw/zinc/68/09/10/168680910.db2.gz REDNWBPLMOCHPC-UHFFFAOYSA-N 0 0 234.368 4.001 10 0 BIAERN C/C(=C(/C)c1cccc(O)c1)c1cccc(O)c1 ZINC000026971511 166231972 /nfs/dbraw/zinc/23/19/72/166231972.db2.gz LZVBSFWOSQFAFL-VAWYXSNFSA-N 0 0 240.302 4.048 10 0 BIAERN Cc1cc2c(cc1N)c1ccccc1n2C(C)C ZINC000027095154 178290776 /nfs/dbraw/zinc/29/07/76/178290776.db2.gz QUAFLMHTYSWARL-UHFFFAOYSA-N 0 0 238.334 4.266 10 0 BIAERN CC(C)n1c2ccc(N)cc2c2cc(F)ccc21 ZINC000027095665 167740019 /nfs/dbraw/zinc/74/00/19/167740019.db2.gz DFNNGWGUYSCADS-UHFFFAOYSA-N 0 0 242.297 4.097 10 0 BIAERN Cc1c2c3ccccc3n(C(C)C)c2ccc1N ZINC000027102310 344218448 /nfs/dbraw/zinc/21/84/48/344218448.db2.gz FZJTULAXKUGRCJ-UHFFFAOYSA-N 0 0 238.334 4.266 10 0 BIAERN Cc1cccc2c3cc(N)ccc3n(C(C)C)c21 ZINC000027104911 179225733 /nfs/dbraw/zinc/22/57/33/179225733.db2.gz HCFUNNDNWJUZTC-UHFFFAOYSA-N 0 0 238.334 4.266 10 0 BIAERN COc1cc(Cc2ccccc2)cc2ccccc21 ZINC000027194060 344234113 /nfs/dbraw/zinc/23/41/13/344234113.db2.gz XJXZSNBBOYRBID-UHFFFAOYSA-N 0 0 248.325 4.439 10 0 BIAERN Oc1cc(Cc2ccccc2)cc2ccccc12 ZINC000027194130 183256519 /nfs/dbraw/zinc/25/65/19/183256519.db2.gz FSIJBIUONPSYQC-UHFFFAOYSA-N 0 0 234.298 4.136 10 0 BIAERN Cc1ccc(Cc2ccc3ccccc3c2O)cc1 ZINC000027195984 344234610 /nfs/dbraw/zinc/23/46/10/344234610.db2.gz NNWJRURPRFDYDN-UHFFFAOYSA-N 0 0 248.325 4.445 10 0 BIAERN Cc1cc(Cc2ccccc2)c(O)c2ccccc12 ZINC000027196320 178059419 /nfs/dbraw/zinc/05/94/19/178059419.db2.gz GHOKVAYXZVPXQT-UHFFFAOYSA-N 0 0 248.325 4.445 10 0 BIAERN COc1c(Cc2ccccc2)ccc2ccccc21 ZINC000027197317 344234578 /nfs/dbraw/zinc/23/45/78/344234578.db2.gz ZFZSMCIZARXSOV-UHFFFAOYSA-N 0 0 248.325 4.439 10 0 BIAERN Cc1ccccc1Cc1ccc2ccccc2c1O ZINC000027197917 179293006 /nfs/dbraw/zinc/29/30/06/179293006.db2.gz CFDYAGKMKWEKLW-UHFFFAOYSA-N 0 0 248.325 4.445 10 0 BIAERN Oc1c(CCc2ccccc2)ccc2ccccc21 ZINC000027198102 183253308 /nfs/dbraw/zinc/25/33/08/183253308.db2.gz AWIJHZIZSALXDG-UHFFFAOYSA-N 0 0 248.325 4.331 10 0 BIAERN Oc1cc2ccccc2cc1Cc1ccccc1 ZINC000027199350 183262758 /nfs/dbraw/zinc/26/27/58/183262758.db2.gz VRGRWORBSZRBEB-UHFFFAOYSA-N 0 0 234.298 4.136 10 0 BIAERN Oc1c(Cc2cccs2)ccc2ccccc21 ZINC000027202378 183253774 /nfs/dbraw/zinc/25/37/74/183253774.db2.gz HPJGETYZSVQVEO-UHFFFAOYSA-N 0 0 240.327 4.198 10 0 BIAERN c1ccc(CN2Sc3ccccc3S2)cc1 ZINC000027636296 384126113 /nfs/dbraw/zinc/12/61/13/384126113.db2.gz JGXDQRKLHJURIO-UHFFFAOYSA-N 0 0 245.372 4.217 10 0 BIAERN CCc1cc(-c2ccc(F)cc2)cs1 ZINC000028361561 171746689 /nfs/dbraw/zinc/74/66/89/171746689.db2.gz BSINKRSDXFQCAI-UHFFFAOYSA-N 0 0 206.285 4.117 10 0 BIAERN c1ccc(COc2ccc(CC3CC3)cc2)cc1 ZINC000028528418 384968098 /nfs/dbraw/zinc/96/80/98/384968098.db2.gz ANPJWOCHLYWWSR-UHFFFAOYSA-N 0 0 238.330 4.218 10 0 BIAERN Clc1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000028537426 343141336 /nfs/dbraw/zinc/14/13/36/343141336.db2.gz HGRZMLPXZOHGHR-UHFFFAOYSA-N 0 0 219.715 4.090 10 0 BIAERN C[C@@H]1CCC=C2CC[C@@H]3[C@@H](C3(C)C)[C@]21C ZINC000028540947 560091650 /nfs/dbraw/zinc/09/16/50/560091650.db2.gz MBIPADCEHSKJDQ-PBOSXPJTSA-N 0 0 204.357 4.415 10 0 biogenic,in-vitro BIAERN CC/C=C/C=C\CCCCCCCCO ZINC000028631424 188082251 /nfs/dbraw/zinc/08/22/51/188082251.db2.gz ZKCFLTTYWFSLDK-ICWBMWKASA-N 0 0 210.361 4.232 10 0 BIAERN c1ccn(Nc2ccc(Nc3ccccc3)cc2)c1 ZINC000028759908 183417809 /nfs/dbraw/zinc/41/78/09/183417809.db2.gz FYXHMSKSSNNZNI-UHFFFAOYSA-N 0 0 249.317 4.107 10 0 BIAERN C=C(c1ccccc1)c1cc(CC)ccc1O ZINC000028760903 344413526 /nfs/dbraw/zinc/41/35/26/344413526.db2.gz SHJGLZYWSOCZGF-UHFFFAOYSA-N 0 0 224.303 4.016 10 0 BIAERN C=C(c1ccc(C)cc1)c1cc(CC)ccc1O ZINC000028761231 344413503 /nfs/dbraw/zinc/41/35/03/344413503.db2.gz FBVDDDMOBRZAOC-UHFFFAOYSA-N 0 0 238.330 4.325 10 0 BIAERN C=C(c1ccc(F)cc1)c1ccc(CC)cc1O ZINC000028761233 344413467 /nfs/dbraw/zinc/41/34/67/344413467.db2.gz CBRORQLCLKZOIM-UHFFFAOYSA-N 0 0 242.293 4.155 10 0 BIAERN CCc1ccc(O)c(Sc2ccccc2)c1 ZINC000028761251 384643894 /nfs/dbraw/zinc/64/38/94/384643894.db2.gz JREMWNCJEPKZGJ-UHFFFAOYSA-N 0 0 230.332 4.106 10 0 BIAERN CCc1ccc(O)c(Cc2ccc(Cl)cc2)c1 ZINC000028761283 384643190 /nfs/dbraw/zinc/64/31/90/384643190.db2.gz IVHVEFPZAKGVEE-UHFFFAOYSA-N 0 0 246.737 4.199 10 0 BIAERN CCCCc1cccc([C@@H](C)CC)c1O ZINC000028766341 344414666 /nfs/dbraw/zinc/41/46/66/344414666.db2.gz IPBIPEHNUKRTBD-NSHDSACASA-N 0 0 206.329 4.248 10 0 BIAERN CCCCc1cccc([C@H](C)CC)c1O ZINC000028766343 344414678 /nfs/dbraw/zinc/41/46/78/344414678.db2.gz IPBIPEHNUKRTBD-LLVKDONJSA-N 0 0 206.329 4.248 10 0 BIAERN CCCCc1c(C)ccc(C(C)C)c1O ZINC000028767783 384647364 /nfs/dbraw/zinc/64/73/64/384647364.db2.gz CXUXTUZJLWFBQA-UHFFFAOYSA-N 0 0 206.329 4.167 10 0 BIAERN CCC[C@@H](C)c1cccc(C(C)C)c1O ZINC000028767884 169374230 /nfs/dbraw/zinc/37/42/30/169374230.db2.gz LRZHPFKOOGPXPU-LLVKDONJSA-N 0 0 206.329 4.419 10 0 BIAERN CCC[C@H](C)c1cccc(C(C)C)c1O ZINC000028767885 384647580 /nfs/dbraw/zinc/64/75/80/384647580.db2.gz LRZHPFKOOGPXPU-NSHDSACASA-N 0 0 206.329 4.419 10 0 BIAERN Clc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000028814943 355358747 /nfs/dbraw/zinc/35/87/47/355358747.db2.gz VGBHQZWWYLTLCB-UHFFFAOYSA-N 0 0 243.693 4.072 10 0 BIAERN O=C1c2ccccc2CC[C@@H]1C1CCCCC1 ZINC000029039251 384998974 /nfs/dbraw/zinc/99/89/74/384998974.db2.gz BDPILLSKBDADCP-OAHLLOKOSA-N 0 0 228.335 4.012 10 0 BIAERN O=C1c2ccccc2CC[C@H]1C1CCCCC1 ZINC000029039253 384997644 /nfs/dbraw/zinc/99/76/44/384997644.db2.gz BDPILLSKBDADCP-HNNXBMFYSA-N 0 0 228.335 4.012 10 0 BIAERN Oc1cccc(-c2ccc3ccccc3c2)c1 ZINC000029056253 183286599 /nfs/dbraw/zinc/28/65/99/183286599.db2.gz FQDQJXSIUCYJDC-UHFFFAOYSA-N 0 0 220.271 4.212 10 0 in-vivo BIAERN Cc1cc2c(cc1C1CCCCC1)OC(=O)[C@@H]2C ZINC000029248118 178289078 /nfs/dbraw/zinc/28/90/78/178289078.db2.gz SQFASRXPWDKPAC-LLVKDONJSA-N 0 0 244.334 4.065 10 0 BIAERN C/C=C/Oc1ccc(Oc2ccccc2)cc1 ZINC000029319776 344557991 /nfs/dbraw/zinc/55/79/91/344557991.db2.gz KKTPQXVGMVYVTB-SWGQDTFXSA-N 0 0 226.275 4.391 10 0 BIAERN C[C@@H](Nc1nc2ccccc2o1)c1cccs1 ZINC000029334354 175936859 /nfs/dbraw/zinc/93/68/59/175936859.db2.gz LIOXMJPDDWUEQT-SECBINFHSA-N 0 0 244.319 4.062 10 0 BIAERN C[C@H](Nc1nc2ccccc2o1)c1cccs1 ZINC000029334359 371752163 /nfs/dbraw/zinc/75/21/63/371752163.db2.gz LIOXMJPDDWUEQT-VIFPVBQESA-N 0 0 244.319 4.062 10 0 BIAERN CCc1c2cc(N(C)C)ccc2n(C(C)C)c1C ZINC000029487599 171740438 /nfs/dbraw/zinc/74/04/38/171740438.db2.gz BNEBFGRSHOKMAB-UHFFFAOYSA-N 0 0 244.382 4.159 10 0 BIAERN Cc1cc(/C=C/c2ccccc2)cc(C)c1O ZINC000029548831 344668993 /nfs/dbraw/zinc/66/89/93/344668993.db2.gz PAHKYLUYTGBFNW-CMDGGOBGSA-N 0 0 224.303 4.179 10 0 in-vivo BIAERN Cc1cc(/C=C/c2ccsc2)cc(C)c1O ZINC000029554436 344672389 /nfs/dbraw/zinc/67/23/89/344672389.db2.gz MEPIXXCKHVKBIS-ONEGZZNKSA-N 0 0 230.332 4.241 10 0 BIAERN Cc1cc(/C=C/c2cccs2)cc(F)c1O ZINC000029560860 343143818 /nfs/dbraw/zinc/14/38/18/343143818.db2.gz MMQWBBZHPFOLKO-SNAWJCMRSA-N 0 0 234.295 4.072 10 0 BIAERN Clc1ccc(Oc2ccccn2)c(Cl)c1 ZINC000031302904 180584945 /nfs/dbraw/zinc/58/49/45/180584945.db2.gz HGUVEDKUWZLVAI-UHFFFAOYSA-N 0 0 240.089 4.181 10 0 BIAERN C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCO ZINC000031351244 176217477 /nfs/dbraw/zinc/21/74/77/176217477.db2.gz ZWDUZFUFYAXULG-KQTLUZQSSA-N 0 0 238.415 4.248 10 0 BIAERN Oc1cc(Cl)cc(-c2cccc(Cl)c2)c1 ZINC000031517504 183258740 /nfs/dbraw/zinc/25/87/40/183258740.db2.gz PCDMWQLKNQIRNA-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN CC[C@H](C)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000031771079 171256742 /nfs/dbraw/zinc/25/67/42/171256742.db2.gz FGHREPYEIHRUKM-IGQOVBAYSA-N 0 0 240.387 4.037 10 0 in-vitro BIAERN Cc1cc2nc(C3CCCCC3)[nH]c2cc1C ZINC000031943792 178301359 /nfs/dbraw/zinc/30/13/59/178301359.db2.gz BFOAHJXSAYIZIL-UHFFFAOYSA-N 0 0 228.339 4.227 10 0 BIAERN Nc1ccc(-c2ccc(Cl)cc2)c(Cl)c1 ZINC000032003102 345705298 /nfs/dbraw/zinc/70/52/98/345705298.db2.gz XUKCHHOHKUJLJD-UHFFFAOYSA-N 0 0 238.117 4.243 10 0 BIAERN Nc1ccccc1-c1cc(Cl)ccc1Cl ZINC000032003107 181750562 /nfs/dbraw/zinc/75/05/62/181750562.db2.gz MDZFZLHCINJNRC-UHFFFAOYSA-N 0 0 238.117 4.243 10 0 BIAERN CC(C)CNc1ccccc1C(C)(C)C ZINC000032010592 167019294 /nfs/dbraw/zinc/01/92/94/167019294.db2.gz LEFJPFLUILYNOS-UHFFFAOYSA-N 0 0 205.345 4.052 10 0 BIAERN CC[C@H](C)Nc1ccccc1C(C)(C)C ZINC000032010598 171350242 /nfs/dbraw/zinc/35/02/42/171350242.db2.gz WBRFKMQTYCMFKI-NSHDSACASA-N 0 0 205.345 4.195 10 0 BIAERN CC[C@H](C)Nc1c(C)cc(C)cc1Cl ZINC000032012639 171349670 /nfs/dbraw/zinc/34/96/70/171349670.db2.gz YYYYEHQNOKGZSV-JTQLQIEISA-N 0 0 211.736 4.167 10 0 BIAERN CC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1 ZINC000032014824 384999495 /nfs/dbraw/zinc/99/94/95/384999495.db2.gz OKDPCYRKKFYDTK-UHFFFAOYSA-N 0 0 224.303 4.173 10 0 BIAERN CC(=O)c1ccc(-c2cc(C)ccc2C)cc1 ZINC000032014825 166450219 /nfs/dbraw/zinc/45/02/19/166450219.db2.gz VNZKQJMMBRNODZ-UHFFFAOYSA-N 0 0 224.303 4.173 10 0 BIAERN Cc1ccc(CNc2c(C)cccc2C)cc1 ZINC000032015082 178637408 /nfs/dbraw/zinc/63/74/08/178637408.db2.gz AMZKTPUAGPBKCF-UHFFFAOYSA-N 0 0 225.335 4.224 10 0 BIAERN CCCc1ccc(C(=O)C2CCCCC2)cc1 ZINC000032015956 187256333 /nfs/dbraw/zinc/25/63/33/187256333.db2.gz LZOVTWRMLMEIES-UHFFFAOYSA-N 0 0 230.351 4.402 10 0 BIAERN Cc1cc2cc(-c3ccccc3)c(N)nc2cc1C ZINC000032099291 178293977 /nfs/dbraw/zinc/29/39/77/178293977.db2.gz VECLQLVXYTXQAH-UHFFFAOYSA-N 0 0 248.329 4.101 10 0 BIAERN CCc1ccc2nc(N)c(-c3ccccc3)cc2c1 ZINC000032099309 385132455 /nfs/dbraw/zinc/13/24/55/385132455.db2.gz CPAQAVMFIJQKQJ-UHFFFAOYSA-N 0 0 248.329 4.046 10 0 BIAERN CCc1cccc2cc(-c3ccccc3)c(N)nc21 ZINC000032099335 385132542 /nfs/dbraw/zinc/13/25/42/385132542.db2.gz AZWORGQSHJMTLC-UHFFFAOYSA-N 0 0 248.329 4.046 10 0 BIAERN CCc1cc2c(Cl)ccc(C)c2nc1Cl ZINC000032099684 171775096 /nfs/dbraw/zinc/77/50/96/171775096.db2.gz CCNPEEROUHZRCX-UHFFFAOYSA-N 0 0 240.133 4.412 10 0 BIAERN CCc1cc2cc(Cl)cc(C)c2nc1Cl ZINC000032099686 343229528 /nfs/dbraw/zinc/22/95/28/343229528.db2.gz ZYRWSUAIIDHWBB-UHFFFAOYSA-N 0 0 240.133 4.412 10 0 BIAERN CCc1cc2cc(Cl)ccc2nc1Cl ZINC000032099688 171776445 /nfs/dbraw/zinc/77/64/45/171776445.db2.gz TXFBXNIYHNTZSB-UHFFFAOYSA-N 0 0 226.106 4.104 10 0 BIAERN CCc1cc2ccc(Cl)c(C)c2nc1Cl ZINC000032099694 171776677 /nfs/dbraw/zinc/77/66/77/171776677.db2.gz KNASWJLQCCKJNK-UHFFFAOYSA-N 0 0 240.133 4.412 10 0 BIAERN CCc1cc2ccc(Cl)cc2nc1Cl ZINC000032099696 171776635 /nfs/dbraw/zinc/77/66/35/171776635.db2.gz CPMBFXPQWNYBMB-UHFFFAOYSA-N 0 0 226.106 4.104 10 0 BIAERN CCc1ccc2nc(Cl)c(CC)cc2c1 ZINC000032099701 171852076 /nfs/dbraw/zinc/85/20/76/171852076.db2.gz BHHPKCLHNBANBB-UHFFFAOYSA-N 0 0 219.715 4.013 10 0 BIAERN O[C@H](c1ccc2c(c1)CCCC2)C1CCCCC1 ZINC000032101878 183229702 /nfs/dbraw/zinc/22/97/02/183229702.db2.gz NWHJDNMIARFPFY-KRWDZBQOSA-N 0 0 244.378 4.179 10 0 BIAERN O[C@@H](c1ccc2c(c1)CCCC2)C1CCCCC1 ZINC000032101880 183185734 /nfs/dbraw/zinc/18/57/34/183185734.db2.gz NWHJDNMIARFPFY-QGZVFWFLSA-N 0 0 244.378 4.179 10 0 BIAERN CCC(=O)c1ccc(N2CCCC[C@H]2CC)cc1 ZINC000032102260 132335159 /nfs/dbraw/zinc/33/51/59/132335159.db2.gz PHLGVRZJIJZZAQ-CQSZACIVSA-N 0 0 245.366 4.048 10 0 BIAERN CCC(=O)c1ccc(N2CCCC[C@@H]2CC)cc1 ZINC000032102262 132335266 /nfs/dbraw/zinc/33/52/66/132335266.db2.gz PHLGVRZJIJZZAQ-AWEZNQCLSA-N 0 0 245.366 4.048 10 0 BIAERN C(=C\c1ccccc1)\CSc1ccccc1 ZINC000032137501 166228077 /nfs/dbraw/zinc/22/80/77/166228077.db2.gz FEHPZIJSLMHZSJ-YFHOEESVSA-N 0 0 226.344 4.492 10 0 BIAERN c1ccc2c(c1)[nH]c1c2CCCCCCC1 ZINC000032167604 350415562 /nfs/dbraw/zinc/41/55/62/350415562.db2.gz LQBNTQJUHYITNL-UHFFFAOYSA-N 0 0 213.324 4.217 10 0 BIAERN Cc1ccc(C(=O)CCC2CCCC2)c(C)c1 ZINC000032170091 353270172 /nfs/dbraw/zinc/27/01/72/353270172.db2.gz HBHSYTBGQDBFRT-UHFFFAOYSA-N 0 0 230.351 4.457 10 0 BIAERN C/C=C/c1ccc(OCC=C(C)C)cc1 ZINC000032170436 560089321 /nfs/dbraw/zinc/08/93/21/560089321.db2.gz JGELFJUQMIUNOO-SNAWJCMRSA-N 0 0 202.297 4.065 10 0 biogenic,in-vitro BIAERN CC(C)c1ccccc1C(=O)c1ccccc1 ZINC000032224416 345758799 /nfs/dbraw/zinc/75/87/99/345758799.db2.gz SQHKKVDREPFJLB-UHFFFAOYSA-N 0 0 224.303 4.041 10 0 BIAERN Fc1cc(F)c(F)c(Oc2ccccc2)c1F ZINC000032224749 345758609 /nfs/dbraw/zinc/75/86/09/345758609.db2.gz PCNXCVPOOQQNIK-UHFFFAOYSA-N 0 0 242.171 4.035 10 0 BIAERN Clc1ccc([C@H]2O[C@@H]2c2ccccc2)cc1 ZINC000032235098 350420806 /nfs/dbraw/zinc/42/08/06/350420806.db2.gz AWZJRRBGXZWVOY-ZIAGYGMSSA-N 0 0 230.694 4.153 10 0 BIAERN Cc1ccc(C(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000032237617 387077783 /nfs/dbraw/zinc/07/77/83/387077783.db2.gz ADLCXUPBYIVLRD-UHFFFAOYSA-N 0 0 244.721 4.188 10 0 BIAERN Fc1ccc2c(c1)C=Cc1ccccc1N2 ZINC000032238236 350420500 /nfs/dbraw/zinc/42/05/00/350420500.db2.gz OPSOKNBQDJBUDK-UHFFFAOYSA-N 0 0 211.239 4.053 10 0 BIAERN CC1=Nc2ccccc2[C@@]1(C)Cc1ccccc1 ZINC000032241843 168137704 /nfs/dbraw/zinc/13/77/04/168137704.db2.gz AWVNNGZYZBLWFH-KRWDZBQOSA-N 0 0 235.330 4.293 10 0 BIAERN CC1=Nc2ccccc2[C@]1(C)Cc1ccccc1 ZINC000032241845 168138289 /nfs/dbraw/zinc/13/82/89/168138289.db2.gz AWVNNGZYZBLWFH-QGZVFWFLSA-N 0 0 235.330 4.293 10 0 BIAERN Cc1ccc2c(Cl)c3ccccc3nc2c1 ZINC000032255206 345760632 /nfs/dbraw/zinc/76/06/32/345760632.db2.gz ANXQUYIMZBBVAY-UHFFFAOYSA-N 0 0 227.694 4.350 10 0 BIAERN Cc1cccc2c(Cl)c3ccccc3nc12 ZINC000032255208 345760816 /nfs/dbraw/zinc/76/08/16/345760816.db2.gz BJKBNMNIEHNIPT-UHFFFAOYSA-N 0 0 227.694 4.350 10 0 BIAERN Cc1[nH]c2ccccc2c1C(=O)c1cccc(C)c1 ZINC000032265201 179026821 /nfs/dbraw/zinc/02/68/21/179026821.db2.gz NLNNWSGQMRQASX-UHFFFAOYSA-N 0 0 249.313 4.016 10 0 BIAERN Clc1cccc2nc3cccc(Cl)c3nc12 ZINC000032265211 368691179 /nfs/dbraw/zinc/69/11/79/368691179.db2.gz DCKUXYHWYKPULG-UHFFFAOYSA-N 0 0 249.100 4.090 10 0 BIAERN Oc1ccc2c(c1)Nc1cc(Cl)ccc1S2 ZINC000032265309 183279928 /nfs/dbraw/zinc/27/99/28/183279928.db2.gz IVVXEUJFLBKGHN-UHFFFAOYSA-N 0 0 249.722 4.254 10 0 BIAERN Oc1ccc2c(c1)Sc1ccc(Cl)cc1N2 ZINC000032265312 183281643 /nfs/dbraw/zinc/28/16/43/183281643.db2.gz CIAFBHJSFCQEBJ-UHFFFAOYSA-N 0 0 249.722 4.254 10 0 in-vitro BIAERN Cc1ccc2c(C)cc3occ(C)c3cc1-2 ZINC000032303967 178307128 /nfs/dbraw/zinc/30/71/28/178307128.db2.gz LMVGRKPOXLBIFQ-UHFFFAOYSA-N 0 0 210.276 4.463 10 0 biogenic,in-vitro BIAERN CCCc1cc(=S)oc2cc(OC)ccc12 ZINC000032500141 535777204 /nfs/dbraw/zinc/77/72/04/535777204.db2.gz HRKNIIFIVSPTSB-UHFFFAOYSA-N 0 0 234.320 4.123 10 0 BIAERN CCc1ccc2nc(Cl)c(Cl)cc2c1 ZINC000032500816 171851740 /nfs/dbraw/zinc/85/17/40/171851740.db2.gz FTNSQCQBELGDPE-UHFFFAOYSA-N 0 0 226.106 4.104 10 0 BIAERN Clc1ccc2c(c1)S[C@H]1CCCC[C@H]1N2 ZINC000032501043 180587842 /nfs/dbraw/zinc/58/78/42/180587842.db2.gz MIYHEMPSYRHONC-KOLCDFICSA-N 0 0 239.771 4.169 10 0 BIAERN Clc1ccc2c(c1)S[C@@H]1CCCC[C@@H]1N2 ZINC000032501046 180587298 /nfs/dbraw/zinc/58/72/98/180587298.db2.gz MIYHEMPSYRHONC-GXSJLCMTSA-N 0 0 239.771 4.169 10 0 BIAERN O=Cc1cccc(-c2ccc3c(c2)CCCC3)c1 ZINC000033427853 642141664 /nfs/dbraw/zinc/14/16/64/642141664.db2.gz JYIBNYSCOMWMFB-UHFFFAOYSA-N 0 0 236.314 4.045 10 0 BIAERN O=Cc1ccc(-c2ccc3c(c2)CCCC3)cc1 ZINC000033427854 642141307 /nfs/dbraw/zinc/14/13/07/642141307.db2.gz GYCGBFVECOYISI-UHFFFAOYSA-N 0 0 236.314 4.045 10 0 BIAERN Nc1ccc(-c2cccc(Cl)c2Cl)cc1 ZINC000033428114 181694980 /nfs/dbraw/zinc/69/49/80/181694980.db2.gz INBIBMCSWKXVMQ-UHFFFAOYSA-N 0 0 238.117 4.243 10 0 BIAERN CC(=O)c1ccc(-c2c[nH]c3ccccc32)cc1 ZINC000033428551 166450059 /nfs/dbraw/zinc/45/00/59/166450059.db2.gz PETKWQXZLJDRMU-UHFFFAOYSA-N 0 0 235.286 4.038 10 0 BIAERN CC(=O)c1ccc(-c2cccc3cccnc32)cc1 ZINC000033428796 166451305 /nfs/dbraw/zinc/45/13/05/166451305.db2.gz LZCFLWQGMPYEJF-UHFFFAOYSA-N 0 0 247.297 4.104 10 0 BIAERN O=C(Cc1ccccc1Cl)C1CCCCC1 ZINC000033465895 182045451 /nfs/dbraw/zinc/04/54/51/182045451.db2.gz ORRHPZQZLUDZSE-UHFFFAOYSA-N 0 0 236.742 4.032 10 0 BIAERN O=C(Cc1cccc(Cl)c1)C1CCCCC1 ZINC000033465896 182041279 /nfs/dbraw/zinc/04/12/79/182041279.db2.gz GHCORWOVOFVYKU-UHFFFAOYSA-N 0 0 236.742 4.032 10 0 BIAERN O=C(Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000033465897 182033866 /nfs/dbraw/zinc/03/38/66/182033866.db2.gz IHRRMYLZQHUSQF-UHFFFAOYSA-N 0 0 236.742 4.032 10 0 BIAERN CCCNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000033466343 188011122 /nfs/dbraw/zinc/01/11/22/188011122.db2.gz OJCDWIVRSFLURR-UHFFFAOYSA-N 0 0 237.652 4.181 10 0 BIAERN CCC(=O)c1ccc(N(C)c2ccccc2)cc1 ZINC000033468748 168255700 /nfs/dbraw/zinc/25/57/00/168255700.db2.gz WFUXLZQIFPOLFE-UHFFFAOYSA-N 0 0 239.318 4.047 10 0 BIAERN Cc1cccc(C)c1NCCCc1ccccc1 ZINC000033468779 179043949 /nfs/dbraw/zinc/04/39/49/179043949.db2.gz WHORWUOSNHYZDR-UHFFFAOYSA-N 0 0 239.362 4.348 10 0 BIAERN Oc1cccc(-c2cccc(Cl)c2Cl)c1 ZINC000033505956 183286845 /nfs/dbraw/zinc/28/68/45/183286845.db2.gz XOEDUAHNCQMYPH-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN CCC[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000033506250 384229058 /nfs/dbraw/zinc/22/90/58/384229058.db2.gz WLYBMJTXHGJILP-MRXNPFEDSA-N 0 0 226.319 4.187 10 0 BIAERN CCC[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000033506251 169520946 /nfs/dbraw/zinc/52/09/46/169520946.db2.gz WLYBMJTXHGJILP-INIZCTEOSA-N 0 0 226.319 4.187 10 0 BIAERN C[C@@H]1CCCCCCCCCCC(=O)C1 ZINC000033605103 398012764 /nfs/dbraw/zinc/01/27/64/398012764.db2.gz CVMWCRDXSQGRSJ-CYBMUJFWSA-N 0 0 210.361 4.496 10 0 biogenic,in-vitro BIAERN C[C@H]1CCCCCCCCCCC(=O)C1 ZINC000033605104 188111064 /nfs/dbraw/zinc/11/10/64/188111064.db2.gz CVMWCRDXSQGRSJ-ZDUSSCGKSA-N 0 0 210.361 4.496 10 0 BIAERN CCOC(C[C@@H](C)CCC=C(C)C)OCC ZINC000033606065 170316166 /nfs/dbraw/zinc/31/61/66/170316166.db2.gz HYNXWFKVWMABRM-ZDUSSCGKSA-N 0 0 228.376 4.158 10 0 BIAERN CCOC(C[C@H](C)CCC=C(C)C)OCC ZINC000033606067 170316308 /nfs/dbraw/zinc/31/63/08/170316308.db2.gz HYNXWFKVWMABRM-CYBMUJFWSA-N 0 0 228.376 4.158 10 0 BIAERN C[C@@H](c1ccccc1)c1ccc(O)c(Cl)c1 ZINC000033607115 176024157 /nfs/dbraw/zinc/02/41/57/176024157.db2.gz LMEXXUGPTZYJQU-JTQLQIEISA-N 0 0 232.710 4.197 10 0 BIAERN C[C@H](c1ccccc1)c1ccc(O)c(Cl)c1 ZINC000033607117 385253687 /nfs/dbraw/zinc/25/36/87/385253687.db2.gz LMEXXUGPTZYJQU-SNVBAGLBSA-N 0 0 232.710 4.197 10 0 BIAERN COC(OC)[C@H]1CC=C(CCCC(C)C)CC1 ZINC000033607321 173965622 /nfs/dbraw/zinc/96/56/22/173965622.db2.gz WMFBFSHKNMJVFB-AWEZNQCLSA-N 0 0 240.387 4.158 10 0 BIAERN COC(OC)[C@@H]1CC=C(CCCC(C)C)CC1 ZINC000033607322 173965165 /nfs/dbraw/zinc/96/51/65/173965165.db2.gz WMFBFSHKNMJVFB-CQSZACIVSA-N 0 0 240.387 4.158 10 0 BIAERN O=C(C1CCCCC1)C1(Cl)CCCCC1 ZINC000033607331 344871896 /nfs/dbraw/zinc/87/18/96/344871896.db2.gz XUQRWKLGCUYTBQ-UHFFFAOYSA-N 0 0 228.763 4.078 10 0 BIAERN CC[C@@H](C)C(=O)OCC[C@@H](C)CCC=C(C)C ZINC000033608958 385254278 /nfs/dbraw/zinc/25/42/78/385254278.db2.gz VLUIZCDJJSDSKM-UONOGXRCSA-N 0 0 240.387 4.348 10 0 BIAERN CC[C@H](C)C(=O)OCC[C@@H](C)CCC=C(C)C ZINC000033608960 171256198 /nfs/dbraw/zinc/25/61/98/171256198.db2.gz VLUIZCDJJSDSKM-KBPBESRZSA-N 0 0 240.387 4.348 10 0 BIAERN CC[C@H](C)C(=O)OCC[C@H](C)CCC=C(C)C ZINC000033608963 171256947 /nfs/dbraw/zinc/25/69/47/171256947.db2.gz VLUIZCDJJSDSKM-KGLIPLIRSA-N 0 0 240.387 4.348 10 0 BIAERN CCSc1ccc(C(=O)c2ccccc2)cc1 ZINC000033610086 170654402 /nfs/dbraw/zinc/65/44/02/170654402.db2.gz NANYNGAUTNBYKH-UHFFFAOYSA-N 0 0 242.343 4.030 10 0 BIAERN CC(C)c1cccc(C2CCCC2)c1O ZINC000033611094 343257903 /nfs/dbraw/zinc/25/79/03/343257903.db2.gz QAASULYKVXLJKW-UHFFFAOYSA-N 0 0 204.313 4.173 10 0 BIAERN CC[C@@H](O)CCC[C@@H](C)CCCC(C)C ZINC000033611434 343257875 /nfs/dbraw/zinc/25/78/75/343257875.db2.gz FRUDUNOMFKEQDI-UONOGXRCSA-N 0 0 214.393 4.390 10 0 BIAERN CC[C@H](O)CCC[C@@H](C)CCCC(C)C ZINC000033611435 343257867 /nfs/dbraw/zinc/25/78/67/343257867.db2.gz FRUDUNOMFKEQDI-KBPBESRZSA-N 0 0 214.393 4.390 10 0 BIAERN CC[C@@H](O)CCC[C@H](C)CCCC(C)C ZINC000033611436 343257881 /nfs/dbraw/zinc/25/78/81/343257881.db2.gz FRUDUNOMFKEQDI-ZIAGYGMSSA-N 0 0 214.393 4.390 10 0 BIAERN CC[C@H](O)CCC[C@H](C)CCCC(C)C ZINC000033611437 343257835 /nfs/dbraw/zinc/25/78/35/343257835.db2.gz FRUDUNOMFKEQDI-KGLIPLIRSA-N 0 0 214.393 4.390 10 0 BIAERN CCCc1cc(CCC)c(C=O)c(CCC)c1 ZINC000033637311 169565283 /nfs/dbraw/zinc/56/52/83/169565283.db2.gz XLBMUNUEKHFEFL-UHFFFAOYSA-N 0 0 232.367 4.357 10 0 BIAERN CC(=O)c1ccc(C(C)C)c(C(C)C)c1 ZINC000033637769 343258272 /nfs/dbraw/zinc/25/82/72/343258272.db2.gz ZDINBUUATIMDHJ-UHFFFAOYSA-N 0 0 204.313 4.136 10 0 BIAERN C[C@@H](C#N)c1ccc2oc(-c3ccccc3)nc2c1 ZINC000033755334 398108345 /nfs/dbraw/zinc/10/83/45/398108345.db2.gz YFOCIWCOHSRRKX-NSHDSACASA-N 0 0 248.285 4.122 10 0 BIAERN C[C@H](C#N)c1ccc2oc(-c3ccccc3)nc2c1 ZINC000033755335 398108610 /nfs/dbraw/zinc/10/86/10/398108610.db2.gz YFOCIWCOHSRRKX-LLVKDONJSA-N 0 0 248.285 4.122 10 0 BIAERN Cc1cccc(C)c1NCC1CCCCC1 ZINC000033802089 179043105 /nfs/dbraw/zinc/04/31/05/179043105.db2.gz HVCLSHYLVVJBBW-UHFFFAOYSA-N 0 0 217.356 4.296 10 0 BIAERN c1cc2nc(c1)CCCCCCCCCC2 ZINC000033830545 183377331 /nfs/dbraw/zinc/37/73/31/183377331.db2.gz YZPIVPVXEUAVNR-UHFFFAOYSA-N 0 0 217.356 4.301 10 0 biogenic,in-vitro BIAERN Cc1ccc(-c2csc(Cl)n2)c(C)c1 ZINC000033835606 178330140 /nfs/dbraw/zinc/33/01/40/178330140.db2.gz SLDDBVKVVUKZLE-UHFFFAOYSA-N 0 0 223.728 4.080 10 0 BIAERN C/C1=C\CC[C@@](C)(O)/C=C/[C@H](C(C)C)CC1 ZINC000033838530 560088022 /nfs/dbraw/zinc/08/80/22/560088022.db2.gz RHCTXHCNRLCYBN-QPDMSNBJSA-N 0 0 222.372 4.086 10 0 biogenic,in-vitro BIAERN CC/C=C\CCOC(C)OCC/C=C\CC ZINC000033842420 571747096 /nfs/dbraw/zinc/74/70/96/571747096.db2.gz KCPFRJBAXWUXIG-VRHVFUOLSA-N 0 0 226.360 4.078 10 0 endogenous,in-man BIAERN Oc1ccccc1/C=C/c1ccc(Cl)cc1 ZINC000033847461 345812320 /nfs/dbraw/zinc/81/23/20/345812320.db2.gz UMTPURDYBKYIIM-VMPITWQZSA-N 0 0 230.694 4.216 10 0 BIAERN C[C@@H]1CC(=O)c2cc(-c3ccccc3)ccc21 ZINC000033866330 176050712 /nfs/dbraw/zinc/05/07/12/176050712.db2.gz MGBNTDJKXLILSH-LLVKDONJSA-N 0 0 222.287 4.044 10 0 BIAERN C[C@H]1CC(=O)c2cc(-c3ccccc3)ccc21 ZINC000033866331 177063257 /nfs/dbraw/zinc/06/32/57/177063257.db2.gz MGBNTDJKXLILSH-NSHDSACASA-N 0 0 222.287 4.044 10 0 BIAERN CCCCC/C=C\C=C\COC(=O)CC(C)C ZINC000033953310 188157132 /nfs/dbraw/zinc/15/71/32/188157132.db2.gz BFONWEJKMSLMCY-QNRZBPGKSA-N 0 0 238.371 4.268 10 0 BIAERN CC[C@H](C)C(=O)OC/C=C(\C)CCC=C(C)C ZINC000033953643 171256524 /nfs/dbraw/zinc/25/65/24/171256524.db2.gz PEQMAZJTEUEQJP-UELRPHRMSA-N 0 0 238.371 4.268 10 0 endogenous,in-man BIAERN Oc1cc(-c2ccc(Cl)cc2)ccc1Cl ZINC000033986445 183254390 /nfs/dbraw/zinc/25/43/90/183254390.db2.gz YIRDONCMEBQOJP-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN Cc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1 ZINC000034017672 178937446 /nfs/dbraw/zinc/93/74/46/178937446.db2.gz ZNURMGKAMGVZCB-UHFFFAOYSA-N 0 0 247.301 4.020 10 0 BIAERN Cc1nc2cc(SC(C)(C)C)ccc2s1 ZINC000034027995 180083395 /nfs/dbraw/zinc/08/33/95/180083395.db2.gz ALKPCPRKMGCIHY-UHFFFAOYSA-N 0 0 237.393 4.495 10 0 BIAERN Cc1cccc2c(-c3ccc(F)cc3)c[nH]c21 ZINC000034062439 345813356 /nfs/dbraw/zinc/81/33/56/345813356.db2.gz KSRFEOMHHQIBDE-UHFFFAOYSA-N 0 0 225.266 4.282 10 0 BIAERN CCCCCCC(=O)c1ccc(C)cc1 ZINC000034071123 346189192 /nfs/dbraw/zinc/18/91/92/346189192.db2.gz CYZHVLKQVXBTCS-UHFFFAOYSA-N 0 0 204.313 4.148 10 0 BIAERN c1ccc(N2Sc3ccccc3S2)cc1 ZINC000034081521 386201260 /nfs/dbraw/zinc/20/12/60/386201260.db2.gz PXMZASWBVWPIHY-UHFFFAOYSA-N 0 0 231.345 4.221 10 0 BIAERN COc1cc2c(c(C(C)C)c1OC)C[C@@H](C)C=C2 ZINC000034083537 345816303 /nfs/dbraw/zinc/81/63/03/345816303.db2.gz DHDPSMVHMAFRPE-NSHDSACASA-N 0 0 246.350 4.033 10 0 BIAERN COc1cc2c(c(C(C)C)c1OC)C[C@H](C)C=C2 ZINC000034083540 345816400 /nfs/dbraw/zinc/81/64/00/345816400.db2.gz DHDPSMVHMAFRPE-LLVKDONJSA-N 0 0 246.350 4.033 10 0 BIAERN Cc1ccc([C@H](O)c2cccc3ccccc32)cc1 ZINC000034083806 188255152 /nfs/dbraw/zinc/25/51/52/188255152.db2.gz LORGQLQYAZLTMF-SFHVURJKSA-N 0 0 248.325 4.230 10 0 BIAERN Cc1ccc([C@@H](O)c2cccc3ccccc32)cc1 ZINC000034083809 178868523 /nfs/dbraw/zinc/86/85/23/178868523.db2.gz LORGQLQYAZLTMF-GOSISDBHSA-N 0 0 248.325 4.230 10 0 BIAERN Cc1ccc(/C=N/c2ccccc2)c(Cl)c1 ZINC000034087641 345816253 /nfs/dbraw/zinc/81/62/53/345816253.db2.gz WVJQTIMLAGZFGR-MHWRWJLKSA-N 0 0 229.710 4.399 10 0 BIAERN Cc1cc(C)cc(-c2cc(C)cc(C)c2C=O)c1 ZINC000034087646 345816530 /nfs/dbraw/zinc/81/65/30/345816530.db2.gz ZLHUWRLGRVWPHM-UHFFFAOYSA-N 0 0 238.330 4.400 10 0 BIAERN Clc1ccc(-c2ccccc2Cl)cn1 ZINC000034103136 180577506 /nfs/dbraw/zinc/57/75/06/180577506.db2.gz KOWNSOASOPKTMD-UHFFFAOYSA-N 0 0 224.090 4.055 10 0 BIAERN Nc1cccc(OCc2ccc3ccccc3c2)c1 ZINC000034109490 345816943 /nfs/dbraw/zinc/81/69/43/345816943.db2.gz AFWXSXIHXWVDSN-UHFFFAOYSA-N 0 0 249.313 4.001 10 0 BIAERN Cc1ccc2c(c1)[C@H](c1ccccc1)CCC2=O ZINC000034117720 345817641 /nfs/dbraw/zinc/81/76/41/345817641.db2.gz LYAINMIWTNQCIC-AWEZNQCLSA-N 0 0 236.314 4.103 10 0 BIAERN Cc1ccc2c(c1)[C@@H](c1ccccc1)CCC2=O ZINC000034117721 345817902 /nfs/dbraw/zinc/81/79/02/345817902.db2.gz LYAINMIWTNQCIC-CQSZACIVSA-N 0 0 236.314 4.103 10 0 BIAERN CCCC(=O)c1cnc2c(C)cccc2c1Cl ZINC000034118251 345817690 /nfs/dbraw/zinc/81/76/90/345817690.db2.gz RXOVQHSFOZRJPT-UHFFFAOYSA-N 0 0 247.725 4.179 10 0 BIAERN CC(=O)c1ccc2oc(-c3ccccc3)cc2c1 ZINC000034137432 350171479 /nfs/dbraw/zinc/17/14/79/350171479.db2.gz NGCOHFYXQBVSSN-UHFFFAOYSA-N 0 0 236.270 4.302 10 0 BIAERN COc1ccc(-c2[nH]c3ccccc3c2C)cc1 ZINC000034139784 345817820 /nfs/dbraw/zinc/81/78/20/345817820.db2.gz HUODHPNBERMHEP-UHFFFAOYSA-N 0 0 237.302 4.152 10 0 BIAERN COc1ccc2[nH]c(-c3ccccc3)c(C)c2c1 ZINC000034139785 350171515 /nfs/dbraw/zinc/17/15/15/350171515.db2.gz 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Cc1c2ccccc2[nH]c(=S)c1C(C)C ZINC000034203977 345819520 /nfs/dbraw/zinc/81/95/20/345819520.db2.gz HNIJVVONOCUTMM-UHFFFAOYSA-N 0 0 217.337 4.329 10 0 BIAERN Clc1cnc2nc(-c3ccccc3)sc2c1 ZINC000034204294 343266607 /nfs/dbraw/zinc/26/66/07/343266607.db2.gz IGTOEBARDNYYDA-UHFFFAOYSA-N 0 0 246.722 4.012 10 0 BIAERN O=C1CCCC[C@H]1Cc1cccc2ccccc21 ZINC000034213588 343266433 /nfs/dbraw/zinc/26/64/33/343266433.db2.gz FGTXWXTUAZKBII-HNNXBMFYSA-N 0 0 238.330 4.142 10 0 BIAERN O=C1CCCC[C@@H]1Cc1cccc2ccccc21 ZINC000034213589 343266537 /nfs/dbraw/zinc/26/65/37/343266537.db2.gz FGTXWXTUAZKBII-OAHLLOKOSA-N 0 0 238.330 4.142 10 0 BIAERN COc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000034218122 175173483 /nfs/dbraw/zinc/17/34/83/175173483.db2.gz LDSWCHHBUKZOCS-UHFFFAOYSA-N 0 0 234.682 4.141 10 0 BIAERN Cc1ccc2ncc(N)c(-c3ccccc3C)c2c1 ZINC000034218773 345819306 /nfs/dbraw/zinc/81/93/06/345819306.db2.gz NMPZYZTXSDNKMV-UHFFFAOYSA-N 0 0 248.329 4.101 10 0 BIAERN O=c1c2ccccc2ccc2cc(Cl)ccc21 ZINC000034247217 345820445 /nfs/dbraw/zinc/82/04/45/345820445.db2.gz DHJCGWKGSYQFNW-UHFFFAOYSA-N 0 0 240.689 4.007 10 0 BIAERN Cc1ccc2c(c1)Cc1ccccc1S2 ZINC000034252887 350168855 /nfs/dbraw/zinc/16/88/55/350168855.db2.gz ATTLFLQPHSUNBK-UHFFFAOYSA-N 0 0 212.317 4.050 10 0 BIAERN Oc1ccc(-c2ccc3ccccc3c2)cc1F ZINC000034268808 183264082 /nfs/dbraw/zinc/26/40/82/183264082.db2.gz JZAALJHRGIVUQB-UHFFFAOYSA-N 0 0 238.261 4.352 10 0 BIAERN CCCc1ccc(Oc2ccccc2)cc1O ZINC000034279199 517618146 /nfs/dbraw/zinc/61/81/46/517618146.db2.gz SKILNKBKUGPPGI-UHFFFAOYSA-N 0 0 228.291 4.137 10 0 BIAERN CCCCC(=O)c1cccc(C(=O)CCCC)c1 ZINC000034283354 345820745 /nfs/dbraw/zinc/82/07/45/345820745.db2.gz POLFVVRFDCPKTM-UHFFFAOYSA-N 0 0 246.350 4.432 10 0 BIAERN CC(=O)Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000034283900 346242027 /nfs/dbraw/zinc/24/20/27/346242027.db2.gz KEKVDFRIGRPWHT-UHFFFAOYSA-N 0 0 244.721 4.139 10 0 BIAERN O=Cc1c2c(cc3ccccc31)Cc1ccccc1-2 ZINC000034284671 345820818 /nfs/dbraw/zinc/82/08/18/345820818.db2.gz MOWQCWCNZORADL-UHFFFAOYSA-N 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345822053 /nfs/dbraw/zinc/82/20/53/345822053.db2.gz CKURJBSCQJAUFH-UHFFFAOYSA-N 0 0 242.318 4.004 10 0 BIAERN CCCCc1c(C=O)ccc2ccc(OC)cc21 ZINC000034354659 345822231 /nfs/dbraw/zinc/82/22/31/345822231.db2.gz BWZQZUYMUQWOFT-UHFFFAOYSA-N 0 0 242.318 4.004 10 0 BIAERN CCCCc1c(C=O)cc(OC)c2ccccc21 ZINC000034354660 345822188 /nfs/dbraw/zinc/82/21/88/345822188.db2.gz QEZIASQQWIXQQP-UHFFFAOYSA-N 0 0 242.318 4.004 10 0 BIAERN CC(C)(C)c1ccc2c(c1)C=CC(C)(C)O2 ZINC000034354870 345822088 /nfs/dbraw/zinc/82/20/88/345822088.db2.gz OTAKFLZAPUQRIL-UHFFFAOYSA-N 0 0 216.324 4.168 10 0 BIAERN CC1(C)CC(C)(C)c2ccccc2S1 ZINC000034363786 343268456 /nfs/dbraw/zinc/26/84/56/343268456.db2.gz DNUAGQGSSJASDE-UHFFFAOYSA-N 0 0 206.354 4.239 10 0 BIAERN CC(=O)c1ccc2c(c1)C(C)(C)CC(C)(C)S2 ZINC000034363787 345823408 /nfs/dbraw/zinc/82/34/08/345823408.db2.gz FIORXXFAQRJPCL-UHFFFAOYSA-N 0 0 248.391 4.441 10 0 BIAERN CC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000034368620 323938652 /nfs/dbraw/zinc/93/86/52/323938652.db2.gz LUTIDQLOGNSFIC-UHFFFAOYSA-N 0 0 246.693 4.335 10 0 BIAERN Oc1ccc(-c2cc3cc(Cl)ccc3o2)cc1 ZINC000034371348 183263874 /nfs/dbraw/zinc/26/38/74/183263874.db2.gz IZMHRHFIVMPTQG-UHFFFAOYSA-N 0 0 244.677 4.459 10 0 BIAERN CC1(C)CCCC(C)(C)N1OCc1ccccc1 ZINC000034406109 167892319 /nfs/dbraw/zinc/89/23/19/167892319.db2.gz WNJVPVLFSNYCKH-UHFFFAOYSA-N 0 0 247.382 4.161 10 0 BIAERN CC(C)N(c1ccccc1)c1ccccc1 ZINC000034410587 187257456 /nfs/dbraw/zinc/25/74/56/187257456.db2.gz FEQIKDBPUQIQKY-UHFFFAOYSA-N 0 0 211.308 4.233 10 0 BIAERN c1c(CSc2ccccc2)[nH]c2ccccc12 ZINC000034412397 345827035 /nfs/dbraw/zinc/82/70/35/345827035.db2.gz OZCXZQSCHLRTPE-UHFFFAOYSA-N 0 0 239.343 4.460 10 0 BIAERN C(=C/c1ccc2ccccc2c1)\c1ccncc1 ZINC000034412462 166226599 /nfs/dbraw/zinc/22/65/99/166226599.db2.gz AMJBXLDWRBEILA-AATRIKPKSA-N 0 0 231.298 4.405 10 0 BIAERN c1ccc2cc(CCc3ccncc3)ccc2c1 ZINC000034412463 345826653 /nfs/dbraw/zinc/82/66/53/345826653.db2.gz DDGNKJSPPSMFGQ-UHFFFAOYSA-N 0 0 233.314 4.020 10 0 BIAERN Cc1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000034413137 360000211 /nfs/dbraw/zinc/00/02/11/360000211.db2.gz YSAFCQXCCPCUDY-UHFFFAOYSA-N 0 0 237.302 4.055 10 0 BIAERN CCN(c1ccccc1)c1ccc(C)cc1 ZINC000034415636 345975736 /nfs/dbraw/zinc/97/57/36/345975736.db2.gz XYNFAOJSYGSTBC-UHFFFAOYSA-N 0 0 211.308 4.153 10 0 BIAERN CC(C)=CCC/C(C)=C/CCSC(C)=O ZINC000034416439 345828611 /nfs/dbraw/zinc/82/86/11/345828611.db2.gz WDRSAAQCWPCQDC-FMIVXFBMSA-N 0 0 226.385 4.349 10 0 BIAERN O=C(/C=C/C1CCCCCC1)c1ccccc1 ZINC000034416530 345828684 /nfs/dbraw/zinc/82/86/84/345828684.db2.gz XXEFBDMXDDPBAM-OUKQBFOZSA-N 0 0 228.335 4.396 10 0 BIAERN CO/C=C/[C@@H]1c2ccccc2C=C[C@H]1C(C)C ZINC000034416532 345828780 /nfs/dbraw/zinc/82/87/80/345828780.db2.gz IPEZPYCSCFLHRR-BJCHZKIZSA-N 0 0 228.335 4.229 10 0 BIAERN Cc1ccc2c(ccn2-c2ccc(F)cc2)c1 ZINC000034426688 345832907 /nfs/dbraw/zinc/83/29/07/345832907.db2.gz GEWUAWGPFLQOAW-UHFFFAOYSA-N 0 0 225.266 4.078 10 0 BIAERN Fc1cccc(-c2cccc3occc32)c1 ZINC000034431301 537879540 /nfs/dbraw/zinc/87/95/40/537879540.db2.gz YSPMRUSFPKQOIH-UHFFFAOYSA-N 0 0 212.223 4.239 10 0 BIAERN Nc1sc2ccccc2c1-c1ccccc1 ZINC000034431986 345832636 /nfs/dbraw/zinc/83/26/36/345832636.db2.gz XAHXVXXPFMMCBU-UHFFFAOYSA-N 0 0 225.316 4.151 10 0 BIAERN C/C=C/C[C@@H]1C(=O)c2cc(C)ccc2C1(C)C ZINC000034432152 345832691 /nfs/dbraw/zinc/83/26/91/345832691.db2.gz CXLXPIJWAAWWSZ-VBROQKIQSA-N 0 0 228.335 4.051 10 0 BIAERN C/C=C/C[C@H]1C(=O)c2cc(C)ccc2C1(C)C ZINC000034432153 345832941 /nfs/dbraw/zinc/83/29/41/345832941.db2.gz CXLXPIJWAAWWSZ-GJBLVYBDSA-N 0 0 228.335 4.051 10 0 BIAERN Clc1cc(-c2ccc3ccccc3c2)no1 ZINC000034432215 180574076 /nfs/dbraw/zinc/57/40/76/180574076.db2.gz NMZBHQBZRRIJCD-UHFFFAOYSA-N 0 0 229.666 4.148 10 0 BIAERN Cc1cccc2cc3c(nc12)-c1ccccc1C3 ZINC000034432315 345833598 /nfs/dbraw/zinc/83/35/98/345833598.db2.gz APPHDVKVLGMKHU-UHFFFAOYSA-N 0 0 231.298 4.114 10 0 BIAERN CC[C@H](C(=O)c1ccc(C)cc1)c1ccccc1 ZINC000034433508 346282521 /nfs/dbraw/zinc/28/25/21/346282521.db2.gz AJJKBJGECVLVCP-INIZCTEOSA-N 0 0 238.330 4.372 10 0 BIAERN CC[C@@H](C(=O)c1ccc(C)cc1)c1ccccc1 ZINC000034433511 346282505 /nfs/dbraw/zinc/28/25/05/346282505.db2.gz AJJKBJGECVLVCP-MRXNPFEDSA-N 0 0 238.330 4.372 10 0 BIAERN COC=C1CCC(c2c[nH]c3ccccc32)CC1 ZINC000034434107 345833469 /nfs/dbraw/zinc/83/34/69/345833469.db2.gz DZEMXUNULPWOST-UHFFFAOYSA-N 0 0 241.334 4.356 10 0 BIAERN Clc1cc(-c2ccccc2)c2c(n1)CCCC2 ZINC000034435279 346282562 /nfs/dbraw/zinc/28/25/62/346282562.db2.gz HPOIKUGIRMPSJB-UHFFFAOYSA-N 0 0 243.737 4.281 10 0 BIAERN O=Cc1ccccc1-c1cccc2ccccc21 ZINC000034444922 385281916 /nfs/dbraw/zinc/28/19/16/385281916.db2.gz STJQFERWDGKJOK-UHFFFAOYSA-N 0 0 232.282 4.319 10 0 BIAERN Fc1ccc(-c2cccc3occc32)cc1 ZINC000034452252 538954423 /nfs/dbraw/zinc/95/44/23/538954423.db2.gz RMBCVJLFWFKYRN-UHFFFAOYSA-N 0 0 212.223 4.239 10 0 BIAERN Clc1sc(Cl)c2ccccc12 ZINC000034454618 343271273 /nfs/dbraw/zinc/27/12/73/343271273.db2.gz WLWOLJZSKYXOOQ-UHFFFAOYSA-N 0 0 203.093 4.208 10 0 BIAERN 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350469285 /nfs/dbraw/zinc/46/92/85/350469285.db2.gz YGSLELCZTJDZPX-LBPRGKRZSA-N 0 0 203.329 4.020 10 0 BIAERN CC(C)[C@H]1CC(C)(C)Nc2ccccc21 ZINC000034481068 345835271 /nfs/dbraw/zinc/83/52/71/345835271.db2.gz YGSLELCZTJDZPX-GFCCVEGCSA-N 0 0 203.329 4.020 10 0 BIAERN CC(C)(C)c1cc2cc[nH]c2c(Cl)c1 ZINC000034481410 350265433 /nfs/dbraw/zinc/26/54/33/350265433.db2.gz OLEDUMUKIQZSRI-UHFFFAOYSA-N 0 0 207.704 4.119 10 0 BIAERN CC(C)(C)CC(=O)c1ccc2ccccc2c1 ZINC000034482814 346296286 /nfs/dbraw/zinc/29/62/86/346296286.db2.gz YCMCTMFAMQMLLD-UHFFFAOYSA-N 0 0 226.319 4.459 10 0 BIAERN CO/C=C/[C@H]1c2ccccc2C=C[C@@H]1C(C)C ZINC000034482912 345835179 /nfs/dbraw/zinc/83/51/79/345835179.db2.gz IPEZPYCSCFLHRR-HOQKPLRVSA-N 0 0 228.335 4.229 10 0 BIAERN Cc1ccc2nc3c(c(Cl)c2c1)CCCC3 ZINC000034483079 343142518 /nfs/dbraw/zinc/14/25/18/343142518.db2.gz WTHWSNJNZUUKBX-UHFFFAOYSA-N 0 0 231.726 4.075 10 0 BIAERN CCCc1c2cc(C)ccc2cc(OC)c1OC ZINC000034483903 345834996 /nfs/dbraw/zinc/83/49/96/345834996.db2.gz 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Cc1ccc(C)c2c(Cl)c(C)c(C)nc12 ZINC000035064824 343284109 /nfs/dbraw/zinc/28/41/09/343284109.db2.gz RNOWJHDYAQMGRE-UHFFFAOYSA-N 0 0 219.715 4.122 10 0 BIAERN CC(C)c1cccc(-c2ccccc2C=O)c1 ZINC000035077063 645923092 /nfs/dbraw/zinc/92/30/92/645923092.db2.gz KEGMCWIQIQHMOG-UHFFFAOYSA-N 0 0 224.303 4.290 10 0 BIAERN COc1cc2[nH]c(-c3ccccc3)cc2cc1C ZINC000035077189 175018892 /nfs/dbraw/zinc/01/88/92/175018892.db2.gz WERILPCXWJQTSM-UHFFFAOYSA-N 0 0 237.302 4.152 10 0 BIAERN Fc1ccc(Cl)cc1NCCc1ccccc1 ZINC000035083585 180972292 /nfs/dbraw/zinc/97/22/92/180972292.db2.gz JLPGAAZWKZAWMD-UHFFFAOYSA-N 0 0 249.716 4.134 10 0 BIAERN Fc1ccc(Cl)cc1NCC1CCCCC1 ZINC000035083614 180972856 /nfs/dbraw/zinc/97/28/56/180972856.db2.gz YVAVCTYVXJZZKH-UHFFFAOYSA-N 0 0 241.737 4.471 10 0 BIAERN Cc1ccc(-c2cccc(C(F)(F)F)c2)cn1 ZINC000035087316 178327050 /nfs/dbraw/zinc/32/70/50/178327050.db2.gz GZPRWGAUTMEBQE-UHFFFAOYSA-N 0 0 237.224 4.076 10 0 BIAERN CCc1oc(C)c2c1Oc1ccccc1O2 ZINC000035090875 345849318 /nfs/dbraw/zinc/84/93/18/345849318.db2.gz ROBDQYMZWMBFMT-UHFFFAOYSA-N 0 0 216.236 4.048 10 0 BIAERN CCCc1oc(C)c2c1Oc1ccccc1O2 ZINC000035090877 345849348 /nfs/dbraw/zinc/84/93/48/345849348.db2.gz NZJUYDWQOILSJS-UHFFFAOYSA-N 0 0 230.263 4.439 10 0 BIAERN CC(=O)c1ccc2ccccc2c1OCC(C)C ZINC000035099855 383828478 /nfs/dbraw/zinc/82/84/78/383828478.db2.gz RTQGYEZVFSSRET-UHFFFAOYSA-N 0 0 242.318 4.077 10 0 BIAERN Cc1c2cc(C)ccc2oc1C(=O)C(C)(C)C ZINC000035100552 178987315 /nfs/dbraw/zinc/98/73/15/178987315.db2.gz LWTBLDPPCYBIJI-UHFFFAOYSA-N 0 0 230.307 4.278 10 0 BIAERN c1ccn(-c2ccccc2-c2ccccc2)c1 ZINC000035120121 183381056 /nfs/dbraw/zinc/38/10/56/183381056.db2.gz VQMZLPDSCNIZOS-UHFFFAOYSA-N 0 0 219.287 4.144 10 0 BIAERN C[C@H](n1cccc1)C12CC3CC(CC(C3)C1)C2 ZINC000035120235 177056218 /nfs/dbraw/zinc/05/62/18/177056218.db2.gz HAOMOQOYWVUDHQ-AXQFOSQISA-N 0 0 229.367 4.266 10 0 BIAERN C[C@@H](n1cccc1)C12CC3CC(CC(C3)C1)C2 ZINC000035120237 176041644 /nfs/dbraw/zinc/04/16/44/176041644.db2.gz HAOMOQOYWVUDHQ-DYCFOQDWSA-N 0 0 229.367 4.266 10 0 BIAERN Clc1ccc(CCn2cccc2)c(Cl)c1 ZINC000035120251 343285146 /nfs/dbraw/zinc/28/51/46/343285146.db2.gz RGKGCPGGFRNLHT-UHFFFAOYSA-N 0 0 240.133 4.038 10 0 BIAERN C[C@H](Nc1ccc2ccccc2n1)c1ccco1 ZINC000035135123 356704397 /nfs/dbraw/zinc/70/43/97/356704397.db2.gz IOFUMXZWAVVUOL-NSHDSACASA-N 0 0 238.290 4.001 10 0 BIAERN C[C@@H](Nc1ccc2ccccc2n1)c1ccco1 ZINC000035135124 175932500 /nfs/dbraw/zinc/93/25/00/175932500.db2.gz IOFUMXZWAVVUOL-LLVKDONJSA-N 0 0 238.290 4.001 10 0 BIAERN c1ccc(CCNc2ccc3ccccc3c2)cc1 ZINC000035140459 183395363 /nfs/dbraw/zinc/39/53/63/183395363.db2.gz OXBZBPCSIVUJRW-UHFFFAOYSA-N 0 0 247.341 4.494 10 0 BIAERN CCC(C)(C)c1ccc(OCCCC(C)=O)cc1 ZINC000035231937 168305612 /nfs/dbraw/zinc/30/56/12/168305612.db2.gz CVVSMETXEYXZFB-UHFFFAOYSA-N 0 0 248.366 4.122 10 0 BIAERN CC(=O)CCCOc1cc(C)ccc1C(C)(C)C ZINC000035231941 188111215 /nfs/dbraw/zinc/11/12/15/188111215.db2.gz QJCWIZMTPLIRKX-UHFFFAOYSA-N 0 0 248.366 4.041 10 0 BIAERN CCOC(=O)c1cccc(C2=CCCCCC2)c1 ZINC000035259220 345847201 /nfs/dbraw/zinc/84/72/01/345847201.db2.gz DNVYZAKKDVBDJY-UHFFFAOYSA-N 0 0 244.334 4.211 10 0 BIAERN CCOC(=O)c1cccc([C@H]2C=CCCCC2)c1 ZINC000035259225 345847137 /nfs/dbraw/zinc/84/71/37/345847137.db2.gz WLAXFBJGMCRCMU-ZDUSSCGKSA-N 0 0 244.334 4.077 10 0 BIAERN CCOC(=O)c1cccc([C@@H]2C=CCCCC2)c1 ZINC000035259226 345847198 /nfs/dbraw/zinc/84/71/98/345847198.db2.gz WLAXFBJGMCRCMU-CYBMUJFWSA-N 0 0 244.334 4.077 10 0 BIAERN C1=CSC(=C2Sc3c[nH]cc3S2)S1 ZINC000035260079 188271556 /nfs/dbraw/zinc/27/15/56/188271556.db2.gz CBNWESANRIYWBW-UHFFFAOYSA-N 0 0 243.403 4.290 10 0 BIAERN Cc1ccc(Nc2ccc(N)c(C)c2)cc1Cl ZINC000035277886 178191464 /nfs/dbraw/zinc/19/14/64/178191464.db2.gz ACVXQMBWOMCYPX-UHFFFAOYSA-N 0 0 246.741 4.283 10 0 BIAERN Cc1cc(Nc2cccc3ccccc32)ccc1N ZINC000035277891 178194006 /nfs/dbraw/zinc/19/40/06/178194006.db2.gz IIDAJHHIFCALPF-UHFFFAOYSA-N 0 0 248.329 4.474 10 0 BIAERN Cc1cc(Nc2cccc(Cl)c2C)ccc1N ZINC000035277933 178193908 /nfs/dbraw/zinc/19/39/08/178193908.db2.gz CMYFYQHOONAHNL-UHFFFAOYSA-N 0 0 246.741 4.283 10 0 BIAERN CSc1ccc(Nc2ccc(N)c(C)c2)cc1 ZINC000035277956 187258089 /nfs/dbraw/zinc/25/80/89/187258089.db2.gz WEZJLJJDTZRCKH-UHFFFAOYSA-N 0 0 244.363 4.043 10 0 BIAERN Cc1ccc(Cl)cc1Nc1ccc(N)c(C)c1 ZINC000035278135 178191668 /nfs/dbraw/zinc/19/16/68/178191668.db2.gz BAUQRFZCLXJUSU-UHFFFAOYSA-N 0 0 246.741 4.283 10 0 BIAERN Cc1cc(Oc2ccc(Cl)cc2C)ccc1N ZINC000035278363 178214032 /nfs/dbraw/zinc/21/40/32/178214032.db2.gz FSTYAPDDGFBZDL-UHFFFAOYSA-N 0 0 247.725 4.331 10 0 BIAERN Cc1ccc(Sc2ccc(N)c(C)c2)cc1C ZINC000035278590 178830854 /nfs/dbraw/zinc/83/08/54/178830854.db2.gz UBQFPIJCWDOBSB-UHFFFAOYSA-N 0 0 243.375 4.345 10 0 BIAERN Cc1ccc(C)c(Sc2ccc(N)c(C)c2)c1 ZINC000035278608 178495442 /nfs/dbraw/zinc/49/54/42/178495442.db2.gz DSDSEXKCYNMRJL-UHFFFAOYSA-N 0 0 243.375 4.345 10 0 BIAERN CCC[C@@H](C)CNc1cc(Cl)ccc1F ZINC000035284025 169360858 /nfs/dbraw/zinc/36/08/58/169360858.db2.gz KDLQRNCONBRPPZ-SECBINFHSA-N 0 0 229.726 4.327 10 0 BIAERN CCC[C@@H](C)Nc1cc(Cl)ccc1F ZINC000035284108 356474962 /nfs/dbraw/zinc/47/49/62/356474962.db2.gz UGKHIOMWSDMADF-MRVPVSSYSA-N 0 0 215.699 4.080 10 0 BIAERN CCC[C@H](C)Nc1cc(Cl)ccc1F ZINC000035284110 356475058 /nfs/dbraw/zinc/47/50/58/356475058.db2.gz UGKHIOMWSDMADF-QMMMGPOBSA-N 0 0 215.699 4.080 10 0 BIAERN CCC(CC)CNc1cc(Cl)ccc1F ZINC000035284417 168365108 /nfs/dbraw/zinc/36/51/08/168365108.db2.gz NWWBROLBNSLQLV-UHFFFAOYSA-N 0 0 229.726 4.327 10 0 BIAERN c1ccc(-c2cccc3[nH]c4ncccc4c32)cc1 ZINC000035322975 345850037 /nfs/dbraw/zinc/85/00/37/345850037.db2.gz BKPLEKGNOVHRJX-UHFFFAOYSA-N 0 0 244.297 4.383 10 0 BIAERN Cc1cc(C)c(C)c(C(=O)c2ccsc2)c1C ZINC000035368443 177852406 /nfs/dbraw/zinc/85/24/06/177852406.db2.gz LOPYDYHXCQBJQA-UHFFFAOYSA-N 0 0 244.359 4.213 10 0 BIAERN Cc1cc(C)c(C)c(C(=O)c2cccs2)c1C ZINC000035368444 177851731 /nfs/dbraw/zinc/85/17/31/177851731.db2.gz PVSXKFBDCSOSCR-UHFFFAOYSA-N 0 0 244.359 4.213 10 0 BIAERN O=C(c1ccco1)c1ccc(-c2ccccc2)cc1 ZINC000035368587 323350042 /nfs/dbraw/zinc/35/00/42/323350042.db2.gz HAAWFUBFMALZPG-UHFFFAOYSA-N 0 0 248.281 4.178 10 0 BIAERN CC(C)(C)c1ccc(C(=O)c2ccsc2)cc1 ZINC000035368598 187258481 /nfs/dbraw/zinc/25/84/81/187258481.db2.gz QJERTQPWGXBEMY-UHFFFAOYSA-N 0 0 244.359 4.277 10 0 BIAERN CC[C@@H](C)c1ccc(C(=O)c2ccoc2)cc1 ZINC000035368616 170803662 /nfs/dbraw/zinc/80/36/62/170803662.db2.gz FLWWCKDELMYNSU-LLVKDONJSA-N 0 0 228.291 4.024 10 0 BIAERN CC[C@H](C)c1ccc(C(=O)c2ccoc2)cc1 ZINC000035368617 171409506 /nfs/dbraw/zinc/40/95/06/171409506.db2.gz FLWWCKDELMYNSU-NSHDSACASA-N 0 0 228.291 4.024 10 0 BIAERN CC[C@@H](C)c1ccc(C(=O)c2ccsc2)cc1 ZINC000035368622 170803306 /nfs/dbraw/zinc/80/33/06/170803306.db2.gz DZOGXGADKQFLBY-LLVKDONJSA-N 0 0 244.359 4.493 10 0 BIAERN CC[C@H](C)c1ccc(C(=O)c2ccsc2)cc1 ZINC000035368623 171409344 /nfs/dbraw/zinc/40/93/44/171409344.db2.gz DZOGXGADKQFLBY-NSHDSACASA-N 0 0 244.359 4.493 10 0 BIAERN CC[C@@H](C)c1ccc(C(=O)c2cccs2)cc1 ZINC000035368624 170803661 /nfs/dbraw/zinc/80/36/61/170803661.db2.gz JQXCUTLFPZVAQK-LLVKDONJSA-N 0 0 244.359 4.493 10 0 BIAERN CC[C@@H](C)c1ccc(C(=O)c2ccco2)cc1 ZINC000035368626 170803112 /nfs/dbraw/zinc/80/31/12/170803112.db2.gz GXSCKQOSQJXOBS-LLVKDONJSA-N 0 0 228.291 4.024 10 0 BIAERN CCCCc1ccc(C(=O)c2ccsc2)cc1 ZINC000035368642 169020110 /nfs/dbraw/zinc/02/01/10/169020110.db2.gz BHPYSEHHLCJENT-UHFFFAOYSA-N 0 0 244.359 4.322 10 0 BIAERN CCCCc1ccc(C(=O)c2cccs2)cc1 ZINC000035368643 169020364 /nfs/dbraw/zinc/02/03/64/169020364.db2.gz HRJQUCQVTGAZGD-UHFFFAOYSA-N 0 0 244.359 4.322 10 0 BIAERN CCCc1ccc(C(=O)c2ccc(C)s2)cc1 ZINC000035368693 169569728 /nfs/dbraw/zinc/56/97/28/169569728.db2.gz CXQGMQZFYPMFSW-UHFFFAOYSA-N 0 0 244.359 4.240 10 0 BIAERN Cc1ccc(C(=O)c2ccc(Cl)s2)s1 ZINC000035369024 357197302 /nfs/dbraw/zinc/19/73/02/357197302.db2.gz FEKRCYUMLYEKOW-UHFFFAOYSA-N 0 0 242.752 4.002 10 0 BIAERN Cc1ccoc1C(=O)c1csc2ccccc12 ZINC000035369418 179510300 /nfs/dbraw/zinc/51/03/00/179510300.db2.gz ABJVRQCHTXYBCI-UHFFFAOYSA-N 0 0 242.299 4.034 10 0 BIAERN Cc1occc1C(=O)c1csc2ccccc12 ZINC000035369419 180539318 /nfs/dbraw/zinc/53/93/18/180539318.db2.gz FYFQQZDKBGGWDY-UHFFFAOYSA-N 0 0 242.299 4.034 10 0 BIAERN C[C@@H](CCc1ccco1)Nc1ccc(Cl)cc1 ZINC000035451134 175688498 /nfs/dbraw/zinc/68/84/98/175688498.db2.gz CHRMVSSCGRJFEU-NSHDSACASA-N 0 0 249.741 4.366 10 0 BIAERN C[C@@H](CCc1ccco1)Nc1ccccc1Cl ZINC000035451187 175688709 /nfs/dbraw/zinc/68/87/09/175688709.db2.gz PMGDYWKVQFHNKI-NSHDSACASA-N 0 0 249.741 4.366 10 0 BIAERN Cc1cc(C)cc(N[C@@H](C)CCc2ccco2)c1 ZINC000035451230 177910155 /nfs/dbraw/zinc/91/01/55/177910155.db2.gz OHUFNVPMKHBFLI-AWEZNQCLSA-N 0 0 243.350 4.330 10 0 BIAERN Cc1ccc(N[C@@H](C)CCc2ccco2)cc1F ZINC000035451263 178769589 /nfs/dbraw/zinc/76/95/89/178769589.db2.gz DGSSVTDTHIWLDI-LBPRGKRZSA-N 0 0 247.313 4.160 10 0 BIAERN Cc1ccc(N[C@H](C)CCc2ccco2)cc1F ZINC000035451269 178775154 /nfs/dbraw/zinc/77/51/54/178775154.db2.gz DGSSVTDTHIWLDI-GFCCVEGCSA-N 0 0 247.313 4.160 10 0 BIAERN Cc1cc(F)ccc1N[C@@H](C)CCc1ccco1 ZINC000035451303 178090699 /nfs/dbraw/zinc/09/06/99/178090699.db2.gz ABTXZUWKJYEECR-LBPRGKRZSA-N 0 0 247.313 4.160 10 0 BIAERN Cc1cc(F)ccc1N[C@H](C)CCc1ccco1 ZINC000035451307 178091200 /nfs/dbraw/zinc/09/12/00/178091200.db2.gz ABTXZUWKJYEECR-GFCCVEGCSA-N 0 0 247.313 4.160 10 0 BIAERN Cc1cccc(N[C@@H](C)CCc2ccco2)c1C ZINC000035451369 179152807 /nfs/dbraw/zinc/15/28/07/179152807.db2.gz REAZNYMEQAOWFK-ZDUSSCGKSA-N 0 0 243.350 4.330 10 0 BIAERN Cc1cccc(N[C@H](C)CCc2ccco2)c1C ZINC000035451373 179156637 /nfs/dbraw/zinc/15/66/37/179156637.db2.gz REAZNYMEQAOWFK-CYBMUJFWSA-N 0 0 243.350 4.330 10 0 BIAERN Cc1ccc(F)c(N[C@H](C)CCc2ccco2)c1 ZINC000035451918 178677017 /nfs/dbraw/zinc/67/70/17/178677017.db2.gz ZGFZTPCAFQIHMG-GFCCVEGCSA-N 0 0 247.313 4.160 10 0 BIAERN CCC[C@@H](C)[C@H]([NH2+]CC)c1cc(F)ccc1F ZINC000035543527 169373199 /nfs/dbraw/zinc/37/31/99/169373199.db2.gz BBZZJMIWERNTSW-YGRLFVJLSA-N 0 0 241.325 4.052 10 0 BIAERN CCC[C@@H](C)[C@H]([NH2+]CC)c1ccc(F)cc1F ZINC000035547369 169373153 /nfs/dbraw/zinc/37/31/53/169373153.db2.gz NXNKHYKQJUFKQA-YGRLFVJLSA-N 0 0 241.325 4.052 10 0 BIAERN CC[C@@H](c1cc(C)ccc1O)C1=CCCC=C1 ZINC000035569910 383859924 /nfs/dbraw/zinc/85/99/24/383859924.db2.gz OWJQQFPCMHZNQN-CQSZACIVSA-N 0 0 228.335 4.471 10 0 BIAERN CC[C@H](c1cc(C)ccc1O)C1=CCCC=C1 ZINC000035569912 383859484 /nfs/dbraw/zinc/85/94/84/383859484.db2.gz OWJQQFPCMHZNQN-AWEZNQCLSA-N 0 0 228.335 4.471 10 0 BIAERN S=c1nc(-c2ccccc2)[nH]c2sccc21 ZINC000035576350 358003758 /nfs/dbraw/zinc/00/37/58/358003758.db2.gz NKTBPPVBKAYLPU-UHFFFAOYSA-N 0 0 244.344 4.021 10 0 BIAERN CCCCOc1c2ccccc2ccc1[C@@H](C)O ZINC000035627931 168915685 /nfs/dbraw/zinc/91/56/85/168915685.db2.gz QCEHWSRHWOLPSP-GFCCVEGCSA-N 0 0 244.334 4.072 10 0 BIAERN C[C@H](O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000035632206 177017374 /nfs/dbraw/zinc/01/73/74/177017374.db2.gz RJQIEWQHISGCRO-JTQLQIEISA-N 0 0 248.709 4.186 10 0 BIAERN C[C@H](O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000035632216 177017613 /nfs/dbraw/zinc/01/76/13/177017613.db2.gz MKBYWYNDOQBZOG-JTQLQIEISA-N 0 0 248.709 4.186 10 0 BIAERN C[C@H](O)c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000035632318 177017269 /nfs/dbraw/zinc/01/72/69/177017269.db2.gz HOGHOAMOXFPJFV-JTQLQIEISA-N 0 0 248.709 4.186 10 0 BIAERN CC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000035635749 190986766 /nfs/dbraw/zinc/98/67/66/190986766.db2.gz HPHDIGRPTJQBIS-HNNXBMFYSA-N 0 0 244.721 4.061 10 0 BIAERN CC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000035635751 188111946 /nfs/dbraw/zinc/11/19/46/188111946.db2.gz HPHDIGRPTJQBIS-OAHLLOKOSA-N 0 0 244.721 4.061 10 0 BIAERN C=C(c1ccccc1)c1ccc2ncsc2c1 ZINC000035635936 343300930 /nfs/dbraw/zinc/30/09/30/343300930.db2.gz CICCVJMXJNONFA-UHFFFAOYSA-N 0 0 237.327 4.358 10 0 BIAERN CO[C@H](C)C/C=C1\C(C)=CCCC1(C)C ZINC000035645021 387381653 /nfs/dbraw/zinc/38/16/53/387381653.db2.gz UJJLMWKISWEECA-AUWXEVLLSA-N 0 0 208.345 4.104 10 0 in-vitro BIAERN CO[C@@H](C)C/C=C1\C(C)=CCCC1(C)C ZINC000035645024 174682661 /nfs/dbraw/zinc/68/26/61/174682661.db2.gz UJJLMWKISWEECA-OQZOHAQUSA-N 0 0 208.345 4.104 10 0 in-vitro BIAERN CC[C@@H]1CCCC[C@@H]1OCc1cccc(N)c1C ZINC000035649400 170968361 /nfs/dbraw/zinc/96/83/61/170968361.db2.gz KSCFYGPLGMFSAE-CJNGLKHVSA-N 0 0 247.382 4.063 10 0 BIAERN Cc1ccc(SCc2cccc(N)c2C)cc1 ZINC000035649512 187258464 /nfs/dbraw/zinc/25/84/64/187258464.db2.gz JGOJTHWRKCOHNI-UHFFFAOYSA-N 0 0 243.375 4.178 10 0 BIAERN C[C@H](O)c1ccccc1Oc1ccccc1Cl ZINC000035650671 177018100 /nfs/dbraw/zinc/01/81/00/177018100.db2.gz FMIXBIDMHJZIRW-JTQLQIEISA-N 0 0 248.709 4.186 10 0 BIAERN C[C@@H](O)c1ccccc1Oc1ccccc1Cl ZINC000035650672 176000277 /nfs/dbraw/zinc/00/02/77/176000277.db2.gz FMIXBIDMHJZIRW-SNVBAGLBSA-N 0 0 248.709 4.186 10 0 BIAERN C[C@H](O)c1ccccc1Oc1ccc(Cl)cc1 ZINC000035650673 177017887 /nfs/dbraw/zinc/01/78/87/177017887.db2.gz FJRLGGNJBSECGF-JTQLQIEISA-N 0 0 248.709 4.186 10 0 BIAERN C[C@H](O)c1ccccc1Oc1cccc(Cl)c1 ZINC000035650693 177018186 /nfs/dbraw/zinc/01/81/86/177018186.db2.gz LJJLLGDWMWNQKE-JTQLQIEISA-N 0 0 248.709 4.186 10 0 BIAERN C[C@@H](O)c1ccccc1Oc1cccc(Cl)c1 ZINC000035650694 176000168 /nfs/dbraw/zinc/00/01/68/176000168.db2.gz LJJLLGDWMWNQKE-SNVBAGLBSA-N 0 0 248.709 4.186 10 0 BIAERN CC(C)c1ccccc1NC1CCSCC1 ZINC000035651908 387576616 /nfs/dbraw/zinc/57/66/16/387576616.db2.gz VTJKMJBBHDUGQZ-UHFFFAOYSA-N 0 0 235.396 4.118 10 0 BIAERN CC1CCC(Nc2nccc3sccc32)CC1 ZINC000035687743 168166078 /nfs/dbraw/zinc/16/60/78/168166078.db2.gz SWOOAKOHQILABO-UHFFFAOYSA-N 0 0 246.379 4.287 10 0 BIAERN CC(C)Cn1nc(C(C)(C)C)cc1C(C)(C)C ZINC000035728256 187595500 /nfs/dbraw/zinc/59/55/00/187595500.db2.gz KMFBMBBRCAKZKP-UHFFFAOYSA-N 0 0 236.403 4.134 10 0 BIAERN CC(C)c1cccc2c(Cl)ccnc21 ZINC000035731086 358917772 /nfs/dbraw/zinc/91/77/72/358917772.db2.gz BTHPVLAXFLLEMM-UHFFFAOYSA-N 0 0 205.688 4.012 10 0 BIAERN C[C@@H](C1CC1)n1c(-c2ccccc2)c[nH]c1=S ZINC000035734126 175634599 /nfs/dbraw/zinc/63/45/99/175634599.db2.gz 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CCCNc1ccc(C(F)(F)F)cc1Cl ZINC000037047700 188279736 /nfs/dbraw/zinc/27/97/36/188279736.db2.gz NSMFKHSGSYKUBD-UHFFFAOYSA-N 0 0 237.652 4.181 10 0 BIAERN CCC[C@@H](C)CNc1ccc(Cl)cc1F ZINC000037056218 169361189 /nfs/dbraw/zinc/36/11/89/169361189.db2.gz MDZQRYIUEAMOKE-SECBINFHSA-N 0 0 229.726 4.327 10 0 BIAERN CCC(CC)CNc1ccc(Cl)cc1F ZINC000037056382 168365102 /nfs/dbraw/zinc/36/51/02/168365102.db2.gz LZBPOEOQIBXHDN-UHFFFAOYSA-N 0 0 229.726 4.327 10 0 BIAERN c1ccc(-c2ccc(NCC3CC3)cc2)cc1 ZINC000037057025 183379468 /nfs/dbraw/zinc/37/94/68/183379468.db2.gz XPCKZOIFISPJPN-UHFFFAOYSA-N 0 0 223.319 4.176 10 0 BIAERN CCCNc1ccc(-c2ccccc2)cc1 ZINC000037057032 169294209 /nfs/dbraw/zinc/29/42/09/169294209.db2.gz IWCQFZYODOHTAB-UHFFFAOYSA-N 0 0 211.308 4.176 10 0 BIAERN CCCNc1ccc(SC(F)(F)F)cc1 ZINC000037068023 169294712 /nfs/dbraw/zinc/29/47/12/169294712.db2.gz UFOBNDVHDUGOQS-UHFFFAOYSA-N 0 0 235.274 4.120 10 0 BIAERN CCC[C@@H](C)CNc1ccc(Cl)c(F)c1 ZINC000037069750 169360940 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179192326 /nfs/dbraw/zinc/19/23/26/179192326.db2.gz WBDDIGORNMYSQT-RDJZCZTQSA-N 0 0 246.394 4.419 10 0 BIAERN Cc1cccc(C[C@]2(O)C[C@H](C)CC(C)(C)C2)c1 ZINC000037529921 179106811 /nfs/dbraw/zinc/10/68/11/179106811.db2.gz IJAPLAZTCKNLGN-RHSMWYFYSA-N 0 0 246.394 4.115 10 0 BIAERN Cc1cccc(C[C@@]2(O)C[C@H](C)CC(C)(C)C2)c1 ZINC000037529922 179104856 /nfs/dbraw/zinc/10/48/56/179104856.db2.gz IJAPLAZTCKNLGN-PBHICJAKSA-N 0 0 246.394 4.115 10 0 BIAERN Cc1cccc(C[C@]2(O)C[C@@H](C)CC(C)(C)C2)c1 ZINC000037529923 179106753 /nfs/dbraw/zinc/10/67/53/179106753.db2.gz IJAPLAZTCKNLGN-WMLDXEAASA-N 0 0 246.394 4.115 10 0 BIAERN Cc1cccc(C[C@@]2(O)C[C@@H](C)CC(C)(C)C2)c1 ZINC000037529924 179104364 /nfs/dbraw/zinc/10/43/64/179104364.db2.gz IJAPLAZTCKNLGN-YOEHRIQHSA-N 0 0 246.394 4.115 10 0 BIAERN Cc1ccc(C(=O)Cc2cccc(Cl)c2)cc1 ZINC000037531883 178374118 /nfs/dbraw/zinc/37/41/18/178374118.db2.gz ZAPIYQCWOKBAER-UHFFFAOYSA-N 0 0 244.721 4.074 10 0 BIAERN Cc1cccc(CC(=O)c2cccc(Cl)c2)c1 ZINC000037531895 179052111 /nfs/dbraw/zinc/05/21/11/179052111.db2.gz RDVXDUHZHCFMQR-UHFFFAOYSA-N 0 0 244.721 4.074 10 0 BIAERN Cc1ccccc1CC(=O)c1cccc(Cl)c1 ZINC000037531896 179260298 /nfs/dbraw/zinc/26/02/98/179260298.db2.gz YEFHJBNIXVIUSB-UHFFFAOYSA-N 0 0 244.721 4.074 10 0 BIAERN CC(C)c1ccc([C@H](O)c2ccc(F)cc2)cc1 ZINC000037532402 344549615 /nfs/dbraw/zinc/54/96/15/344549615.db2.gz WIKWUDWJBLHYLW-INIZCTEOSA-N 0 0 244.309 4.031 10 0 BIAERN CC(C)c1ccc([C@@H](O)c2ccc(F)cc2)cc1 ZINC000037532403 344549555 /nfs/dbraw/zinc/54/95/55/344549555.db2.gz WIKWUDWJBLHYLW-MRXNPFEDSA-N 0 0 244.309 4.031 10 0 BIAERN Cc1cccc([C@H](O)c2ccc(C(C)C)cc2)c1 ZINC000037532412 179201814 /nfs/dbraw/zinc/20/18/14/179201814.db2.gz XHNMCGVATKCLNC-QGZVFWFLSA-N 0 0 240.346 4.200 10 0 BIAERN Cc1cccc([C@@H](O)c2ccc(C(C)C)cc2)c1 ZINC000037532413 179187724 /nfs/dbraw/zinc/18/77/24/179187724.db2.gz XHNMCGVATKCLNC-KRWDZBQOSA-N 0 0 240.346 4.200 10 0 BIAERN CC(C)c1ccc([C@H](O)c2cccc(F)c2)cc1 ZINC000037532420 344549413 /nfs/dbraw/zinc/54/94/13/344549413.db2.gz AXYUTFPLBPZYSW-INIZCTEOSA-N 0 0 244.309 4.031 10 0 BIAERN CC(C)c1ccc([C@@H](O)c2cccc(F)c2)cc1 ZINC000037532421 344549765 /nfs/dbraw/zinc/54/97/65/344549765.db2.gz AXYUTFPLBPZYSW-MRXNPFEDSA-N 0 0 244.309 4.031 10 0 BIAERN Cc1ccccc1[C@H](O)c1ccc(C(C)C)cc1 ZINC000037532426 179344866 /nfs/dbraw/zinc/34/48/66/179344866.db2.gz ARSFAKSPGXCTGM-QGZVFWFLSA-N 0 0 240.346 4.200 10 0 BIAERN Cc1ccccc1[C@@H](O)c1ccc(C(C)C)cc1 ZINC000037532427 179326855 /nfs/dbraw/zinc/32/68/55/179326855.db2.gz ARSFAKSPGXCTGM-KRWDZBQOSA-N 0 0 240.346 4.200 10 0 BIAERN CC(C)=CCSc1ccc(Cl)cc1 ZINC000037594062 343348748 /nfs/dbraw/zinc/34/87/48/343348748.db2.gz UYLXNFLIVPSLEL-UHFFFAOYSA-N 0 0 212.745 4.398 10 0 BIAERN CC1=C[C@H](c2c[nH]c3ccccc32)CCC1 ZINC000037625269 168132354 /nfs/dbraw/zinc/13/23/54/168132354.db2.gz DGKXEUVIORHPTM-GFCCVEGCSA-N 0 0 211.308 4.382 10 0 BIAERN CC1=C[C@@H](c2c[nH]c3ccccc32)CCC1 ZINC000037625270 168124666 /nfs/dbraw/zinc/12/46/66/168124666.db2.gz 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CC(C)S[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000037687582 364517029 /nfs/dbraw/zinc/51/70/29/364517029.db2.gz SPOBBHMSKWHYLP-SECBINFHSA-N 0 0 242.771 4.053 10 0 BIAERN CC(C)S[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037687583 364517060 /nfs/dbraw/zinc/51/70/60/364517060.db2.gz PZNSDPLYXKUGFM-VIFPVBQESA-N 0 0 242.771 4.053 10 0 BIAERN CC(C)S[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000037687584 364517014 /nfs/dbraw/zinc/51/70/14/364517014.db2.gz PZNSDPLYXKUGFM-SECBINFHSA-N 0 0 242.771 4.053 10 0 BIAERN CC(C)Oc1ccc(NCCC(C)(C)C)cc1 ZINC000037731379 167298011 /nfs/dbraw/zinc/29/80/11/167298011.db2.gz DLQUOCQVWMNZEN-UHFFFAOYSA-N 0 0 235.371 4.322 10 0 BIAERN CC(C)COCc1cc2ccccc2nc1Cl ZINC000037758372 188115038 /nfs/dbraw/zinc/11/50/38/188115038.db2.gz NDTIIBZLEPBCCF-UHFFFAOYSA-N 0 0 249.741 4.061 10 0 BIAERN CCCCOCc1cc2ccccc2nc1Cl ZINC000037758397 188114871 /nfs/dbraw/zinc/11/48/71/188114871.db2.gz XYHAMIUFAVAVPA-UHFFFAOYSA-N 0 0 249.741 4.205 10 0 BIAERN CC[C@@H](C)OCc1cc2ccccc2nc1Cl ZINC000037758399 170765981 /nfs/dbraw/zinc/76/59/81/170765981.db2.gz XRCCZOGACOCOAS-SNVBAGLBSA-N 0 0 249.741 4.203 10 0 BIAERN CC[C@H](C)OCc1cc2ccccc2nc1Cl ZINC000037758400 171355692 /nfs/dbraw/zinc/35/56/92/171355692.db2.gz XRCCZOGACOCOAS-JTQLQIEISA-N 0 0 249.741 4.203 10 0 BIAERN Cc1cc(C)c(N[C@@H](C)c2ccncc2)c(C)c1 ZINC000037763561 177867605 /nfs/dbraw/zinc/86/76/05/177867605.db2.gz JQBCYHPRHCMNEG-AWEZNQCLSA-N 0 0 240.350 4.180 10 0 BIAERN COC(C)(C)C[C@H](C)Nc1c(C)cc(C)cc1C ZINC000037763695 173948286 /nfs/dbraw/zinc/94/82/86/173948286.db2.gz BQFZQJOEAMQZSY-AWEZNQCLSA-N 0 0 249.398 4.227 10 0 BIAERN COC(C)(C)C[C@@H](C)Nc1c(C)cc(C)cc1C ZINC000037763696 173947029 /nfs/dbraw/zinc/94/70/29/173947029.db2.gz BQFZQJOEAMQZSY-CQSZACIVSA-N 0 0 249.398 4.227 10 0 BIAERN CCc1cccc(C)c1N[C@H](C)c1cccnc1 ZINC000037763778 171854776 /nfs/dbraw/zinc/85/47/76/171854776.db2.gz AURRIOFPCKBJIO-CYBMUJFWSA-N 0 0 240.350 4.126 10 0 BIAERN CCc1cccc(C)c1NCc1cccs1 ZINC000037763792 171854726 /nfs/dbraw/zinc/85/47/26/171854726.db2.gz MRELDIDAQKAWGE-UHFFFAOYSA-N 0 0 231.364 4.231 10 0 BIAERN CCc1cccc(C)c1N[C@@H](C)c1ccccn1 ZINC000037763804 171854571 /nfs/dbraw/zinc/85/45/71/171854571.db2.gz KAAKQUWUJFWBGI-ZDUSSCGKSA-N 0 0 240.350 4.126 10 0 BIAERN CCc1cccc(C)c1NCc1ccc(Cl)o1 ZINC000037763919 171854286 /nfs/dbraw/zinc/85/42/86/171854286.db2.gz NUINRUGOSPRICE-UHFFFAOYSA-N 0 0 249.741 4.416 10 0 BIAERN CCc1cccc(C)c1N[C@H](C)CC(C)(C)OC ZINC000037763927 171854272 /nfs/dbraw/zinc/85/42/72/171854272.db2.gz MPNDXYTWURDWIT-CYBMUJFWSA-N 0 0 249.398 4.173 10 0 BIAERN C[C@@H](Nc1ccc(-c2nccs2)cc1)C1CC1 ZINC000037765032 188114800 /nfs/dbraw/zinc/11/48/00/188114800.db2.gz BXGQEXYLPYSOLQ-SNVBAGLBSA-N 0 0 244.363 4.021 10 0 BIAERN CC(C)[C@@H](C)Nc1ccc(-c2nccs2)cc1 ZINC000037765317 167386071 /nfs/dbraw/zinc/38/60/71/167386071.db2.gz GNFIYLZYLIKZOC-LLVKDONJSA-N 0 0 246.379 4.267 10 0 BIAERN CC(C)[C@H](C)Nc1ccc(-c2nccs2)cc1 ZINC000037765318 187260106 /nfs/dbraw/zinc/26/01/06/187260106.db2.gz GNFIYLZYLIKZOC-NSHDSACASA-N 0 0 246.379 4.267 10 0 BIAERN CCC[C@@H](C)Nc1ccc(-c2nccs2)cc1 ZINC000037765579 169371704 /nfs/dbraw/zinc/37/17/04/169371704.db2.gz RGRGTUUMGLBQGD-LLVKDONJSA-N 0 0 246.379 4.411 10 0 BIAERN C[C@H](Nc1ccc(Cl)c2cccnc12)C1CC1 ZINC000037767036 188288161 /nfs/dbraw/zinc/28/81/61/188288161.db2.gz QTSUWNQEYZNQRH-VIFPVBQESA-N 0 0 246.741 4.099 10 0 BIAERN CC(C)[C@@H](C)Nc1ccc(Cl)c2cccnc12 ZINC000037767241 167385305 /nfs/dbraw/zinc/38/53/05/167385305.db2.gz AALFKVHOSOBBAN-SNVBAGLBSA-N 0 0 248.757 4.345 10 0 BIAERN CCC(CC)Nc1ccc(Cl)c2cccnc12 ZINC000037767270 168394187 /nfs/dbraw/zinc/39/41/87/168394187.db2.gz JYYMELMYNNTLKC-UHFFFAOYSA-N 0 0 248.757 4.489 10 0 BIAERN Clc1ccc(NC2CCCC2)c2ncccc12 ZINC000037767283 180583152 /nfs/dbraw/zinc/58/31/52/180583152.db2.gz JRBAYZXQJGSSJS-UHFFFAOYSA-N 0 0 246.741 4.243 10 0 BIAERN CCC[C@@H](C)Nc1ccc(Cl)c2cccnc12 ZINC000037767399 169371297 /nfs/dbraw/zinc/37/12/97/169371297.db2.gz AUMBWHLXICEXFD-SNVBAGLBSA-N 0 0 248.757 4.489 10 0 BIAERN CCC[C@H](C)Nc1ccc(Cl)c2cccnc12 ZINC000037767400 169494252 /nfs/dbraw/zinc/49/42/52/169494252.db2.gz AUMBWHLXICEXFD-JTQLQIEISA-N 0 0 248.757 4.489 10 0 BIAERN c1cc(NC2CCCCC2)cc(N2CCCC2)c1 ZINC000037775115 183357263 /nfs/dbraw/zinc/35/72/63/183357263.db2.gz VBQQQYUJKMOAPN-UHFFFAOYSA-N 0 0 244.382 4.031 10 0 BIAERN CC[C@H](Nc1cccc(N2CCCC2)c1)C(C)C ZINC000037775141 171552174 /nfs/dbraw/zinc/55/21/74/171552174.db2.gz YIXNQRKOZWNDCY-INIZCTEOSA-N 0 0 246.398 4.133 10 0 BIAERN CC[C@H](C)[C@@H](C)Nc1cccc(N2CCCC2)c1 ZINC000037775222 171367519 /nfs/dbraw/zinc/36/75/19/171367519.db2.gz INJDZIPSUYXCFY-UONOGXRCSA-N 0 0 246.398 4.133 10 0 BIAERN CC[C@H](C)[C@H](C)Nc1cccc(N2CCCC2)c1 ZINC000037775224 171391203 /nfs/dbraw/zinc/39/12/03/171391203.db2.gz INJDZIPSUYXCFY-KBPBESRZSA-N 0 0 246.398 4.133 10 0 BIAERN CC(C)COc1cccc(N[C@H](C)C(C)C)c1 ZINC000037775743 188115287 /nfs/dbraw/zinc/11/52/87/188115287.db2.gz BGVUQGLRBSODKG-CYBMUJFWSA-N 0 0 235.371 4.178 10 0 BIAERN CCC[C@@H](C)Nc1ccc(OC(F)F)c(F)c1 ZINC000037776579 169372478 /nfs/dbraw/zinc/37/24/78/169372478.db2.gz RGYCTPBDAYUONP-MRVPVSSYSA-N 0 0 247.260 4.028 10 0 BIAERN CCCOc1cc(C)ccc1NC1CCCC1 ZINC000037778169 169314518 /nfs/dbraw/zinc/31/45/18/169314518.db2.gz NCKZKRIIZSYJGN-UHFFFAOYSA-N 0 0 233.355 4.138 10 0 BIAERN c1ncc(-c2cccc(NC3CCCCC3)c2)o1 ZINC000037779568 183357826 /nfs/dbraw/zinc/35/78/26/183357826.db2.gz OALKPIUUKUELGQ-UHFFFAOYSA-N 0 0 242.322 4.086 10 0 BIAERN CC(C)COc1ccccc1N[C@@H](C)C(C)C ZINC000037780032 188287977 /nfs/dbraw/zinc/28/79/77/188287977.db2.gz DFQACGHALDJQHC-ZDUSSCGKSA-N 0 0 235.371 4.178 10 0 BIAERN CC(C)COc1ccccc1NC1CCCC1 ZINC000037780042 188114770 /nfs/dbraw/zinc/11/47/70/188114770.db2.gz FUQNTAHEKWOBOW-UHFFFAOYSA-N 0 0 233.355 4.076 10 0 BIAERN CCOc1cccc(NC2CCC(C)CC2)c1 ZINC000037780261 170581943 /nfs/dbraw/zinc/58/19/43/170581943.db2.gz VSMSJBAXRHUJLA-UHFFFAOYSA-N 0 0 233.355 4.076 10 0 BIAERN CCOc1cccc(N[C@@H]2CCCC[C@H]2C)c1 ZINC000037780272 170582485 /nfs/dbraw/zinc/58/24/85/170582485.db2.gz RTCWGNFSKGKFEB-IUODEOHRSA-N 0 0 233.355 4.076 10 0 BIAERN CCOc1cccc(N[C@H]2CCC[C@H](C)C2)c1 ZINC000037780275 170582656 /nfs/dbraw/zinc/58/26/56/170582656.db2.gz SQIZCTYTOYGRLR-STQMWFEESA-N 0 0 233.355 4.076 10 0 BIAERN Cc1cc(OC(C)C)ccc1N[C@@H](C)C(C)C ZINC000037780610 178207952 /nfs/dbraw/zinc/20/79/52/178207952.db2.gz MZRPLZZUHWKBNR-ZDUSSCGKSA-N 0 0 235.371 4.239 10 0 BIAERN Cc1cc(OC(C)C)ccc1N[C@H](C)C(C)C ZINC000037780611 178208809 /nfs/dbraw/zinc/20/88/09/178208809.db2.gz MZRPLZZUHWKBNR-CYBMUJFWSA-N 0 0 235.371 4.239 10 0 BIAERN CCC(CC)Nc1ccc(OC(C)C)cc1C ZINC000037780620 168393982 /nfs/dbraw/zinc/39/39/82/168393982.db2.gz UNEUKXVDJIKSPI-UHFFFAOYSA-N 0 0 235.371 4.383 10 0 BIAERN Cc1cc(OC(C)C)ccc1NC1CCCC1 ZINC000037780626 178208822 /nfs/dbraw/zinc/20/88/22/178208822.db2.gz HRILDPRARCEXNU-UHFFFAOYSA-N 0 0 233.355 4.137 10 0 BIAERN CCC[C@@H](C)Nc1ccc(OC(C)C)cc1C ZINC000037780656 169372275 /nfs/dbraw/zinc/37/22/75/169372275.db2.gz INGPNAOQDCEQAG-CYBMUJFWSA-N 0 0 235.371 4.383 10 0 BIAERN CCC[C@H](C)Nc1ccc(OC(C)C)cc1C ZINC000037780657 169494391 /nfs/dbraw/zinc/49/43/91/169494391.db2.gz INGPNAOQDCEQAG-ZDUSSCGKSA-N 0 0 235.371 4.383 10 0 BIAERN Cc1cc(OC(C)C)ccc1N[C@@H](C)C1(C)CC1 ZINC000037780704 178208090 /nfs/dbraw/zinc/20/80/90/178208090.db2.gz JQJGVTOLRQQFNE-ZDUSSCGKSA-N 0 0 247.382 4.383 10 0 BIAERN Cc1cc(OC(C)C)ccc1N[C@H](C)C1(C)CC1 ZINC000037780705 178208898 /nfs/dbraw/zinc/20/88/98/178208898.db2.gz JQJGVTOLRQQFNE-CYBMUJFWSA-N 0 0 247.382 4.383 10 0 BIAERN c1[nH]nc2cccc(NC3CCCCCCC3)c12 ZINC000037783812 183357300 /nfs/dbraw/zinc/35/73/00/183357300.db2.gz GZVONBMTVZVQHF-UHFFFAOYSA-N 0 0 243.354 4.088 10 0 BIAERN CCc1nc2cc(N[C@@H](C)CC(C)C)ccc2o1 ZINC000037786012 172011894 /nfs/dbraw/zinc/01/18/94/172011894.db2.gz DJNYZNNEPRIJEI-NSHDSACASA-N 0 0 246.354 4.237 10 0 BIAERN CCc1nc2cc(N[C@H](C)CC(C)C)ccc2o1 ZINC000037786013 172012388 /nfs/dbraw/zinc/01/23/88/172012388.db2.gz DJNYZNNEPRIJEI-LLVKDONJSA-N 0 0 246.354 4.237 10 0 BIAERN CCc1nc2cc(NCC(CC)CC)ccc2o1 ZINC000037786059 172012691 /nfs/dbraw/zinc/01/26/91/172012691.db2.gz HSOVNLPUTFZYTL-UHFFFAOYSA-N 0 0 246.354 4.238 10 0 BIAERN CCCC[C@H](C)Nc1ccc2oc(CC)nc2c1 ZINC000037786097 168992476 /nfs/dbraw/zinc/99/24/76/168992476.db2.gz QJIFMMUYKBBNPQ-NSHDSACASA-N 0 0 246.354 4.381 10 0 BIAERN CCc1nc2cc(N[C@@H](CC)C(C)C)ccc2o1 ZINC000037786098 172012296 /nfs/dbraw/zinc/01/22/96/172012296.db2.gz WWISMBQUFRFYMN-LBPRGKRZSA-N 0 0 246.354 4.237 10 0 BIAERN CCc1nc2cc(N[C@H](CC)C(C)C)ccc2o1 ZINC000037786099 172012411 /nfs/dbraw/zinc/01/24/11/172012411.db2.gz WWISMBQUFRFYMN-GFCCVEGCSA-N 0 0 246.354 4.237 10 0 BIAERN CCC[C@@H](C)CNc1ccc2oc(CC)nc2c1 ZINC000037786170 169360795 /nfs/dbraw/zinc/36/07/95/169360795.db2.gz IMVUFRCSWJHESE-LLVKDONJSA-N 0 0 246.354 4.238 10 0 BIAERN CCc1nc2cc(N[C@@H](C)[C@@H](C)CC)ccc2o1 ZINC000037786173 172011926 /nfs/dbraw/zinc/01/19/26/172011926.db2.gz DWUOIPGHVGBTMS-QWRGUYRKSA-N 0 0 246.354 4.237 10 0 BIAERN CCc1nc2cc(N[C@H](C)[C@@H](C)CC)ccc2o1 ZINC000037786174 172011805 /nfs/dbraw/zinc/01/18/05/172011805.db2.gz DWUOIPGHVGBTMS-WDEREUQCSA-N 0 0 246.354 4.237 10 0 BIAERN CCc1nc2cc(N[C@@H](C)[C@H](C)CC)ccc2o1 ZINC000037786175 172012731 /nfs/dbraw/zinc/01/27/31/172012731.db2.gz DWUOIPGHVGBTMS-MNOVXSKESA-N 0 0 246.354 4.237 10 0 BIAERN CCc1nc2cc(N[C@H](C)[C@H](C)CC)ccc2o1 ZINC000037786176 172011419 /nfs/dbraw/zinc/01/14/19/172011419.db2.gz DWUOIPGHVGBTMS-GHMZBOCLSA-N 0 0 246.354 4.237 10 0 BIAERN Cc1nn(C(C)C)c(C)c1NC1CCC(C)CC1 ZINC000037787435 187597525 /nfs/dbraw/zinc/59/75/25/187597525.db2.gz RFURIQYQRSRRAL-UHFFFAOYSA-N 0 0 249.402 4.071 10 0 BIAERN Cc1nn(C(C)C)c(C)c1NC1CCCCCC1 ZINC000037787436 188288356 /nfs/dbraw/zinc/28/83/56/188288356.db2.gz JDZIGRLMOQQMDE-UHFFFAOYSA-N 0 0 249.402 4.216 10 0 BIAERN Cc1nn(C(C)C)c(C)c1N[C@H]1CCCC[C@@H]1C ZINC000037787447 188114859 /nfs/dbraw/zinc/11/48/59/188114859.db2.gz FINCJYHWQDSIOM-FZMZJTMJSA-N 0 0 249.402 4.071 10 0 BIAERN Cc1nn(C(C)C)c(C)c1N[C@@H]1CCC[C@H](C)C1 ZINC000037787450 188114985 /nfs/dbraw/zinc/11/49/85/188114985.db2.gz LIZFRXWNSINLNH-SMDDNHRTSA-N 0 0 249.402 4.071 10 0 BIAERN Cc1nn(C(C)C)c(C)c1N[C@@H]1CCC[C@@H](C)C1 ZINC000037787452 187424331 /nfs/dbraw/zinc/42/43/31/187424331.db2.gz LIZFRXWNSINLNH-BXUZGUMPSA-N 0 0 249.402 4.071 10 0 BIAERN Cc1nn(C(C)C)c(C)c1N[C@H]1CCC[C@@H](C)C1 ZINC000037787453 188114421 /nfs/dbraw/zinc/11/44/21/188114421.db2.gz LIZFRXWNSINLNH-RISCZKNCSA-N 0 0 249.402 4.071 10 0 BIAERN CCCC[C@H](C)Nc1c(C)nn(C(C)C)c1C ZINC000037787550 168992333 /nfs/dbraw/zinc/99/23/33/168992333.db2.gz ISYVRCLVAZGPAC-NSHDSACASA-N 0 0 237.391 4.071 10 0 BIAERN CC[C@H](C)c1ccc(N[C@@H](C)c2cc[nH]n2)cc1 ZINC000037907342 171410551 /nfs/dbraw/zinc/41/05/51/171410551.db2.gz PCADSRZFYCEWSW-RYUDHWBXSA-N 0 0 243.354 4.096 10 0 BIAERN CC[C@@H](C)c1ccc(N[C@H](C)c2cc[nH]n2)cc1 ZINC000037907343 170804446 /nfs/dbraw/zinc/80/44/46/170804446.db2.gz PCADSRZFYCEWSW-VXGBXAGGSA-N 0 0 243.354 4.096 10 0 BIAERN CC[C@H](C)c1ccc(N[C@H](C)c2cc[nH]n2)cc1 ZINC000037907344 171410226 /nfs/dbraw/zinc/41/02/26/171410226.db2.gz PCADSRZFYCEWSW-NWDGAFQWSA-N 0 0 243.354 4.096 10 0 BIAERN Cc1nc(CNc2cccc(C(C)C)c2)oc1C ZINC000037909341 179977074 /nfs/dbraw/zinc/97/70/74/179977074.db2.gz ULVHMHWMZPSNEY-UHFFFAOYSA-N 0 0 244.338 4.027 10 0 BIAERN c1ccc(NCCc2cccc3ccccc32)cc1 ZINC000037927636 183416198 /nfs/dbraw/zinc/41/61/98/183416198.db2.gz DUQTTZBITACYIH-UHFFFAOYSA-N 0 0 247.341 4.494 10 0 BIAERN Cc1cc(CNc2ccccc2)c2ccccc2n1 ZINC000037927674 178043730 /nfs/dbraw/zinc/04/37/30/178043730.db2.gz UERVZXBEXWCCLC-UHFFFAOYSA-N 0 0 248.329 4.155 10 0 BIAERN Fc1cccc(Cl)c1CCNc1ccccc1 ZINC000037927680 180999563 /nfs/dbraw/zinc/99/95/63/180999563.db2.gz IIGCMKLZSGUKKP-UHFFFAOYSA-N 0 0 249.716 4.134 10 0 BIAERN c1ccc(NC[C@@H]2CCCc3ccccc32)cc1 ZINC000037927691 183416381 /nfs/dbraw/zinc/41/63/81/183416381.db2.gz WRHSKXPYNILGNZ-HNNXBMFYSA-N 0 0 237.346 4.219 10 0 BIAERN CCOC(=N)Cc1c(C)cc(C(C)(C)C)cc1C ZINC000037927996 170179932 /nfs/dbraw/zinc/17/99/32/170179932.db2.gz ZIWJBERLYLPXRB-UHFFFAOYSA-N 0 0 247.382 4.157 10 0 BIAERN Cc1nc2ccc(OC(C)C)cc2c(Cl)c1C ZINC000037947798 180096473 /nfs/dbraw/zinc/09/64/73/180096473.db2.gz WGURIOAETRHOGU-UHFFFAOYSA-N 0 0 249.741 4.292 10 0 BIAERN Cc1ccc(-c2nc(C)c(C)c(Cl)n2)c(C)c1 ZINC000037947859 178333363 /nfs/dbraw/zinc/33/33/63/178333363.db2.gz QXWGLUGDMDYWBF-UHFFFAOYSA-N 0 0 246.741 4.031 10 0 BIAERN Cc1ccc(-c2nc(C)c(C)c(Cl)n2)cc1C ZINC000037947920 178333543 /nfs/dbraw/zinc/33/35/43/178333543.db2.gz XJJQFWGIAIICNE-UHFFFAOYSA-N 0 0 246.741 4.031 10 0 BIAERN Cc1cccc(NCc2cc(C)cc(C)c2)c1 ZINC000037978554 177901562 /nfs/dbraw/zinc/90/15/62/177901562.db2.gz UBHDXDZPWOFAFJ-UHFFFAOYSA-N 0 0 225.335 4.224 10 0 BIAERN Cc1cc(C)cc(CNc2cccc(F)c2)c1 ZINC000037978565 177902021 /nfs/dbraw/zinc/90/20/21/177902021.db2.gz SXSAPLWCNHCVIG-UHFFFAOYSA-N 0 0 229.298 4.055 10 0 BIAERN Cc1cc(C)cc(CNc2c(F)cccc2F)c1 ZINC000037978605 177902372 /nfs/dbraw/zinc/90/23/72/177902372.db2.gz WEZHQHAXEUWITR-UHFFFAOYSA-N 0 0 247.288 4.194 10 0 BIAERN CC(C)c1ccc(Oc2cncc(Cl)n2)cc1 ZINC000037981695 167610210 /nfs/dbraw/zinc/61/02/10/167610210.db2.gz SFBFTWVLNDWBTQ-UHFFFAOYSA-N 0 0 248.713 4.046 10 0 BIAERN Cc1cccc(C(=O)Cc2ccc(Cl)cc2)c1 ZINC000037992337 179004689 /nfs/dbraw/zinc/00/46/89/179004689.db2.gz DXKVDSLRVPFDMG-UHFFFAOYSA-N 0 0 244.721 4.074 10 0 BIAERN CC(C)c1ccc(-c2ccc(C=O)cc2)cc1 ZINC000037995502 712796700 /nfs/dbraw/zinc/79/67/00/712796700.db2.gz BODHEIQEYZEJHK-UHFFFAOYSA-N 0 0 224.303 4.290 10 0 BIAERN CCc1c(C)nc2cc(F)c(F)cc2c1Cl ZINC000038004119 171741846 /nfs/dbraw/zinc/74/18/46/171741846.db2.gz GFQYRGQNGDSRNX-UHFFFAOYSA-N 0 0 241.668 4.037 10 0 BIAERN CC[C@H](Cc1ccc(Cl)cc1Cl)C(C)=O ZINC000038004139 171470073 /nfs/dbraw/zinc/47/00/73/171470073.db2.gz WKZXURRUTOUZFR-SECBINFHSA-N 0 0 245.149 4.151 10 0 BIAERN CC[C@H](Cc1ccc(Cl)c(Cl)c1)C(C)=O ZINC000038004169 171470128 /nfs/dbraw/zinc/47/01/28/171470128.db2.gz CWGFBWWDBYJEHQ-SNVBAGLBSA-N 0 0 245.149 4.151 10 0 BIAERN CCc1ccc([C@@H](C)Nc2cccc(C)n2)cc1 ZINC000038012765 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/nfs/dbraw/zinc/32/59/11/178325911.db2.gz MJHBGPCTNGRWBF-UHFFFAOYSA-N 0 0 241.334 4.031 10 0 BIAERN Cc1cc(N)ccc1-c1ccc(OC(C)C)cc1 ZINC000038069459 490163405 /nfs/dbraw/zinc/16/34/05/490163405.db2.gz AYUFGHYEOBIERQ-UHFFFAOYSA-N 0 0 241.334 4.031 10 0 BIAERN Cc1ccc(-c2ccc(C(C)C)cc2)cc1N ZINC000038069533 188472922 /nfs/dbraw/zinc/47/29/22/188472922.db2.gz IOSAXWBCYOEYBP-UHFFFAOYSA-N 0 0 225.335 4.368 10 0 BIAERN CC(C)c1ccc(-c2ccccc2N)cc1 ZINC000038069537 712805296 /nfs/dbraw/zinc/80/52/96/712805296.db2.gz DPSIQOQPIKNDJG-UHFFFAOYSA-N 0 0 211.308 4.059 10 0 BIAERN Cc1cc(N)ccc1-c1ccc(C(C)C)cc1 ZINC000038069539 187262519 /nfs/dbraw/zinc/26/25/19/187262519.db2.gz DKJFORHTDSPGPO-UHFFFAOYSA-N 0 0 225.335 4.368 10 0 BIAERN CC(=O)c1ccc(-c2cc(C)cc(C)c2)cc1 ZINC000038069544 166450098 /nfs/dbraw/zinc/45/00/98/166450098.db2.gz UBMOPBKMERPGRG-UHFFFAOYSA-N 0 0 224.303 4.173 10 0 BIAERN CC(=O)c1ccccc1-c1cc(C)cc(C)c1 ZINC000038069547 166480085 /nfs/dbraw/zinc/48/00/85/166480085.db2.gz 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182872513 /nfs/dbraw/zinc/87/25/13/182872513.db2.gz HOLKGBDHPGLMNI-UHFFFAOYSA-N 0 0 232.282 4.319 10 0 BIAERN CCC(=O)c1ccc(-c2ccc(F)cc2C)cc1 ZINC000038069696 168255174 /nfs/dbraw/zinc/25/51/74/168255174.db2.gz GPSPBQYWBUUMTN-UHFFFAOYSA-N 0 0 242.293 4.394 10 0 BIAERN CC(=O)c1ccccc1-c1ccc(F)cc1C ZINC000038069698 166480653 /nfs/dbraw/zinc/48/06/53/166480653.db2.gz CJQJDUHLZIUFEE-UHFFFAOYSA-N 0 0 228.266 4.004 10 0 BIAERN CCC(=O)c1cccc(-c2ccc(F)cc2C)c1 ZINC000038069702 168257418 /nfs/dbraw/zinc/25/74/18/168257418.db2.gz LKPMVOGEQAEUQG-UHFFFAOYSA-N 0 0 242.293 4.394 10 0 BIAERN CCC(=O)c1ccc(-c2ccc(F)c(C)c2)cc1 ZINC000038069717 168254717 /nfs/dbraw/zinc/25/47/17/168254717.db2.gz FARNVFOZIKRTSH-UHFFFAOYSA-N 0 0 242.293 4.394 10 0 BIAERN CC(=O)c1cccc(-c2ccc(F)c(C)c2)c1 ZINC000038069720 166470414 /nfs/dbraw/zinc/47/04/14/166470414.db2.gz GCHLYXLPPCMTRY-UHFFFAOYSA-N 0 0 228.266 4.004 10 0 BIAERN CCC(=O)c1cccc(-c2ccc(F)c(C)c2)c1 ZINC000038069723 168257582 /nfs/dbraw/zinc/25/75/82/168257582.db2.gz XTLDYRZLTWRUKA-UHFFFAOYSA-N 0 0 242.293 4.394 10 0 BIAERN CCC(=O)c1cccc(-c2cccc(C)c2)c1 ZINC000038069762 168257332 /nfs/dbraw/zinc/25/73/32/168257332.db2.gz ALYARPIVVCXIGT-UHFFFAOYSA-N 0 0 224.303 4.255 10 0 BIAERN CCC(=O)c1cccc(-c2cccc(F)c2)c1 ZINC000038069767 168258018 /nfs/dbraw/zinc/25/80/18/168258018.db2.gz VLFIWNYKNHEBJR-UHFFFAOYSA-N 0 0 228.266 4.085 10 0 BIAERN Cc1cc(C)c(-c2ccc(C=O)c(F)c2)c(C)c1 ZINC000038071722 177834749 /nfs/dbraw/zinc/83/47/49/177834749.db2.gz AMILLPIGCXCGRE-UHFFFAOYSA-N 0 0 242.293 4.230 10 0 BIAERN CC(=O)c1cccc(-c2c(C)cc(C)cc2C)c1 ZINC000038071724 166469487 /nfs/dbraw/zinc/46/94/87/166469487.db2.gz UAJAGILAEPYQFL-UHFFFAOYSA-N 0 0 238.330 4.481 10 0 BIAERN Cc1cc(C)c(-c2ccc(F)c(C=O)c2)c(C)c1 ZINC000038071725 177835444 /nfs/dbraw/zinc/83/54/44/177835444.db2.gz QOMUYYPRDZRGRX-UHFFFAOYSA-N 0 0 242.293 4.230 10 0 BIAERN CCC(=O)c1cccc(-c2ccc(F)cc2F)c1 ZINC000038071736 168258050 /nfs/dbraw/zinc/25/80/50/168258050.db2.gz TVTTYNATYRURCR-UHFFFAOYSA-N 0 0 246.256 4.225 10 0 BIAERN O=Cc1ccccc1-c1ccc2c(c1)CCCC2 ZINC000038071759 712805620 /nfs/dbraw/zinc/80/56/20/712805620.db2.gz ABDLGLYFOJKDKM-UHFFFAOYSA-N 0 0 236.314 4.045 10 0 BIAERN CCC(=O)c1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000038071763 168254889 /nfs/dbraw/zinc/25/48/89/168254889.db2.gz DQDRGFJAWHILCA-UHFFFAOYSA-N 0 0 246.256 4.225 10 0 BIAERN CC(=O)c1ccc(-c2ccc3c(c2)CCC3)cc1 ZINC000038071888 166451946 /nfs/dbraw/zinc/45/19/46/166451946.db2.gz FBYSNINIMJEFNV-UHFFFAOYSA-N 0 0 236.314 4.045 10 0 BIAERN CC(C)c1ccc(-c2cccc(C=O)c2)cc1 ZINC000038071990 712805172 /nfs/dbraw/zinc/80/51/72/712805172.db2.gz HJAYVRGKGWAXOT-UHFFFAOYSA-N 0 0 224.303 4.290 10 0 BIAERN CC(C)c1ccc(-c2ccccc2C=O)cc1 ZINC000038071992 712805301 /nfs/dbraw/zinc/80/53/01/712805301.db2.gz FFECRFNWTHVFIF-UHFFFAOYSA-N 0 0 224.303 4.290 10 0 BIAERN Cc1cc(C)cc(CC(=O)c2ccccc2C)c1 ZINC000038077178 177895751 /nfs/dbraw/zinc/89/57/51/177895751.db2.gz WGYXAMSEQJUMBX-UHFFFAOYSA-N 0 0 238.330 4.037 10 0 BIAERN CC(C)c1ccccc1Oc1cncc(Cl)n1 ZINC000038082330 167645749 /nfs/dbraw/zinc/64/57/49/167645749.db2.gz LNLVWXCJALPGRG-UHFFFAOYSA-N 0 0 248.713 4.046 10 0 BIAERN Cc1cccc(N[C@@H](C)c2cccc(Cl)c2)n1 ZINC000038093153 179152738 /nfs/dbraw/zinc/15/27/38/179152738.db2.gz NNHSTUPYRFGCAD-NSHDSACASA-N 0 0 246.741 4.217 10 0 BIAERN Cc1cc(C)c(C(=O)Cc2cccs2)c(C)c1 ZINC000038126009 350308007 /nfs/dbraw/zinc/30/80/07/350308007.db2.gz NZBDVUOUEAKAOI-UHFFFAOYSA-N 0 0 244.359 4.099 10 0 BIAERN CC(C)c1ccc(C(=O)Cc2cccs2)cc1 ZINC000038126034 350307943 /nfs/dbraw/zinc/30/79/43/350307943.db2.gz HKMZLCGHFAPSNP-UHFFFAOYSA-N 0 0 244.359 4.297 10 0 BIAERN CCC1=C([C@@H](C)c2ccccn2)CCC1 ZINC000038221011 343372971 /nfs/dbraw/zinc/37/29/71/343372971.db2.gz PSDYJDFCCPSGPF-LLVKDONJSA-N 0 0 201.313 4.076 10 0 BIAERN CCC1=C([C@H](C)c2ccccn2)CCC1 ZINC000038221012 187600762 /nfs/dbraw/zinc/60/07/62/187600762.db2.gz PSDYJDFCCPSGPF-NSHDSACASA-N 0 0 201.313 4.076 10 0 BIAERN CCc1cccc(CC)c1NCc1ccccc1 ZINC000038221908 188290830 /nfs/dbraw/zinc/29/08/30/188290830.db2.gz HVKHAQVPQIHYBP-UHFFFAOYSA-N 0 0 239.362 4.424 10 0 BIAERN CC1(C)Cc2ccccc2N[C@@H]1c1ccccc1 ZINC000038237257 347161243 /nfs/dbraw/zinc/16/12/43/347161243.db2.gz JHOOTCIMPSMMJD-MRXNPFEDSA-N 0 0 237.346 4.422 10 0 BIAERN CC1(C)Cc2ccccc2N[C@H]1c1ccccc1 ZINC000038237259 347160893 /nfs/dbraw/zinc/16/08/93/347160893.db2.gz JHOOTCIMPSMMJD-INIZCTEOSA-N 0 0 237.346 4.422 10 0 BIAERN CCCC[C@]1(c2ccc(Cl)cc2Cl)CO1 ZINC000038272760 169016559 /nfs/dbraw/zinc/01/65/59/169016559.db2.gz SBPUYQOPWLYDBB-GFCCVEGCSA-N 0 0 245.149 4.409 10 0 BIAERN CCCC[C@@]1(c2ccc(Cl)cc2Cl)CO1 ZINC000038272761 343373289 /nfs/dbraw/zinc/37/32/89/343373289.db2.gz SBPUYQOPWLYDBB-LBPRGKRZSA-N 0 0 245.149 4.409 10 0 BIAERN c1ccc2cc(C3=CCCCC3)ncc2c1 ZINC000038293355 188459105 /nfs/dbraw/zinc/45/91/05/188459105.db2.gz PIYQJOXJMKNHRZ-UHFFFAOYSA-N 0 0 209.292 4.192 10 0 BIAERN CC(C)=CCc1c2[nH]ccc2ccc1Cl ZINC000038293607 358144912 /nfs/dbraw/zinc/14/49/12/358144912.db2.gz 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/nfs/dbraw/zinc/16/41/87/347164187.db2.gz ZZOBOQSLDHSUOB-UHFFFAOYSA-N 0 0 247.725 4.179 10 0 BIAERN O=[N+]([O-])c1ccc(Oc2ccccc2)cc1Cl ZINC000038418629 358151163 /nfs/dbraw/zinc/15/11/63/358151163.db2.gz ZAYCKKKLMJCWMW-UHFFFAOYSA-N 0 0 249.653 4.041 10 0 BIAERN CCC/C=C/c1nc2ccccc2s1 ZINC000038435137 343374604 /nfs/dbraw/zinc/37/46/04/343374604.db2.gz HCXOYXBBLHDVOO-RUDMXATFSA-N 0 0 203.310 4.110 10 0 BIAERN c1cc2ccc(-c3ccc4[nH]ccc4c3)cc2[nH]1 ZINC000038436149 183374501 /nfs/dbraw/zinc/37/45/01/183374501.db2.gz UWKFRZWDZQVPPS-UHFFFAOYSA-N 0 0 232.286 4.316 10 0 BIAERN Cc1cccc2c1C(=O)CC[C@@H]2c1ccccc1 ZINC000038436310 358152395 /nfs/dbraw/zinc/15/23/95/358152395.db2.gz MSCXXWXEUUMICS-CQSZACIVSA-N 0 0 236.314 4.103 10 0 BIAERN Cc1cccc2c1C(=O)CC[C@H]2c1ccccc1 ZINC000038436311 368326750 /nfs/dbraw/zinc/32/67/50/368326750.db2.gz MSCXXWXEUUMICS-AWEZNQCLSA-N 0 0 236.314 4.103 10 0 BIAERN COc1ccc(-c2cc3cc(F)ccc3o2)cc1 ZINC000038458106 368326521 /nfs/dbraw/zinc/32/65/21/368326521.db2.gz 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CCC1=C(C(C)C)[C@]2(CCC1)CC(C)=CC(=O)O2 ZINC000038591931 368327753 /nfs/dbraw/zinc/32/77/53/368327753.db2.gz XCSSELGLBWQLOJ-INIZCTEOSA-N 0 0 248.366 4.165 10 0 BIAERN CC(C)[C@H]1C[C@H](C(C)C)OP(C(C)C)O1 ZINC000038609317 167503806 /nfs/dbraw/zinc/50/38/06/167503806.db2.gz YLEBHTZHRYJPKZ-VXGBXAGGSA-N 0 0 232.304 4.193 10 0 BIAERN CC(C)=CCC/C(C)=C\C=C(/C)C(C)=O ZINC000038609406 538967794 /nfs/dbraw/zinc/96/77/94/538967794.db2.gz PRMAVUPVLGOONQ-TVRQEHKRSA-N 0 0 206.329 4.214 10 0 BIAERN CC[C@@H](C)c1cccc(O)c1[C@@H](C)CC ZINC000038612137 384088445 /nfs/dbraw/zinc/08/84/45/384088445.db2.gz ROOPEIGRBDVOKP-MNOVXSKESA-N 0 0 206.329 4.419 10 0 BIAERN CC[C@H](C)c1cccc(O)c1[C@@H](C)CC ZINC000038612138 384088846 /nfs/dbraw/zinc/08/88/46/384088846.db2.gz ROOPEIGRBDVOKP-QWRGUYRKSA-N 0 0 206.329 4.419 10 0 BIAERN CC[C@@H](C)c1cccc(O)c1[C@H](C)CC ZINC000038612139 170806284 /nfs/dbraw/zinc/80/62/84/170806284.db2.gz ROOPEIGRBDVOKP-GHMZBOCLSA-N 0 0 206.329 4.419 10 0 BIAERN CC[C@@H](C)c1c(O)cccc1[C@@H](C)CC ZINC000038612140 384088903 /nfs/dbraw/zinc/08/89/03/384088903.db2.gz ROOPEIGRBDVOKP-WDEREUQCSA-N 0 0 206.329 4.419 10 0 BIAERN C/C=C/c1ccc(OCCC(C)C)c(OC)c1 ZINC000038636855 188117600 /nfs/dbraw/zinc/11/76/00/188117600.db2.gz AJAOXJQJCYZJNH-AATRIKPKSA-N 0 0 234.339 4.153 10 0 BIAERN C[C@@]12CC(C)(C)CCO[C@H]1[C@H]1CCCC[C@@H]12 ZINC000038646981 167925025 /nfs/dbraw/zinc/92/50/25/167925025.db2.gz FBVVORSCLMYLCQ-ABHRYQDASA-N 0 0 222.372 4.018 10 0 BIAERN CC1=CC[C@H](CC[C@@H](C)C[C@@H](C)CO)C1(C)C ZINC000038647820 168120071 /nfs/dbraw/zinc/12/00/71/168120071.db2.gz OEEATFVPGMIOBV-NFAWXSAZSA-N 0 0 238.415 4.414 10 0 BIAERN CC1=CC[C@@H](CC[C@@H](C)C[C@@H](C)CO)C1(C)C ZINC000038647822 168117365 /nfs/dbraw/zinc/11/73/65/168117365.db2.gz OEEATFVPGMIOBV-UMVBOHGHSA-N 0 0 238.415 4.414 10 0 BIAERN CC1=CC[C@H](CC[C@H](C)C[C@@H](C)CO)C1(C)C ZINC000038647824 168120496 /nfs/dbraw/zinc/12/04/96/168120496.db2.gz OEEATFVPGMIOBV-GUTXKFCHSA-N 0 0 238.415 4.414 10 0 BIAERN CC1=CC[C@@H](CC[C@H](C)C[C@@H](C)CO)C1(C)C ZINC000038647825 168118160 /nfs/dbraw/zinc/11/81/60/168118160.db2.gz OEEATFVPGMIOBV-GZBFAFLISA-N 0 0 238.415 4.414 10 0 BIAERN CCC(C)(C)C1CCC2(C[C@H](C)CO2)CC1 ZINC000038647870 168271124 /nfs/dbraw/zinc/27/11/24/168271124.db2.gz WJEJFRYVWSCUOJ-OPFPJEHXSA-N 0 0 224.388 4.408 10 0 BIAERN CCC(C)(C)C1CCC2(C[C@@H](C)CO2)CC1 ZINC000038647872 168270946 /nfs/dbraw/zinc/27/09/46/168270946.db2.gz WJEJFRYVWSCUOJ-DNOWBOINSA-N 0 0 224.388 4.408 10 0 BIAERN CO[C@@H]1CCC(C)(C)[C@@]23CC[C@@H](C2)C(C)(C)[C@H]13 ZINC000038648370 188117609 /nfs/dbraw/zinc/11/76/09/188117609.db2.gz CAASAEIMOLBQBR-ZWUHOBOKSA-N 0 0 236.399 4.264 10 0 BIAERN C[C@H]1COC2(C1)CCC(C(C)(C)C)CC2 ZINC000038648397 177287009 /nfs/dbraw/zinc/28/70/09/177287009.db2.gz FHNJABUFDVGIFH-LKSINWNRSA-N 0 0 210.361 4.018 10 0 BIAERN Cc1nc(-c2ccccc2)cc2ccccc21 ZINC000038673899 384091245 /nfs/dbraw/zinc/09/12/45/384091245.db2.gz ZOXOLPGKTSLTFP-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN Cc1ccc2[nH]cc(-c3ccc(F)cc3)c2c1 ZINC000038674237 343378578 /nfs/dbraw/zinc/37/85/78/343378578.db2.gz WYGFHOOJJODWSP-UHFFFAOYSA-N 0 0 225.266 4.282 10 0 BIAERN Cc1cccc2[nH]cc(-c3ccc(F)cc3)c21 ZINC000038763712 368328013 /nfs/dbraw/zinc/32/80/13/368328013.db2.gz RADCVJRJRSBYFL-UHFFFAOYSA-N 0 0 225.266 4.282 10 0 BIAERN CN(c1ccccc1)c1ccnc2ccccc21 ZINC000038764468 368327521 /nfs/dbraw/zinc/32/75/21/368327521.db2.gz MUGHUEOCDUIYMP-UHFFFAOYSA-N 0 0 234.302 4.003 10 0 BIAERN Fc1ccc(Oc2ccc3cc[nH]c3c2)cc1 ZINC000038813169 347167705 /nfs/dbraw/zinc/16/77/05/347167705.db2.gz SPMCQUHVRAUFHV-UHFFFAOYSA-N 0 0 227.238 4.099 10 0 BIAERN Fc1ccc(-n2ccc3ccc(Cl)cc32)cc1 ZINC000038813892 347167553 /nfs/dbraw/zinc/16/75/53/347167553.db2.gz HDDVGTIGECAMQF-UHFFFAOYSA-N 0 0 245.684 4.423 10 0 BIAERN COc1ccc(C2=CCCc3ccccc32)cc1 ZINC000038841808 368327540 /nfs/dbraw/zinc/32/75/40/368327540.db2.gz FHRXAVHXIKEWEU-UHFFFAOYSA-N 0 0 236.314 4.073 10 0 BIAERN Cc1sc2c(c1-c1ccccc1)C(=O)[C@@H](C)C2 ZINC000038843513 180558975 /nfs/dbraw/zinc/55/89/75/180558975.db2.gz GAMREVPIMLZPPU-VIFPVBQESA-N 0 0 242.343 4.098 10 0 BIAERN Cc1cc2c(cc1N)C(C)(C)CC(C)(C)S2 ZINC000038863250 347168331 /nfs/dbraw/zinc/16/83/31/347168331.db2.gz FTHDKZSXLFYBDU-UHFFFAOYSA-N 0 0 235.396 4.129 10 0 BIAERN Cc1cc2ccccc2n1-c1ccc(F)cc1 ZINC000038867861 347168599 /nfs/dbraw/zinc/16/85/99/347168599.db2.gz OATVJSXTTKTIGS-UHFFFAOYSA-N 0 0 225.266 4.078 10 0 BIAERN Oc1ccc(Cl)cc1/C=C/c1ccccc1 ZINC000038868241 358210066 /nfs/dbraw/zinc/21/00/66/358210066.db2.gz DFHXKRFNZBTAJG-VOTSOKGWSA-N 0 0 230.694 4.216 10 0 BIAERN Clc1ccnc(SCc2ccccc2)c1 ZINC000038873437 343380308 /nfs/dbraw/zinc/38/03/08/343380308.db2.gz FSXKFQLFOMJIFE-UHFFFAOYSA-N 0 0 235.739 4.027 10 0 BIAERN CC(C)c1c[nH]c2ccc(Br)cc21 ZINC000038875124 359987092 /nfs/dbraw/zinc/98/70/92/359987092.db2.gz FBNRLQRIMLEPOY-UHFFFAOYSA-N 0 0 238.128 4.054 10 0 BIAERN COc1ccc(-c2oc3ccccc3c2C)cc1 ZINC000038880430 175043227 /nfs/dbraw/zinc/04/32/27/175043227.db2.gz 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BIAERN Nc1ccc(/C=C\c2ccc(Cl)cc2)cc1 ZINC000038953373 358213400 /nfs/dbraw/zinc/21/34/00/358213400.db2.gz XPIHDAPOGFAZLY-UPHRSURJSA-N 0 0 229.710 4.093 10 0 BIAERN Cc1ccc2c(Cl)c3c(nc2c1)CCCC3 ZINC000038953490 347171325 /nfs/dbraw/zinc/17/13/25/347171325.db2.gz LFNDQVXEDWSYGZ-UHFFFAOYSA-N 0 0 231.726 4.075 10 0 BIAERN CC1(C)CCC(O)(CCCc2ccccc2)CC1 ZINC000038954472 358213398 /nfs/dbraw/zinc/21/33/98/358213398.db2.gz ICYIOAAUAXPKKX-UHFFFAOYSA-N 0 0 246.394 4.341 10 0 BIAERN CCC[C@H](C(=O)OC)c1ccc(C(C)(C)C)cc1 ZINC000038954594 363554055 /nfs/dbraw/zinc/55/40/55/363554055.db2.gz PROQWXLMVMNBCV-AWEZNQCLSA-N 0 0 248.366 4.041 10 0 BIAERN CCC[C@@H](C(=O)OC)c1ccc(C(C)(C)C)cc1 ZINC000038954595 358213394 /nfs/dbraw/zinc/21/33/94/358213394.db2.gz PROQWXLMVMNBCV-CQSZACIVSA-N 0 0 248.366 4.041 10 0 BIAERN Clc1cc2[nH]ccc2cc1-c1ccccc1 ZINC000038976261 368327600 /nfs/dbraw/zinc/32/76/00/368327600.db2.gz ZXACCQYRMSVBJK-UHFFFAOYSA-N 0 0 227.694 4.488 10 0 BIAERN Cc1cccc2cc3c(nc12)Cc1ccccc1-3 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/nfs/dbraw/zinc/27/37/16/526273716.db2.gz WWYMPTXKCNENLF-UHFFFAOYSA-N 0 0 249.313 4.225 10 0 BIAERN CC(C)(C)c1cccc2c1OCCC2(C)C ZINC000039076045 368329280 /nfs/dbraw/zinc/32/92/80/368329280.db2.gz OMEXPAAMWVTIGF-UHFFFAOYSA-N 0 0 218.340 4.044 10 0 BIAERN Oc1ccccc1SC1CCCCCC1 ZINC000039076265 358214013 /nfs/dbraw/zinc/21/40/13/358214013.db2.gz VVQSDWQLBVFAHS-UHFFFAOYSA-N 0 0 222.353 4.207 10 0 BIAERN COc1ccc(C(=O)/C=C/C2CCCCC2)cc1 ZINC000039077364 350114906 /nfs/dbraw/zinc/11/49/06/350114906.db2.gz ILLCNWCRSSQIHA-KPKJPENVSA-N 0 0 244.334 4.014 10 0 BIAERN Cc1cc(-c2ccccc2)c(Cl)cc1[N+](=O)[O-] ZINC000039078653 347177511 /nfs/dbraw/zinc/17/75/11/347177511.db2.gz SQIFEOHVNVJICE-UHFFFAOYSA-N 0 0 247.681 4.224 10 0 BIAERN Cc1cc(-c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000039078655 347177341 /nfs/dbraw/zinc/17/73/41/347177341.db2.gz BWWNUKDEOWHLQR-UHFFFAOYSA-N 0 0 247.681 4.224 10 0 BIAERN OC1(C2(Sc3ccccc3)CC2)CCCCC1 ZINC000039078810 183015802 /nfs/dbraw/zinc/01/58/02/183015802.db2.gz 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CCc1nc2cc(-c3ccccc3)ccc2o1 ZINC000039102471 172010675 /nfs/dbraw/zinc/01/06/75/172010675.db2.gz AEADBBUECVLTRS-UHFFFAOYSA-N 0 0 223.275 4.057 10 0 BIAERN CC[C@@]1(C)Nc2cc(C)ccc2N=C(C)[C@H]1C ZINC000039102936 171209123 /nfs/dbraw/zinc/20/91/23/171209123.db2.gz LSODDHLOYKHOEC-IAQYHMDHSA-N 0 0 230.355 4.318 10 0 BIAERN CC[C@@]1(C)Nc2cc(C)ccc2N=C(C)[C@@H]1C ZINC000039102938 171209854 /nfs/dbraw/zinc/20/98/54/171209854.db2.gz LSODDHLOYKHOEC-XHDPSFHLSA-N 0 0 230.355 4.318 10 0 BIAERN CCC1=Nc2ccc(C)cc2N[C@](C)(CC)C1 ZINC000039102977 168510356 /nfs/dbraw/zinc/51/03/56/168510356.db2.gz GDOUHSCICXXCOJ-OAHLLOKOSA-N 0 0 230.355 4.462 10 0 BIAERN Cc1cc(O)ccc1C1CCCCCC1 ZINC000039105252 343384961 /nfs/dbraw/zinc/38/49/61/343384961.db2.gz WXKQBAUXRSYXQC-UHFFFAOYSA-N 0 0 204.313 4.138 10 0 BIAERN Cc1ccc(C2CCCCCC2)c(O)c1 ZINC000039105253 343384918 /nfs/dbraw/zinc/38/49/18/343384918.db2.gz INYHHLMPHLWMBS-UHFFFAOYSA-N 0 0 204.313 4.138 10 0 BIAERN Cc1cccc(O)c1C1CCCCCC1 ZINC000039105254 179159944 /nfs/dbraw/zinc/15/99/44/179159944.db2.gz FCJJXTQOMSWXHN-UHFFFAOYSA-N 0 0 204.313 4.138 10 0 BIAERN Cc1cc2cccc(-c3ccccc3)c2o1 ZINC000039105720 178297877 /nfs/dbraw/zinc/29/78/77/178297877.db2.gz GBVFFFWKJPRXDI-UHFFFAOYSA-N 0 0 208.260 4.408 10 0 BIAERN CCCCCCOc1ccc(C)cc1F ZINC000039108935 168671940 /nfs/dbraw/zinc/67/19/40/168671940.db2.gz GDJJHBBHBVJWAT-UHFFFAOYSA-N 0 0 210.292 4.093 10 0 BIAERN C=Cc1cc(C)ccc1NCc1ccccc1 ZINC000039110541 187263376 /nfs/dbraw/zinc/26/33/76/187263376.db2.gz SMQIJCFBJXLOAO-UHFFFAOYSA-N 0 0 223.319 4.250 10 0 BIAERN C/C(=C/c1ccc(C)cc1)c1ccc(N)cc1 ZINC000039110573 187263313 /nfs/dbraw/zinc/26/33/13/187263313.db2.gz BDBZGHQVOJTLGX-QBFSEMIESA-N 0 0 223.319 4.138 10 0 BIAERN Cc1cc(C)c(-c2ccccc2)c(C)c1C=O ZINC000039110710 384106940 /nfs/dbraw/zinc/10/69/40/384106940.db2.gz LVWXHPMYGNHPGB-UHFFFAOYSA-N 0 0 224.303 4.091 10 0 BIAERN CCCCn1cc(CC)c(CCC)c1C ZINC000039118358 169035817 /nfs/dbraw/zinc/03/58/17/169035817.db2.gz YSLZQXQAHCFFBB-UHFFFAOYSA-N 0 0 207.361 4.112 10 0 BIAERN CCCCc1csc(-c2ccccc2)n1 ZINC000039119152 343117248 /nfs/dbraw/zinc/11/72/48/343117248.db2.gz VAGUDRJJYGJIJP-UHFFFAOYSA-N 0 0 217.337 4.153 10 0 BIAERN CCc1ccc2c(c1)CC[C@@H](c1ccccc1)O2 ZINC000039120116 171847074 /nfs/dbraw/zinc/84/70/74/171847074.db2.gz USEPFTTWKSMJED-INIZCTEOSA-N 0 0 238.330 4.315 10 0 BIAERN Cc1cccc([C@@H]2CCc3ccccc3O2)c1 ZINC000039120122 179191053 /nfs/dbraw/zinc/19/10/53/179191053.db2.gz DNISDIOLVZVJMU-INIZCTEOSA-N 0 0 224.303 4.061 10 0 BIAERN Cc1cccc([C@H]2CCc3ccccc3O2)c1 ZINC000039120124 188119396 /nfs/dbraw/zinc/11/93/96/188119396.db2.gz DNISDIOLVZVJMU-MRXNPFEDSA-N 0 0 224.303 4.061 10 0 BIAERN Cc1ccccc1[C@@H]1CCc2ccccc2O1 ZINC000039120134 179330292 /nfs/dbraw/zinc/33/02/92/179330292.db2.gz KMVPIBPHJUGXCK-INIZCTEOSA-N 0 0 224.303 4.061 10 0 BIAERN Cc1ccccc1[C@H]1CCc2ccccc2O1 ZINC000039120136 179348979 /nfs/dbraw/zinc/34/89/79/179348979.db2.gz KMVPIBPHJUGXCK-MRXNPFEDSA-N 0 0 224.303 4.061 10 0 BIAERN CC(C)CC(CC(C)C)C(=O)OC(C)(C)C ZINC000039120253 347179453 /nfs/dbraw/zinc/17/94/53/347179453.db2.gz HRLKYVGGJMIUOU-UHFFFAOYSA-N 0 0 228.376 4.037 10 0 BIAERN CC(C)(C)c1cccc2c1OCC21CCCC1 ZINC000039120480 347179436 /nfs/dbraw/zinc/17/94/36/347179436.db2.gz HSLGCSIYSZMWRX-UHFFFAOYSA-N 0 0 230.351 4.188 10 0 BIAERN Cc1ccc(-c2ccc3c(c2)C(=O)CCC3)cc1 ZINC000039121101 178325602 /nfs/dbraw/zinc/32/56/02/178325602.db2.gz OOKAZZIOAGMCGT-UHFFFAOYSA-N 0 0 236.314 4.181 10 0 BIAERN Cc1cccc(SC(C)(C)CC(C)(C)O)c1 ZINC000039121365 347179528 /nfs/dbraw/zinc/17/95/28/347179528.db2.gz WENMTJNFWUMBDI-UHFFFAOYSA-N 0 0 238.396 4.027 10 0 BIAERN CCn1c(=S)cc(C)c2cccc(C)c21 ZINC000039124847 172133726 /nfs/dbraw/zinc/13/37/26/172133726.db2.gz BPBNEPICPCONBN-UHFFFAOYSA-N 0 0 217.337 4.008 10 0 BIAERN CCn1c(=S)cc(C)c2ccc(C)cc21 ZINC000039124848 172133203 /nfs/dbraw/zinc/13/32/03/172133203.db2.gz GEMHKPIKDDDFNC-UHFFFAOYSA-N 0 0 217.337 4.008 10 0 BIAERN CCCCN(CCCC)C(=S)CCC ZINC000039124881 168806544 /nfs/dbraw/zinc/80/65/44/168806544.db2.gz JPPBLHNPINDJLE-UHFFFAOYSA-N 0 0 215.406 4.016 10 0 BIAERN CCC(CC)n1c(C)cc2ccccc21 ZINC000039149195 347180983 /nfs/dbraw/zinc/18/09/83/347180983.db2.gz FHCOWNNFVXHLKL-UHFFFAOYSA-N 0 0 201.313 4.311 10 0 BIAERN CC1(C)COc2c1cccc2C1CCCC1 ZINC000039149825 347181331 /nfs/dbraw/zinc/18/13/31/347181331.db2.gz NAUGAYLLYYILHF-UHFFFAOYSA-N 0 0 216.324 4.014 10 0 BIAERN CC[C@]1(C)COc2c1cccc2C(C)(C)C ZINC000039149918 347181191 /nfs/dbraw/zinc/18/11/91/347181191.db2.gz CNFBONCDAHDYQY-OAHLLOKOSA-N 0 0 218.340 4.044 10 0 BIAERN CC[C@@]1(C)COc2c1cccc2C(C)(C)C ZINC000039149919 347181036 /nfs/dbraw/zinc/18/10/36/347181036.db2.gz CNFBONCDAHDYQY-HNNXBMFYSA-N 0 0 218.340 4.044 10 0 BIAERN CC(=O)SCCCCCCc1ccccc1 ZINC000039150951 343386288 /nfs/dbraw/zinc/38/62/88/343386288.db2.gz DSCBKVJFHFZNAW-UHFFFAOYSA-N 0 0 236.380 4.069 10 0 BIAERN C[C@@H]1c2ccccc2NC(C)(C)C1(C)C ZINC000039169165 343120300 /nfs/dbraw/zinc/12/03/00/343120300.db2.gz JIGUMLHBDSWNKL-SNVBAGLBSA-N 0 0 203.329 4.020 10 0 BIAERN C[C@H]1c2ccccc2NC(C)(C)C1(C)C ZINC000039169166 358222067 /nfs/dbraw/zinc/22/20/67/358222067.db2.gz JIGUMLHBDSWNKL-JTQLQIEISA-N 0 0 203.329 4.020 10 0 BIAERN Fc1cccc2c(Cl)c3ccccc3nc12 ZINC000039170555 347183020 /nfs/dbraw/zinc/18/30/20/347183020.db2.gz BKJLZFTZPLSXKS-UHFFFAOYSA-N 0 0 231.657 4.181 10 0 BIAERN O=C1C=C(c2ccccc2)[C@H](c2ccccc2)CC1 ZINC000039171495 350113623 /nfs/dbraw/zinc/11/36/23/350113623.db2.gz TWSIDYVPFGYXPW-KRWDZBQOSA-N 0 0 248.325 4.217 10 0 BIAERN O=C1C=C(c2ccccc2)[C@@H](c2ccccc2)CC1 ZINC000039171496 350113241 /nfs/dbraw/zinc/11/32/41/350113241.db2.gz TWSIDYVPFGYXPW-QGZVFWFLSA-N 0 0 248.325 4.217 10 0 BIAERN CC(C)(C)c1cccc2c1SCC2(C)C ZINC000039186663 358219866 /nfs/dbraw/zinc/21/98/66/358219866.db2.gz KHTSFJDIVQUQFU-UHFFFAOYSA-N 0 0 220.381 4.367 10 0 BIAERN Nc1ccccc1-c1cc2cc(Cl)ccc2[nH]1 ZINC000039187673 347183564 /nfs/dbraw/zinc/18/35/64/347183564.db2.gz XPWPKFKDPMWEAS-UHFFFAOYSA-N 0 0 242.709 4.071 10 0 BIAERN CCNc1ccc(OC23CCC(CC2)CC3)cc1 ZINC000039190397 347184384 /nfs/dbraw/zinc/18/43/84/347184384.db2.gz ULPHEHWBZWIGBV-UHFFFAOYSA-N 0 0 245.366 4.220 10 0 BIAERN CC(C)(C)c1ccc2c(c1)C(=O)c1ccccc1-2 ZINC000039191698 358219335 /nfs/dbraw/zinc/21/93/35/358219335.db2.gz BQDZXVFRUZZRPG-UHFFFAOYSA-N 0 0 236.314 4.196 10 0 BIAERN Clc1cccc2nc3ccccc3cc12 ZINC000039194633 347181665 /nfs/dbraw/zinc/18/16/65/347181665.db2.gz VIZLMXQJBOYAIH-UHFFFAOYSA-N 0 0 213.667 4.041 10 0 BIAERN CN(c1ccccc1)c1ccc2ccccc2n1 ZINC000039198698 358219229 /nfs/dbraw/zinc/21/92/29/358219229.db2.gz DCZMSUVEOIJAKU-UHFFFAOYSA-N 0 0 234.302 4.003 10 0 BIAERN C=Cc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000039201125 372900064 /nfs/dbraw/zinc/90/00/64/372900064.db2.gz JKESDTZAZJPCHW-JLHYYAGUSA-N 0 0 234.298 4.226 10 0 BIAERN COc1ccc2occ(-c3ccccc3)c2c1 ZINC000039203509 175231925 /nfs/dbraw/zinc/23/19/25/175231925.db2.gz IQVYQXHAXCWIAE-UHFFFAOYSA-N 0 0 224.259 4.108 10 0 BIAERN Cc1nc2ccccc2cc1-c1ccccc1 ZINC000039208692 180100970 /nfs/dbraw/zinc/10/09/70/180100970.db2.gz LBDODDLWQDVLIH-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN ClC(Cl)(Cl)c1ccc2ccccc2n1 ZINC000039220203 180568957 /nfs/dbraw/zinc/56/89/57/180568957.db2.gz KASSNQGPPUVYNL-UHFFFAOYSA-N 0 0 246.524 4.062 10 0 BIAERN CCCCCc1nc2ccccc2s1 ZINC000039222231 168749749 /nfs/dbraw/zinc/74/97/49/168749749.db2.gz HEDKBCKXJGJZQH-UHFFFAOYSA-N 0 0 205.326 4.029 10 0 BIAERN CCCCCCc1nc2ccccc2s1 ZINC000039224989 343387327 /nfs/dbraw/zinc/38/73/27/343387327.db2.gz XETMGEVGSLTKRW-UHFFFAOYSA-N 0 0 219.353 4.419 10 0 endogenous,in-man BIAERN c1ccc2sc(C3CCCCC3)nc2c1 ZINC000039224990 384112361 /nfs/dbraw/zinc/11/23/61/384112361.db2.gz CXUXSVRYIFBRSZ-UHFFFAOYSA-N 0 0 217.337 4.344 10 0 BIAERN Cc1ccc2c(c1)C=Cc1ccccc1N2 ZINC000039238166 178944819 /nfs/dbraw/zinc/94/48/19/178944819.db2.gz KBHZSHJGMSCTKN-UHFFFAOYSA-N 0 0 207.276 4.222 10 0 in-vitro BIAERN Cc1c(C=O)cc2c(C)ccc(C(C)C)cc1-2 ZINC000039239428 347187440 /nfs/dbraw/zinc/18/74/40/347187440.db2.gz XYZGAIJEPCTOQY-UHFFFAOYSA-N 0 0 226.319 4.344 10 0 BIAERN CCCCCCC(=O)c1ccc(Cl)cc1 ZINC000039240018 346565757 /nfs/dbraw/zinc/56/57/57/346565757.db2.gz RTZHOKLTFCLVKN-UHFFFAOYSA-N 0 0 224.731 4.493 10 0 BIAERN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 ZINC000039242806 178337393 /nfs/dbraw/zinc/33/73/93/178337393.db2.gz GOCGURGVWYWMOY-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN COC=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000039245492 347188683 /nfs/dbraw/zinc/18/86/83/347188683.db2.gz AFLQMTVJDDNOMX-UHFFFAOYSA-N 0 0 246.256 4.000 10 0 BIAERN Cc1ccc2onc(-c3ccc(Cl)cc3)c2c1 ZINC000039247042 368329147 /nfs/dbraw/zinc/32/91/47/368329147.db2.gz VGYWDBGYIICZEO-UHFFFAOYSA-N 0 0 243.693 4.457 10 0 BIAERN CCc1ccc2c(c1)onc2-c1ccc(F)cc1 ZINC000039247045 368329431 /nfs/dbraw/zinc/32/94/31/368329431.db2.gz VGBNWYUREXAVQI-UHFFFAOYSA-N 0 0 241.265 4.196 10 0 BIAERN Cc1cccc2c(-c3ccc(Cl)cc3)noc21 ZINC000039247046 368329070 /nfs/dbraw/zinc/32/90/70/368329070.db2.gz DSVLPHITMUUDRM-UHFFFAOYSA-N 0 0 243.693 4.457 10 0 BIAERN CCc1cccc2c(-c3ccccc3)noc21 ZINC000039247047 347188652 /nfs/dbraw/zinc/18/86/52/347188652.db2.gz XBMSTMZLCSJBAB-UHFFFAOYSA-N 0 0 223.275 4.057 10 0 BIAERN O=C1CC[C@H]2C[C@@H](c3ccccc3)c3cccc1c32 ZINC000039247326 347188167 /nfs/dbraw/zinc/18/81/67/347188167.db2.gz YZBSIBAOFOPLTF-BBRMVZONSA-N 0 0 248.325 4.282 10 0 BIAERN O=C1CC[C@H]2C[C@H](c3ccccc3)c3cccc1c32 ZINC000039247327 347188186 /nfs/dbraw/zinc/18/81/86/347188186.db2.gz YZBSIBAOFOPLTF-XJKSGUPXSA-N 0 0 248.325 4.282 10 0 BIAERN O=C1CC[C@@H]2C[C@@H](c3ccccc3)c3cccc1c32 ZINC000039247328 347188339 /nfs/dbraw/zinc/18/83/39/347188339.db2.gz YZBSIBAOFOPLTF-CJNGLKHVSA-N 0 0 248.325 4.282 10 0 BIAERN O=C1CC[C@@H]2C[C@H](c3ccccc3)c3cccc1c32 ZINC000039247329 347188669 /nfs/dbraw/zinc/18/86/69/347188669.db2.gz YZBSIBAOFOPLTF-CZUORRHYSA-N 0 0 248.325 4.282 10 0 BIAERN c1ccc(Oc2ccc(C3CC3)cc2)cc1 ZINC000039253508 187263227 /nfs/dbraw/zinc/26/32/27/187263227.db2.gz OATWERRIVFJXPU-UHFFFAOYSA-N 0 0 210.276 4.356 10 0 BIAERN N#CCc1ccccc1Oc1ccc(Cl)cc1 ZINC000039254663 368330770 /nfs/dbraw/zinc/33/07/70/368330770.db2.gz VWUXVGGSGGDYDV-UHFFFAOYSA-N 0 0 243.693 4.198 10 0 BIAERN CC(C)(C)Oc1cc(Cl)cc(Cl)c1 ZINC000039254790 347186439 /nfs/dbraw/zinc/18/64/39/347186439.db2.gz UPZHSZZEPVMYON-UHFFFAOYSA-N 0 0 219.111 4.171 10 0 BIAERN c1ccc([C@H]2C[C@@H](c3ccccc3)N=N2)cc1 ZINC000039254915 183428622 /nfs/dbraw/zinc/42/86/22/183428622.db2.gz OXKMXFFCZFWVQJ-GASCZTMLSA-N 0 0 222.291 4.325 10 0 BIAERN O=C(C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000039255246 181869434 /nfs/dbraw/zinc/86/94/34/181869434.db2.gz USUJQJKNGOARDJ-UHFFFAOYSA-N 0 0 246.394 4.352 10 0 BIAERN COc1cc(C)cc(-c2ccc(Cl)cc2)c1 ZINC000039258961 384675928 /nfs/dbraw/zinc/67/59/28/384675928.db2.gz UIJJYZMOPKUBDF-UHFFFAOYSA-N 0 0 232.710 4.324 10 0 BIAERN COc1ccccc1-c1ccc(Cl)cc1 ZINC000039258962 384675698 /nfs/dbraw/zinc/67/56/98/384675698.db2.gz MBOXSXIGVXMZDU-UHFFFAOYSA-N 0 0 218.683 4.016 10 0 BIAERN c1ccc(Oc2ccnc3ccccc32)cc1 ZINC000039263876 347189915 /nfs/dbraw/zinc/18/99/15/347189915.db2.gz AIMFUVGFEASGBB-UHFFFAOYSA-N 0 0 221.259 4.027 10 0 BIAERN c1c2ccccc2sc1Cc1ccccc1 ZINC000039279556 384110605 /nfs/dbraw/zinc/11/06/05/384110605.db2.gz ICSJVDUSLIMVNZ-UHFFFAOYSA-N 0 0 224.328 4.492 10 0 BIAERN Clc1cc2ccccc2n1Cc1ccccc1 ZINC000039279563 347960333 /nfs/dbraw/zinc/96/03/33/347960333.db2.gz QYJGCKXEURVTHH-UHFFFAOYSA-N 0 0 241.721 4.343 10 0 BIAERN CC(=O)c1ccc2c(c1)Sc1ccccc1N2 ZINC000039284966 384110442 /nfs/dbraw/zinc/11/04/42/384110442.db2.gz QCDBIYQOJGKFLF-UHFFFAOYSA-N 0 0 241.315 4.097 10 0 BIAERN CSc1nc2ccc3ccccc3c2s1 ZINC000039305591 350334216 /nfs/dbraw/zinc/33/42/16/350334216.db2.gz RNWCZRGHVWNRHE-UHFFFAOYSA-N 0 0 231.345 4.171 10 0 BIAERN Clc1ccc2sc(-c3ccncc3)nc2c1 ZINC000039317757 180588193 /nfs/dbraw/zinc/58/81/93/180588193.db2.gz MSJOXDBWDRAALP-UHFFFAOYSA-N 0 0 246.722 4.012 10 0 BIAERN CCCC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000039347136 359774459 /nfs/dbraw/zinc/77/44/59/359774459.db2.gz WOFALSIAGLLIEF-NSHDSACASA-N 0 0 233.138 4.217 10 0 BIAERN CCCC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000039347137 343124861 /nfs/dbraw/zinc/12/48/61/343124861.db2.gz WOFALSIAGLLIEF-LLVKDONJSA-N 0 0 233.138 4.217 10 0 BIAERN COc1ccc(C(C)(C)C)cc1C(C)(C)C ZINC000039386325 175066814 /nfs/dbraw/zinc/06/68/14/175066814.db2.gz VDXHGRZJSAONIB-UHFFFAOYSA-N 0 0 220.356 4.290 10 0 BIAERN Cc1cc(-c2cccc(Cl)c2C=O)ccc1F ZINC000039416522 368330534 /nfs/dbraw/zinc/33/05/34/368330534.db2.gz KFXWEXZTKJUDPQ-UHFFFAOYSA-N 0 0 248.684 4.267 10 0 BIAERN Cc1ccc2nc(-c3ccc(F)cc3)ccc2c1 ZINC000039426878 384114594 /nfs/dbraw/zinc/11/45/94/384114594.db2.gz LSIHRLRGUNHHHW-UHFFFAOYSA-N 0 0 237.277 4.349 10 0 BIAERN Cc1cc(C)c(C=O)c(-c2ccc(F)c(C)c2)c1 ZINC000039597749 347191710 /nfs/dbraw/zinc/19/17/10/347191710.db2.gz WMZFOMYLKZZFMN-UHFFFAOYSA-N 0 0 242.293 4.230 10 0 BIAERN CCCC[C@H](O)c1ccc2ccccc2c1 ZINC000039602708 360982038 /nfs/dbraw/zinc/98/20/38/360982038.db2.gz IJKAYJMNSCUPRG-HNNXBMFYSA-N 0 0 214.308 4.063 10 0 BIAERN CCCC[C@@H](O)c1ccc2ccccc2c1 ZINC000039602709 360982444 /nfs/dbraw/zinc/98/24/44/360982444.db2.gz IJKAYJMNSCUPRG-OAHLLOKOSA-N 0 0 214.308 4.063 10 0 BIAERN Cn1cc(-c2cc3ccccc3[nH]2)c2ccccc21 ZINC000039617871 343391162 /nfs/dbraw/zinc/39/11/62/343391162.db2.gz VIGIPFIQWURSOJ-UHFFFAOYSA-N 0 0 246.313 4.327 10 0 BIAERN O=Cc1cccc2c1-c1cccc3cccc-2c13 ZINC000039628152 347192219 /nfs/dbraw/zinc/19/22/19/347192219.db2.gz XRQRQDCKWNKQNL-UHFFFAOYSA-N 0 0 230.266 4.300 10 0 BIAERN COc1ccc([C@@H]2CCCc3ccccc32)cc1 ZINC000039643369 368330677 /nfs/dbraw/zinc/33/06/77/368330677.db2.gz DQUHBUPSCAWERK-KRWDZBQOSA-N 0 0 238.330 4.163 10 0 BIAERN COc1ccc([C@H]2CCCc3ccccc32)cc1 ZINC000039643370 368330229 /nfs/dbraw/zinc/33/02/29/368330229.db2.gz DQUHBUPSCAWERK-QGZVFWFLSA-N 0 0 238.330 4.163 10 0 BIAERN Brc1ccccc1SC1CCC1 ZINC000039711888 166103159 /nfs/dbraw/zinc/10/31/59/166103159.db2.gz TUWKNYHPIDWUGA-UHFFFAOYSA-N 0 0 243.169 4.094 10 0 BIAERN Cc1cc(SCC(C)C)nc2ccccc12 ZINC000040166021 178218767 /nfs/dbraw/zinc/21/87/67/178218767.db2.gz NWBGTODGGDRTNB-UHFFFAOYSA-N 0 0 231.364 4.291 10 0 BIAERN Cc1cc(=S)c2cccc(C(C)C)c2[nH]1 ZINC000040175018 351989202 /nfs/dbraw/zinc/98/92/02/351989202.db2.gz QGUFYAGIJJVOCK-UHFFFAOYSA-N 0 0 217.337 4.329 10 0 BIAERN Cc1cc(=S)c2cc(C(C)C)ccc2[nH]1 ZINC000040175020 351989533 /nfs/dbraw/zinc/98/95/33/351989533.db2.gz CYBIMIXDPSOELU-UHFFFAOYSA-N 0 0 217.337 4.329 10 0 BIAERN Cc1cc(Cl)nc2ccc(C(C)C)cc12 ZINC000040175112 178072673 /nfs/dbraw/zinc/07/26/73/178072673.db2.gz ZZOADICZEAUGNQ-UHFFFAOYSA-N 0 0 219.715 4.320 10 0 BIAERN Cc1cc(=S)[nH]c2c1cccc2C(C)C ZINC000040175138 351995528 /nfs/dbraw/zinc/99/55/28/351995528.db2.gz DRTWKSMMMYDHBK-UHFFFAOYSA-N 0 0 217.337 4.329 10 0 BIAERN Cc1cc(=S)[nH]c2ccc(C(C)C)cc12 ZINC000040175140 351995290 /nfs/dbraw/zinc/99/52/90/351995290.db2.gz IRYGFLLZSABRRW-UHFFFAOYSA-N 0 0 217.337 4.329 10 0 BIAERN O[C@@H](/C=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000040176372 183172906 /nfs/dbraw/zinc/17/29/06/183172906.db2.gz ZSCXIIOCESVMDH-VQCVXAJWSA-N 0 0 244.721 4.087 10 0 BIAERN O[C@H](/C=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000040176373 183217591 /nfs/dbraw/zinc/21/75/91/183217591.db2.gz ZSCXIIOCESVMDH-KDHUCADRSA-N 0 0 244.721 4.087 10 0 BIAERN Fc1cccc(NCCCc2ccccc2)c1F ZINC000040230165 181002156 /nfs/dbraw/zinc/00/21/56/181002156.db2.gz LEWGZICVRULTKV-UHFFFAOYSA-N 0 0 247.288 4.010 10 0 BIAERN Cc1ccc([C@H](O)c2cccc(Cl)c2)cc1C ZINC000040241697 352593788 /nfs/dbraw/zinc/59/37/88/352593788.db2.gz BHHHQWCGTKLRPP-OAHLLOKOSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1ccc([C@@H](O)c2cccc(Cl)c2)cc1C ZINC000040241698 386655511 /nfs/dbraw/zinc/65/55/11/386655511.db2.gz BHHHQWCGTKLRPP-HNNXBMFYSA-N 0 0 246.737 4.039 10 0 BIAERN CC(C)(C)[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000040245115 187263759 /nfs/dbraw/zinc/26/37/59/187263759.db2.gz ZQWYLYNXYDRKCQ-INIZCTEOSA-N 0 0 240.346 4.433 10 0 BIAERN Cc1ccc([C@H](O)c2cccc(Cl)c2)c(C)c1 ZINC000040245774 178916214 /nfs/dbraw/zinc/91/62/14/178916214.db2.gz YXZPWTJWESKHMS-OAHLLOKOSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1ccc([C@@H](O)c2cccc(Cl)c2)c(C)c1 ZINC000040245775 386656260 /nfs/dbraw/zinc/65/62/60/386656260.db2.gz YXZPWTJWESKHMS-HNNXBMFYSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1ccc(C)c([C@H](O)c2cccc(Cl)c2)c1 ZINC000040248249 352595130 /nfs/dbraw/zinc/59/51/30/352595130.db2.gz GSICEIMJBDKPML-OAHLLOKOSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1ccc(C)c([C@@H](O)c2cccc(Cl)c2)c1 ZINC000040248250 178497998 /nfs/dbraw/zinc/49/79/98/178497998.db2.gz GSICEIMJBDKPML-HNNXBMFYSA-N 0 0 246.737 4.039 10 0 BIAERN O[C@H](CC1CCCC1)c1ccc(Cl)s1 ZINC000040257861 355885122 /nfs/dbraw/zinc/88/51/22/355885122.db2.gz IGKMLBGOCMAZSD-SECBINFHSA-N 0 0 230.760 4.015 10 0 BIAERN O[C@@H](CC1CCCC1)c1ccc(Cl)s1 ZINC000040257863 355885145 /nfs/dbraw/zinc/88/51/45/355885145.db2.gz IGKMLBGOCMAZSD-VIFPVBQESA-N 0 0 230.760 4.015 10 0 BIAERN CC(C)Oc1ccc([C@H](O)C2CCCCC2)cc1 ZINC000040258021 167301474 /nfs/dbraw/zinc/30/14/74/167301474.db2.gz PVHMFYAZPKLTIA-MRXNPFEDSA-N 0 0 248.366 4.088 10 0 BIAERN CC(C)Oc1ccc([C@@H](O)C2CCCCC2)cc1 ZINC000040258022 167299316 /nfs/dbraw/zinc/29/93/16/167299316.db2.gz PVHMFYAZPKLTIA-INIZCTEOSA-N 0 0 248.366 4.088 10 0 BIAERN CC[C@@H](C)[C@H](O)c1cc(Cl)ccc1Cl ZINC000040260577 373138060 /nfs/dbraw/zinc/13/80/60/373138060.db2.gz SSMASISYIDFDRD-HQJQHLMTSA-N 0 0 233.138 4.073 10 0 BIAERN CC[C@H](C)[C@H](O)c1cc(Cl)ccc1Cl ZINC000040260578 373138696 /nfs/dbraw/zinc/13/86/96/373138696.db2.gz SSMASISYIDFDRD-CPCISQLKSA-N 0 0 233.138 4.073 10 0 BIAERN CC[C@@H](C)[C@@H](O)c1cc(Cl)ccc1Cl ZINC000040260579 373137879 /nfs/dbraw/zinc/13/78/79/373137879.db2.gz SSMASISYIDFDRD-RDDDGLTNSA-N 0 0 233.138 4.073 10 0 BIAERN CC[C@H](C)[C@@H](O)c1cc(Cl)ccc1Cl ZINC000040260580 373138732 /nfs/dbraw/zinc/13/87/32/373138732.db2.gz SSMASISYIDFDRD-WRWORJQWSA-N 0 0 233.138 4.073 10 0 BIAERN CCCC[C@H](O)c1cc(Cl)ccc1Cl ZINC000040260609 373138442 /nfs/dbraw/zinc/13/84/42/373138442.db2.gz ZXTDOFJAEVOBFN-NSHDSACASA-N 0 0 233.138 4.217 10 0 BIAERN CCCC[C@@H](O)c1cc(Cl)ccc1Cl ZINC000040260610 373137757 /nfs/dbraw/zinc/13/77/57/373137757.db2.gz ZXTDOFJAEVOBFN-LLVKDONJSA-N 0 0 233.138 4.217 10 0 BIAERN CC(C)C[C@H](O)c1cc(Cl)sc1Cl ZINC000040260759 373139826 /nfs/dbraw/zinc/13/98/26/373139826.db2.gz ZBRJQTZJPJJRHM-ZETCQYMHSA-N 0 0 239.167 4.134 10 0 BIAERN CC(C)C[C@@H](O)c1cc(Cl)sc1Cl ZINC000040260760 373140192 /nfs/dbraw/zinc/14/01/92/373140192.db2.gz ZBRJQTZJPJJRHM-SSDOTTSWSA-N 0 0 239.167 4.134 10 0 BIAERN CC(C)c1ccc([C@H](O)c2ccccc2F)cc1 ZINC000040263803 352595154 /nfs/dbraw/zinc/59/51/54/352595154.db2.gz MGFNYTQWCISSKA-INIZCTEOSA-N 0 0 244.309 4.031 10 0 BIAERN CC(C)c1ccc([C@@H](O)c2ccccc2F)cc1 ZINC000040263804 167614369 /nfs/dbraw/zinc/61/43/69/167614369.db2.gz MGFNYTQWCISSKA-MRXNPFEDSA-N 0 0 244.309 4.031 10 0 BIAERN Cc1cc(N(C)c2ccccc2)nc2ccccc12 ZINC000040400858 178102507 /nfs/dbraw/zinc/10/25/07/178102507.db2.gz VLRJYAGMXALSRC-UHFFFAOYSA-N 0 0 248.329 4.311 10 0 BIAERN Cn1c2ccc(Cl)cc2nc1C1CCCCC1 ZINC000040417053 180616815 /nfs/dbraw/zinc/61/68/15/180616815.db2.gz QDFTWFSHACISHN-UHFFFAOYSA-N 0 0 248.757 4.274 10 0 BIAERN CCn1c2ccc(Cl)cc2nc1C(C)(C)C ZINC000040417193 172134187 /nfs/dbraw/zinc/13/41/87/172134187.db2.gz NWOZPUILKKSMIB-UHFFFAOYSA-N 0 0 236.746 4.007 10 0 BIAERN CCn1c2cc(Cl)ccc2nc1C(C)(C)C ZINC000040417194 172134691 /nfs/dbraw/zinc/13/46/91/172134691.db2.gz MKXILVGKVKPCMA-UHFFFAOYSA-N 0 0 236.746 4.007 10 0 BIAERN CC(C)c1nc2ccc(Cl)cc2n1C(C)C ZINC000040417342 167681016 /nfs/dbraw/zinc/68/10/16/167681016.db2.gz XJGWBZCYYTXZKV-UHFFFAOYSA-N 0 0 236.746 4.394 10 0 BIAERN CC(C)Cn1c2c(cccc2Cl)nc1C1CC1 ZINC000040417651 188292257 /nfs/dbraw/zinc/29/22/57/188292257.db2.gz MSOHPSSECDMANK-UHFFFAOYSA-N 0 0 248.757 4.223 10 0 BIAERN COc1ccc2cc(-c3cccnc3)c(C)cc2c1 ZINC000040424229 175223491 /nfs/dbraw/zinc/22/34/91/175223491.db2.gz YGFDDQOJFLQBKT-UHFFFAOYSA-N 0 0 249.313 4.219 10 0 in-vivo BIAERN Cc1ccc([C@H](O)c2ccccc2Cl)cc1C ZINC000040451642 352597141 /nfs/dbraw/zinc/59/71/41/352597141.db2.gz YLAIRZAHNCMNJB-HNNXBMFYSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1ccc([C@@H](O)c2ccccc2Cl)cc1C ZINC000040451643 178868789 /nfs/dbraw/zinc/86/87/89/178868789.db2.gz YLAIRZAHNCMNJB-OAHLLOKOSA-N 0 0 246.737 4.039 10 0 BIAERN CCOc1ccc(/C=C/c2ccccc2)cc1 ZINC000040567616 358239575 /nfs/dbraw/zinc/23/95/75/358239575.db2.gz RLRCWQWSORLJCF-CMDGGOBGSA-N 0 0 224.303 4.256 10 0 BIAERN COc1ccc(/C=C/c2cccc(C)c2)cc1 ZINC000040568034 175047960 /nfs/dbraw/zinc/04/79/60/175047960.db2.gz NNMOKTAHHMPZFP-VOTSOKGWSA-N 0 0 224.303 4.174 10 0 BIAERN COc1ccc(/C=C/c2cccc(F)c2)cc1 ZINC000040575343 175048180 /nfs/dbraw/zinc/04/81/80/175048180.db2.gz DDBIHJHDKFEUKQ-AATRIKPKSA-N 0 0 228.266 4.005 10 0 BIAERN Cc1cccc(Sc2ccc(N)cc2Cl)c1 ZINC000040695780 179176984 /nfs/dbraw/zinc/17/69/84/179176984.db2.gz YXRNZGJVZIUIHW-UHFFFAOYSA-N 0 0 249.766 4.382 10 0 BIAERN Cc1cccc(Sc2ccc(C)cc2N)c1 ZINC000040695802 358246042 /nfs/dbraw/zinc/24/60/42/358246042.db2.gz YTCJOSQKOAGXPP-UHFFFAOYSA-N 0 0 229.348 4.037 10 0 BIAERN Fc1cccc(Sc2ccccc2Cl)n1 ZINC000040712380 373631978 /nfs/dbraw/zinc/63/19/78/373631978.db2.gz CTSUEANCQKWMBA-UHFFFAOYSA-N 0 0 239.702 4.025 10 0 BIAERN CCC/C=C\CC/C=C/C=C/C(=O)NCC(C)C ZINC000040866910 188118041 /nfs/dbraw/zinc/11/80/41/188118041.db2.gz BIALAUUMSWBKIU-AYDIKMHNSA-N 0 0 249.398 4.008 10 0 BIAERN CC(C)=CC(=O)Oc1ccc(C)cc1C(C)(C)C ZINC000040882731 187264587 /nfs/dbraw/zinc/26/45/87/187264587.db2.gz OIYLOFUTHNAKNR-UHFFFAOYSA-N 0 0 246.350 4.164 10 0 BIAERN Nc1ccc(-c2csc(C3CCCC3)n2)cc1 ZINC000040887203 181695290 /nfs/dbraw/zinc/69/52/90/181695290.db2.gz JZJQVQWVZVYAOT-UHFFFAOYSA-N 0 0 244.363 4.050 10 0 BIAERN CC[C@@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000040930101 373933626 /nfs/dbraw/zinc/93/36/26/373933626.db2.gz QJIGAGRWYLROSI-SSDOTTSWSA-N 0 0 231.122 4.222 10 0 BIAERN CC[C@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000040930104 373934051 /nfs/dbraw/zinc/93/40/51/373934051.db2.gz QJIGAGRWYLROSI-ZETCQYMHSA-N 0 0 231.122 4.222 10 0 BIAERN CC(C)CC(=O)c1ccc(Cl)cc1Cl ZINC000040930110 373933723 /nfs/dbraw/zinc/93/37/23/373933723.db2.gz UFXOVCMSAOTSRL-UHFFFAOYSA-N 0 0 231.122 4.222 10 0 BIAERN Nc1ccccc1-c1ccc(Cl)cc1Cl ZINC000040940975 360914696 /nfs/dbraw/zinc/91/46/96/360914696.db2.gz JHEBVXZGMJNMPR-UHFFFAOYSA-N 0 0 238.117 4.243 10 0 BIAERN CC(C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000040941144 360913630 /nfs/dbraw/zinc/91/36/30/360913630.db2.gz BMOWBXGJVLZVCW-NSHDSACASA-N 0 0 233.138 4.073 10 0 BIAERN CC(C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000040941145 360914062 /nfs/dbraw/zinc/91/40/62/360914062.db2.gz BMOWBXGJVLZVCW-LLVKDONJSA-N 0 0 233.138 4.073 10 0 BIAERN COc1ccc2cc(-c3cnccc3C)ccc2c1 ZINC000040976977 175223878 /nfs/dbraw/zinc/22/38/78/175223878.db2.gz DBZOUPBQQHJUKL-UHFFFAOYSA-N 0 0 249.313 4.219 10 0 in-vivo BIAERN Fc1ccc(C2=C(c3ccncc3)CCC2)cc1 ZINC000040980434 180963095 /nfs/dbraw/zinc/96/30/95/180963095.db2.gz ARGQQNXCNPXUIJ-UHFFFAOYSA-N 0 0 239.293 4.315 10 0 BIAERN CCc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 ZINC000041005836 352600295 /nfs/dbraw/zinc/60/02/95/352600295.db2.gz DIHBVZFOGTZOQN-UHFFFAOYSA-N 0 0 236.318 4.101 10 0 BIAERN Nc1ccc(Cl)c(-c2ccc(Cl)s2)c1 ZINC000041048998 361188853 /nfs/dbraw/zinc/18/88/53/361188853.db2.gz TYCLSMMRZQVJAV-UHFFFAOYSA-N 0 0 244.146 4.304 10 0 BIAERN Nc1ccccc1-c1cc(Cl)sc1Cl ZINC000041049057 361188648 /nfs/dbraw/zinc/18/86/48/361188648.db2.gz ZIQBVHXJXWDXRF-UHFFFAOYSA-N 0 0 244.146 4.304 10 0 BIAERN Nc1cccc(-c2cc(Cl)sc2Cl)c1 ZINC000041049063 361188955 /nfs/dbraw/zinc/18/89/55/361188955.db2.gz FZOFCVKJCQWLLO-UHFFFAOYSA-N 0 0 244.146 4.304 10 0 BIAERN CC(C)(C)CNc1ccccc1C(F)(F)F ZINC000041051082 166592838 /nfs/dbraw/zinc/59/28/38/166592838.db2.gz VWDQBOVQOQFGDD-UHFFFAOYSA-N 0 0 231.261 4.163 10 0 BIAERN CC(C)c1ccccc1NCC(C)(C)C ZINC000041051087 167641819 /nfs/dbraw/zinc/64/18/19/167641819.db2.gz XYUJLHCQVQHOSY-UHFFFAOYSA-N 0 0 205.345 4.268 10 0 BIAERN Cc1cccc2c(Nc3ccccc3)ccnc12 ZINC000041055135 179212612 /nfs/dbraw/zinc/21/26/12/179212612.db2.gz FQLGWGSEFXQVMH-UHFFFAOYSA-N 0 0 234.302 4.287 10 0 BIAERN Cc1cccc(Nc2ccnc3ccccc32)c1 ZINC000041055543 179159348 /nfs/dbraw/zinc/15/93/48/179159348.db2.gz ANBORHHFCZAFSF-UHFFFAOYSA-N 0 0 234.302 4.287 10 0 BIAERN Cc1ccc2[nH]c(-c3cc(C)ccc3C)nc2c1 ZINC000041066099 384607849 /nfs/dbraw/zinc/60/78/49/384607849.db2.gz UHNRICNTRULRQU-UHFFFAOYSA-N 0 0 236.318 4.155 10 0 BIAERN Cc1ccc2[nH]c(-c3ccc(C)cc3C)nc2c1 ZINC000041066107 178337235 /nfs/dbraw/zinc/33/72/35/178337235.db2.gz IKRLEYUTTLXWRG-UHFFFAOYSA-N 0 0 236.318 4.155 10 0 BIAERN Cc1cc(C(=O)c2ccccc2F)ccc1Cl ZINC000041144710 388431769 /nfs/dbraw/zinc/43/17/69/388431769.db2.gz VLVWCWXFVWCZQO-UHFFFAOYSA-N 0 0 248.684 4.019 10 0 BIAERN CC(C)c1ccc(SC(F)F)cc1 ZINC000041211183 641542476 /nfs/dbraw/zinc/54/24/76/641542476.db2.gz PIFSWRKBPAMLCR-UHFFFAOYSA-N 0 0 202.269 4.125 10 0 BIAERN Cc1ccc(Cl)cc1NCC(C)(C)C ZINC000041226010 187429436 /nfs/dbraw/zinc/42/94/36/187429436.db2.gz QEECAJOJKNZDBX-UHFFFAOYSA-N 0 0 211.736 4.106 10 0 BIAERN CC(C)(C)c1ccc(SC(F)F)cc1 ZINC000041229093 187945624 /nfs/dbraw/zinc/94/56/24/187945624.db2.gz MTXKMWWIBYZYSG-UHFFFAOYSA-N 0 0 216.296 4.299 10 0 BIAERN CC(C)c1ccccc1NCC1CCCC1 ZINC000041230505 167640756 /nfs/dbraw/zinc/64/07/56/167640756.db2.gz RTYZVHIUXWMVDF-UHFFFAOYSA-N 0 0 217.356 4.412 10 0 BIAERN Cc1ccc(-c2ccc(Cl)nc2)c(C)c1 ZINC000041230805 582683499 /nfs/dbraw/zinc/68/34/99/582683499.db2.gz UTEOANIRRYYGOP-UHFFFAOYSA-N 0 0 217.699 4.019 10 0 BIAERN CCC(=O)CCCc1ccc(C(C)C)cc1 ZINC000041231721 168200869 /nfs/dbraw/zinc/20/08/69/168200869.db2.gz DAAOLNWGVCIRON-UHFFFAOYSA-N 0 0 218.340 4.112 10 0 BIAERN Cc1ccc(-c2csc(Cl)n2)cc1C ZINC000041243733 178329928 /nfs/dbraw/zinc/32/99/28/178329928.db2.gz RQYVWZKDUZHTOF-UHFFFAOYSA-N 0 0 223.728 4.080 10 0 BIAERN Cc1c(Cl)cccc1NCC1CCCC1 ZINC000041243763 177602504 /nfs/dbraw/zinc/60/25/04/177602504.db2.gz QJMZPXOHKDYSMU-UHFFFAOYSA-N 0 0 223.747 4.251 10 0 BIAERN Cc1ccc(NCC2CCCC2)cc1Cl ZINC000041243772 187804103 /nfs/dbraw/zinc/80/41/03/187804103.db2.gz CSMQULNVWLUEGE-UHFFFAOYSA-N 0 0 223.747 4.251 10 0 BIAERN Clc1cccc(-c2ccc(Cl)nc2)c1 ZINC000041243838 180588202 /nfs/dbraw/zinc/58/82/02/180588202.db2.gz FHJFIVNCNGYGCY-UHFFFAOYSA-N 0 0 224.090 4.055 10 0 BIAERN Clc1ccc(-c2cccnc2Cl)cc1 ZINC000041243844 180577636 /nfs/dbraw/zinc/57/76/36/180577636.db2.gz SDBHNWDLEAPJDE-UHFFFAOYSA-N 0 0 224.090 4.055 10 0 BIAERN CCCC(=O)CCCc1ccccc1Cl ZINC000041245150 187458992 /nfs/dbraw/zinc/45/89/92/187458992.db2.gz GKDZUVUYGDOZJV-UHFFFAOYSA-N 0 0 224.731 4.032 10 0 BIAERN CCCC(=O)CCCc1cccc(Cl)c1 ZINC000041245159 187458928 /nfs/dbraw/zinc/45/89/28/187458928.db2.gz GAKVOMLHJIVAKF-UHFFFAOYSA-N 0 0 224.731 4.032 10 0 BIAERN CCCC(=O)CCCc1ccc(Cl)cc1 ZINC000041245168 188322496 /nfs/dbraw/zinc/32/24/96/188322496.db2.gz UHPVJDLMAVZIMO-UHFFFAOYSA-N 0 0 224.731 4.032 10 0 BIAERN Fc1ccc(NCC2CCCC2)cc1Cl ZINC000041249126 180976249 /nfs/dbraw/zinc/97/62/49/180976249.db2.gz PSVRUOAUGMBZBU-UHFFFAOYSA-N 0 0 227.710 4.081 10 0 BIAERN CC(C)c1ccc(C[C@@H]2CCCCC2=O)cc1 ZINC000041256503 358267886 /nfs/dbraw/zinc/26/78/86/358267886.db2.gz DDDRYFOZZDZALO-HNNXBMFYSA-N 0 0 230.351 4.112 10 0 BIAERN CC(C)c1ccc(C[C@H]2CCCCC2=O)cc1 ZINC000041256505 358267828 /nfs/dbraw/zinc/26/78/28/358267828.db2.gz DDDRYFOZZDZALO-OAHLLOKOSA-N 0 0 230.351 4.112 10 0 BIAERN Cc1ccc(-c2ccc(Cl)c(N)c2)cc1C ZINC000041258385 178324636 /nfs/dbraw/zinc/32/46/36/178324636.db2.gz AJZUJRAKXYPIQR-UHFFFAOYSA-N 0 0 231.726 4.206 10 0 BIAERN Cc1ccc(-c2ccc(Cl)c(N)c2)c(C)c1 ZINC000041258387 178324773 /nfs/dbraw/zinc/32/47/73/178324773.db2.gz NVPQKJXRAXNJFG-UHFFFAOYSA-N 0 0 231.726 4.206 10 0 BIAERN CC(C)(C)CNc1cc(Cl)ccc1Cl ZINC000041258410 166592082 /nfs/dbraw/zinc/59/20/82/166592082.db2.gz JXHSEWBJOFEURA-UHFFFAOYSA-N 0 0 232.154 4.451 10 0 BIAERN CCC(=O)CCCc1ccc(C(C)(C)C)cc1 ZINC000041259609 168199991 /nfs/dbraw/zinc/19/99/91/168199991.db2.gz GZOQPQKURBWKDL-UHFFFAOYSA-N 0 0 232.367 4.286 10 0 BIAERN CCC(=O)[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000041259623 168250894 /nfs/dbraw/zinc/25/08/94/168250894.db2.gz RTYFPHRPGCPFFY-LBPRGKRZSA-N 0 0 232.367 4.142 10 0 BIAERN CCC(=O)[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000041259625 168252481 /nfs/dbraw/zinc/25/24/81/168252481.db2.gz RTYFPHRPGCPFFY-GFCCVEGCSA-N 0 0 232.367 4.142 10 0 BIAERN CC(C)Oc1ccc(NCC2CCCC2)cc1 ZINC000041261308 187264921 /nfs/dbraw/zinc/26/49/21/187264921.db2.gz ADFOGCZWGNNMRX-UHFFFAOYSA-N 0 0 233.355 4.076 10 0 BIAERN CCCCOc1ccc(C(=O)CC(C)C)cc1 ZINC000041263246 168916519 /nfs/dbraw/zinc/91/65/19/168916519.db2.gz GXLKFLUJBQLERT-UHFFFAOYSA-N 0 0 234.339 4.094 10 0 BIAERN c1cn(CCCc2ccccc2)c2ccccc12 ZINC000041267107 183392370 /nfs/dbraw/zinc/39/23/70/183392370.db2.gz MLDRHFMFIOZUDG-UHFFFAOYSA-N 0 0 235.330 4.274 10 0 BIAERN Clc1ccc(-c2csc(Cl)n2)s1 ZINC000041268715 374127194 /nfs/dbraw/zinc/12/71/94/374127194.db2.gz AXOJBOHLFAOQJB-UHFFFAOYSA-N 0 0 236.148 4.178 10 0 BIAERN CCc1ccc(-c2ccc3c(c2)C(=O)CC3)cc1 ZINC000041270802 171778331 /nfs/dbraw/zinc/77/83/31/171778331.db2.gz SNJPQNHMCCBHDD-UHFFFAOYSA-N 0 0 236.314 4.045 10 0 BIAERN Cc1ccc(-c2ccc3c(c2)C(=O)CC3)cc1C ZINC000041270812 178325326 /nfs/dbraw/zinc/32/53/26/178325326.db2.gz PPMYQCFKNOISLK-UHFFFAOYSA-N 0 0 236.314 4.099 10 0 BIAERN Cc1ccc(-c2ccc3c(c2)C(=O)CC3)c(C)c1 ZINC000041270816 178325473 /nfs/dbraw/zinc/32/54/73/178325473.db2.gz BWVVDLSWWBZODA-UHFFFAOYSA-N 0 0 236.314 4.099 10 0 BIAERN Cc1ccc(C)c(-c2ccc3c(c2)CCCN3)c1 ZINC000041279187 178460664 /nfs/dbraw/zinc/46/06/64/178460664.db2.gz JGYPLNVIZQJSDK-UHFFFAOYSA-N 0 0 237.346 4.329 10 0 BIAERN Cc1ccc(-c2ccc3c(c2)CCCN3)cc1C ZINC000041279191 178325466 /nfs/dbraw/zinc/32/54/66/178325466.db2.gz UBGMZSPXSPRZRK-UHFFFAOYSA-N 0 0 237.346 4.329 10 0 BIAERN Cc1ccc(-c2ccc3c(c2)CCCN3)c(C)c1 ZINC000041279194 178325666 /nfs/dbraw/zinc/32/56/66/178325666.db2.gz PIDSKUWACITDNJ-UHFFFAOYSA-N 0 0 237.346 4.329 10 0 BIAERN CCCc1ccc(-c2csc(Cl)n2)cc1 ZINC000041279564 374127117 /nfs/dbraw/zinc/12/71/17/374127117.db2.gz QYPPQPCQGBQMCY-UHFFFAOYSA-N 0 0 237.755 4.416 10 0 BIAERN Cc1ccccc1CCCC(=O)c1ccccc1 ZINC000041280476 179261790 /nfs/dbraw/zinc/26/17/90/179261790.db2.gz FEACFBUSSJHQCB-UHFFFAOYSA-N 0 0 238.330 4.201 10 0 BIAERN Cc1cccc(CCCC(=O)c2ccccc2)c1 ZINC000041280479 179054482 /nfs/dbraw/zinc/05/44/82/179054482.db2.gz RHUHIKPRYKLJTE-UHFFFAOYSA-N 0 0 238.330 4.201 10 0 BIAERN CC(=O)c1cncc(-c2ccc(C(C)C)cc2)c1 ZINC000041282227 636981716 /nfs/dbraw/zinc/98/17/16/636981716.db2.gz WIAXUZXKZTWJCT-UHFFFAOYSA-N 0 0 239.318 4.075 10 0 BIAERN O=C1CCCc2ccc(-c3cccc(F)c3)cc21 ZINC000041283526 358282125 /nfs/dbraw/zinc/28/21/25/358282125.db2.gz IEHUFZUQQXAQNM-UHFFFAOYSA-N 0 0 240.277 4.012 10 0 BIAERN COc1ccc(-c2ccc(C(C)C)cc2)cc1N ZINC000041285347 175033361 /nfs/dbraw/zinc/03/33/61/175033361.db2.gz WEXWIUKHIYRQIR-UHFFFAOYSA-N 0 0 241.334 4.068 10 0 BIAERN CCCC(=O)CCCc1c(F)cccc1Cl ZINC000041287618 187459581 /nfs/dbraw/zinc/45/95/81/187459581.db2.gz CHQPWWOWMKAEGH-UHFFFAOYSA-N 0 0 242.721 4.171 10 0 BIAERN FC(F)(F)c1ccccc1NCC1CCCC1 ZINC000041288333 180895602 /nfs/dbraw/zinc/89/56/02/180895602.db2.gz KQONEVWWFOZQED-UHFFFAOYSA-N 0 0 243.272 4.308 10 0 BIAERN FC(F)(F)c1ccc(NCC2CCCC2)cc1 ZINC000041288339 180893290 /nfs/dbraw/zinc/89/32/90/180893290.db2.gz AFSZUQWPTBSRMK-UHFFFAOYSA-N 0 0 243.272 4.308 10 0 BIAERN CC(C)(C)c1ccc(C[C@@H]2CCCCC2=O)cc1 ZINC000041291236 358282837 /nfs/dbraw/zinc/28/28/37/358282837.db2.gz GBAPWBYMFIZBFW-AWEZNQCLSA-N 0 0 244.378 4.286 10 0 BIAERN CCC(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000041291878 168251317 /nfs/dbraw/zinc/25/13/17/168251317.db2.gz UJVLRNGAJIRRBK-QMMMGPOBSA-N 0 0 245.149 4.151 10 0 BIAERN CCC(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000041291881 168252652 /nfs/dbraw/zinc/25/26/52/168252652.db2.gz UJVLRNGAJIRRBK-MRVPVSSYSA-N 0 0 245.149 4.151 10 0 BIAERN CCC(=O)[C@@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000041291884 168251664 /nfs/dbraw/zinc/25/16/64/168251664.db2.gz REHWSHFVTSUWRW-QMMMGPOBSA-N 0 0 245.149 4.151 10 0 BIAERN CCC(=O)[C@H](C)Cc1ccc(Cl)c(Cl)c1 ZINC000041291887 168252724 /nfs/dbraw/zinc/25/27/24/168252724.db2.gz REHWSHFVTSUWRW-MRVPVSSYSA-N 0 0 245.149 4.151 10 0 BIAERN CCCOc1ccc(C(=O)C2CCCCC2)cc1 ZINC000041297675 169317164 /nfs/dbraw/zinc/31/71/64/169317164.db2.gz FPLWHSNSDJXZRR-UHFFFAOYSA-N 0 0 246.350 4.238 10 0 BIAERN C[C@H](Sc1ccccc1N)c1ccccc1 ZINC000041570175 177029337 /nfs/dbraw/zinc/02/93/37/177029337.db2.gz UABGMWJXEIYOSR-NSHDSACASA-N 0 0 229.348 4.122 10 0 BIAERN C[C@@H](Sc1ccccc1N)c1ccccc1 ZINC000041570177 176009851 /nfs/dbraw/zinc/00/98/51/176009851.db2.gz UABGMWJXEIYOSR-LLVKDONJSA-N 0 0 229.348 4.122 10 0 BIAERN CC(C)CCNc1c(Cl)cccc1Cl ZINC000041571472 166867861 /nfs/dbraw/zinc/86/78/61/166867861.db2.gz NELMQCABAPVHBG-UHFFFAOYSA-N 0 0 232.154 4.451 10 0 BIAERN CC(C)CNc1c(Cl)cccc1Cl ZINC000041571474 167014657 /nfs/dbraw/zinc/01/46/57/167014657.db2.gz FWRJWGBCFKNLOA-UHFFFAOYSA-N 0 0 218.127 4.061 10 0 BIAERN CCCCCNc1c(C)cccc1CC ZINC000041578664 168721203 /nfs/dbraw/zinc/72/12/03/168721203.db2.gz AKBMDKCTFDYXKN-UHFFFAOYSA-N 0 0 205.345 4.160 10 0 BIAERN CCc1cccc(C)c1NCCC(C)C ZINC000041578668 171854108 /nfs/dbraw/zinc/85/41/08/171854108.db2.gz WJZJRJAENMSYFV-UHFFFAOYSA-N 0 0 205.345 4.015 10 0 BIAERN CCCNc1ccc(OCc2ccccc2)cc1 ZINC000041579066 169294547 /nfs/dbraw/zinc/29/45/47/169294547.db2.gz UBUXZFVTPVDBMG-UHFFFAOYSA-N 0 0 241.334 4.088 10 0 BIAERN CC(C)c1csc2nc(Cl)nc(Cl)c21 ZINC000041582561 167654052 /nfs/dbraw/zinc/65/40/52/167654052.db2.gz ZMWIFZKOLAALJS-UHFFFAOYSA-N 0 0 247.150 4.122 10 0 BIAERN Clc1ncc2c(-c3ccccc3)csc2n1 ZINC000041627674 180601717 /nfs/dbraw/zinc/60/17/17/180601717.db2.gz YQPQWOIBIBSBNW-UHFFFAOYSA-N 0 0 246.722 4.012 10 0 BIAERN CCNc1nc2cc(Cl)cc(Cl)c2s1 ZINC000041651435 170177775 /nfs/dbraw/zinc/17/77/75/170177775.db2.gz SJRQTCDJFNNRFJ-UHFFFAOYSA-N 0 0 247.150 4.035 10 0 BIAERN Cc1ccc(-c2cc(C=O)ccc2C)cc1C ZINC000041660858 178320437 /nfs/dbraw/zinc/32/04/37/178320437.db2.gz OEJMTDITZCCFBS-UHFFFAOYSA-N 0 0 224.303 4.091 10 0 BIAERN Cc1ccc(-c2ccc(N)cc2Cl)cc1C ZINC000041660882 178325701 /nfs/dbraw/zinc/32/57/01/178325701.db2.gz UKTBWTMCPQEAFH-UHFFFAOYSA-N 0 0 231.726 4.206 10 0 BIAERN Cc1ccc(-c2cc(Cl)ccc2O)cc1C ZINC000041660888 178321206 /nfs/dbraw/zinc/32/12/06/178321206.db2.gz JFOLFOHFCUQFLP-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2ccc(O)c(Cl)c2)cc1C ZINC000041660894 178325304 /nfs/dbraw/zinc/32/53/04/178325304.db2.gz XDTHMCPNOZBGMG-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN CCc1cccc2c(Cl)c(Cl)cnc12 ZINC000041702276 171867484 /nfs/dbraw/zinc/86/74/84/171867484.db2.gz NBCVGQAWSGTHPY-UHFFFAOYSA-N 0 0 226.106 4.104 10 0 BIAERN Clc1ccc2ncc(Cl)c(Cl)c2c1 ZINC000041702321 374178362 /nfs/dbraw/zinc/17/83/62/374178362.db2.gz QPOXFNZNEZZISE-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN Clc1cccc2c(Cl)c(Cl)cnc12 ZINC000041702327 374178668 /nfs/dbraw/zinc/17/86/68/374178668.db2.gz MWSSGTREQLOARH-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN Cc1cc(C)c2c(Cl)c(Cl)cnc2c1 ZINC000041702389 177878920 /nfs/dbraw/zinc/87/89/20/177878920.db2.gz VDSQLESFYZOQFO-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN Cc1cc2ncc(Cl)c(Cl)c2cc1C ZINC000041702404 178304089 /nfs/dbraw/zinc/30/40/89/178304089.db2.gz YZUFDVRQHTYSJO-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN Cc1cc(C)c2ncc(Cl)c(Cl)c2c1 ZINC000041702412 177886943 /nfs/dbraw/zinc/88/69/43/177886943.db2.gz CKPDEJJEMZIOAX-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN CC(C)[C@H](Nc1nccs1)c1cccs1 ZINC000042210443 188323691 /nfs/dbraw/zinc/32/36/91/188323691.db2.gz FYWLMEONRHDOPY-JTQLQIEISA-N 0 0 238.381 4.014 10 0 BIAERN Cc1ccc(C)n1[C@H](C)c1ccccc1C ZINC000042228231 179323697 /nfs/dbraw/zinc/32/36/97/179323697.db2.gz YPZISSWBWZRSLJ-CQSZACIVSA-N 0 0 213.324 4.023 10 0 BIAERN Cc1ccc(C)n1[C@@H](C)c1ccccc1C ZINC000042228235 179340770 /nfs/dbraw/zinc/34/07/70/179340770.db2.gz YPZISSWBWZRSLJ-AWEZNQCLSA-N 0 0 213.324 4.023 10 0 BIAERN Cc1ccccc1[C@@H](C)Nc1ncccc1Cl ZINC000042228486 179322729 /nfs/dbraw/zinc/32/27/29/179322729.db2.gz NKYZJYLBTJTQDB-LLVKDONJSA-N 0 0 246.741 4.217 10 0 BIAERN Cc1ccccc1[C@H](C)Nc1ncccc1Cl ZINC000042228489 179340049 /nfs/dbraw/zinc/34/00/49/179340049.db2.gz NKYZJYLBTJTQDB-NSHDSACASA-N 0 0 246.741 4.217 10 0 BIAERN Cc1cccc(CNc2ccc(F)cc2C)c1C ZINC000042243984 178090231 /nfs/dbraw/zinc/09/02/31/178090231.db2.gz OKBBJGKSHLNXIJ-UHFFFAOYSA-N 0 0 243.325 4.363 10 0 BIAERN C[C@H](Nc1nccs1)c1ccc(Cl)s1 ZINC000042249912 361973228 /nfs/dbraw/zinc/97/32/28/361973228.db2.gz UOEPSNKTLWAUIM-LURJTMIESA-N 0 0 244.772 4.031 10 0 BIAERN C[C@@H](Nc1nccs1)c1ccc(Cl)s1 ZINC000042249917 361972809 /nfs/dbraw/zinc/97/28/09/361972809.db2.gz UOEPSNKTLWAUIM-ZCFIWIBFSA-N 0 0 244.772 4.031 10 0 BIAERN CC[C@H]1CCCC[C@H]1O[C@@H](C)c1cccc(N)c1 ZINC000042288360 171612756 /nfs/dbraw/zinc/61/27/56/171612756.db2.gz GESIQHODWYSPOF-HEHGZKQESA-N 0 0 247.382 4.315 10 0 BIAERN C[C@@H](O[C@@H](C)c1cccc(N)c1)c1ccccc1 ZINC000042288395 177021712 /nfs/dbraw/zinc/02/17/12/177021712.db2.gz LNCOGSHAUXAAQW-OLZOCXBDSA-N 0 0 241.334 4.108 10 0 BIAERN C[C@@H](O[C@@H](C)c1ccccc1)c1cccc(N)c1 ZINC000042288397 177021802 /nfs/dbraw/zinc/02/18/02/177021802.db2.gz LNCOGSHAUXAAQW-QWHCGFSZSA-N 0 0 241.334 4.108 10 0 BIAERN C[C@@H](O[C@H](C)c1cccc(N)c1)c1ccccc1 ZINC000042288399 176003055 /nfs/dbraw/zinc/00/30/55/176003055.db2.gz LNCOGSHAUXAAQW-CHWSQXEVSA-N 0 0 241.334 4.108 10 0 BIAERN C[C@H](OC1CCCCCC1)c1cccc(N)c1 ZINC000042288408 177020210 /nfs/dbraw/zinc/02/02/10/177020210.db2.gz BZUGWIQIUMIXFH-LBPRGKRZSA-N 0 0 233.355 4.069 10 0 BIAERN C[C@@H](OC1CCCCCC1)c1cccc(N)c1 ZINC000042288410 176002238 /nfs/dbraw/zinc/00/22/38/176002238.db2.gz BZUGWIQIUMIXFH-GFCCVEGCSA-N 0 0 233.355 4.069 10 0 BIAERN CC[C@H]1CCCC[C@H]1O[C@@H](C)c1ccc(N)cc1 ZINC000042288434 171612543 /nfs/dbraw/zinc/61/25/43/171612543.db2.gz XVTPTHAQPWDASF-HEHGZKQESA-N 0 0 247.382 4.315 10 0 BIAERN C[C@H](O[C@@H](C)c1ccc(N)cc1)c1ccccc1 ZINC000042288469 177021755 /nfs/dbraw/zinc/02/17/55/177021755.db2.gz UKXKMSIDBNYWPV-STQMWFEESA-N 0 0 241.334 4.108 10 0 BIAERN C[C@@H](O[C@@H](C)c1ccc(N)cc1)c1ccccc1 ZINC000042288471 177021648 /nfs/dbraw/zinc/02/16/48/177021648.db2.gz UKXKMSIDBNYWPV-OLZOCXBDSA-N 0 0 241.334 4.108 10 0 BIAERN C[C@@H](O[C@@H](C)c1ccccc1)c1ccc(N)cc1 ZINC000042288473 177021657 /nfs/dbraw/zinc/02/16/57/177021657.db2.gz UKXKMSIDBNYWPV-QWHCGFSZSA-N 0 0 241.334 4.108 10 0 BIAERN C[C@@H](O[C@H](C)c1ccc(N)cc1)c1ccccc1 ZINC000042288474 176003426 /nfs/dbraw/zinc/00/34/26/176003426.db2.gz UKXKMSIDBNYWPV-CHWSQXEVSA-N 0 0 241.334 4.108 10 0 BIAERN C[C@H](OC1CCCCCC1)c1ccc(N)cc1 ZINC000042288483 177020499 /nfs/dbraw/zinc/02/04/99/177020499.db2.gz UQUGFJWGTGZBAX-LBPRGKRZSA-N 0 0 233.355 4.069 10 0 BIAERN C[C@@H](OC1CCCCCC1)c1ccc(N)cc1 ZINC000042288485 176002226 /nfs/dbraw/zinc/00/22/26/176002226.db2.gz UQUGFJWGTGZBAX-GFCCVEGCSA-N 0 0 233.355 4.069 10 0 BIAERN CCCC[C@H](O)c1ccc(Cl)cc1Cl ZINC000042288599 374258337 /nfs/dbraw/zinc/25/83/37/374258337.db2.gz SKYSSHKTIQYUDK-NSHDSACASA-N 0 0 233.138 4.217 10 0 BIAERN CCCC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000042288601 374258095 /nfs/dbraw/zinc/25/80/95/374258095.db2.gz SKYSSHKTIQYUDK-LLVKDONJSA-N 0 0 233.138 4.217 10 0 BIAERN Fc1cccc(N[C@@H](c2cccs2)C2CC2)c1 ZINC000042328481 181002384 /nfs/dbraw/zinc/00/23/84/181002384.db2.gz SMGDIXSSVHVGHB-CQSZACIVSA-N 0 0 247.338 4.450 10 0 BIAERN Fc1cccc(N[C@H](c2cccs2)C2CC2)c1 ZINC000042328484 181002102 /nfs/dbraw/zinc/00/21/02/181002102.db2.gz SMGDIXSSVHVGHB-AWEZNQCLSA-N 0 0 247.338 4.450 10 0 BIAERN Fc1ccccc1N[C@@H](c1cccs1)C1CC1 ZINC000042328538 181014663 /nfs/dbraw/zinc/01/46/63/181014663.db2.gz ISHKQNXZLREQLF-CQSZACIVSA-N 0 0 247.338 4.450 10 0 BIAERN Fc1ccccc1N[C@H](c1cccs1)C1CC1 ZINC000042328541 181014613 /nfs/dbraw/zinc/01/46/13/181014613.db2.gz ISHKQNXZLREQLF-AWEZNQCLSA-N 0 0 247.338 4.450 10 0 BIAERN Oc1cccc(N[C@@H](c2cccs2)C2CC2)c1 ZINC000042329200 183292736 /nfs/dbraw/zinc/29/27/36/183292736.db2.gz NJMYMKPBUYFIJU-CQSZACIVSA-N 0 0 245.347 4.017 10 0 BIAERN Oc1cccc(N[C@H](c2cccs2)C2CC2)c1 ZINC000042329203 183293184 /nfs/dbraw/zinc/29/31/84/183293184.db2.gz NJMYMKPBUYFIJU-AWEZNQCLSA-N 0 0 245.347 4.017 10 0 BIAERN Oc1ccc(N[C@@H](c2cccs2)C2CC2)cc1 ZINC000042330962 183276319 /nfs/dbraw/zinc/27/63/19/183276319.db2.gz HHBUGUDITOFDNO-CQSZACIVSA-N 0 0 245.347 4.017 10 0 BIAERN Oc1ccc(N[C@H](c2cccs2)C2CC2)cc1 ZINC000042330964 183276191 /nfs/dbraw/zinc/27/61/91/183276191.db2.gz HHBUGUDITOFDNO-AWEZNQCLSA-N 0 0 245.347 4.017 10 0 BIAERN CCC1CCC(Nc2nc3ccccc3o2)CC1 ZINC000042338507 322837841 /nfs/dbraw/zinc/83/78/41/322837841.db2.gz YVRAKLDURMCZAV-UHFFFAOYSA-N 0 0 244.338 4.209 10 0 BIAERN Cc1ccc([C@H](O)c2ccc(Cl)cc2)cc1C ZINC000042351939 352626556 /nfs/dbraw/zinc/62/65/56/352626556.db2.gz FIIKVSVCOKUBEK-OAHLLOKOSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1ccc([C@@H](O)c2ccc(Cl)cc2)cc1C ZINC000042351941 178868787 /nfs/dbraw/zinc/86/87/87/178868787.db2.gz FIIKVSVCOKUBEK-HNNXBMFYSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1ccc([C@H](O)c2ccc(Cl)cc2)c(C)c1 ZINC000042352034 178916814 /nfs/dbraw/zinc/91/68/14/178916814.db2.gz CATDEBPBPNUVOY-OAHLLOKOSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1ccc([C@@H](O)c2ccc(Cl)cc2)c(C)c1 ZINC000042352036 386690188 /nfs/dbraw/zinc/69/01/88/386690188.db2.gz CATDEBPBPNUVOY-HNNXBMFYSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1ccc(C)c([C@H](O)c2ccc(Cl)cc2)c1 ZINC000042352038 178502413 /nfs/dbraw/zinc/50/24/13/178502413.db2.gz NSIJSLCRBPRHTR-OAHLLOKOSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1ccc(C)c([C@@H](O)c2ccc(Cl)cc2)c1 ZINC000042352040 386688011 /nfs/dbraw/zinc/68/80/11/386688011.db2.gz NSIJSLCRBPRHTR-HNNXBMFYSA-N 0 0 246.737 4.039 10 0 BIAERN CCC(CC)CN(CC)c1ccccc1[C@@H](C)O ZINC000042487955 168350848 /nfs/dbraw/zinc/35/08/48/168350848.db2.gz TZKDSIAZBFJAMH-CYBMUJFWSA-N 0 0 249.398 4.002 10 0 BIAERN CC[C@H](C)[C@@H](C)Nc1ccc2ccccc2n1 ZINC000042557282 171367463 /nfs/dbraw/zinc/36/74/63/171367463.db2.gz UVKZJIYFWPNSNL-NWDGAFQWSA-N 0 0 228.339 4.081 10 0 BIAERN CC[C@H](C)[C@H](C)Nc1ccc2ccccc2n1 ZINC000042557288 171391621 /nfs/dbraw/zinc/39/16/21/171391621.db2.gz UVKZJIYFWPNSNL-RYUDHWBXSA-N 0 0 228.339 4.081 10 0 BIAERN Cc1cc(N)ccc1N[C@@H](C)CCCC(C)C ZINC000042587331 178106740 /nfs/dbraw/zinc/10/67/40/178106740.db2.gz HJUHPDPLVASHDP-ZDUSSCGKSA-N 0 0 234.387 4.204 10 0 BIAERN Cc1cc(N)ccc1N[C@H](C)CCCC(C)C ZINC000042587334 178107284 /nfs/dbraw/zinc/10/72/84/178107284.db2.gz HJUHPDPLVASHDP-CYBMUJFWSA-N 0 0 234.387 4.204 10 0 BIAERN CC(C)CCC[C@@H](C)Nc1cccc(F)c1N ZINC000042587375 166823828 /nfs/dbraw/zinc/82/38/28/166823828.db2.gz MOSAAGPBJKMKJX-LLVKDONJSA-N 0 0 238.350 4.035 10 0 BIAERN CC(C)CCC[C@@H](C)Nc1cc(N)cc(F)c1 ZINC000042587381 166822719 /nfs/dbraw/zinc/82/27/19/166822719.db2.gz YEVQLRGUXXEYPT-LLVKDONJSA-N 0 0 238.350 4.035 10 0 BIAERN CC[C@H](Nc1nccc2sccc21)C(C)C ZINC000042590982 362011392 /nfs/dbraw/zinc/01/13/92/362011392.db2.gz AWYGJXBGHNWQJK-NSHDSACASA-N 0 0 234.368 4.143 10 0 BIAERN CC[C@@H](Nc1nccc2sccc21)C(C)C ZINC000042590984 362011633 /nfs/dbraw/zinc/01/16/33/362011633.db2.gz AWYGJXBGHNWQJK-LLVKDONJSA-N 0 0 234.368 4.143 10 0 BIAERN CC[C@H](Nc1nc2ccccc2s1)C(C)C ZINC000042591116 322839145 /nfs/dbraw/zinc/83/91/45/322839145.db2.gz VQFUNAKOWKLVQB-JTQLQIEISA-N 0 0 234.368 4.143 10 0 BIAERN CC[C@@H](Nc1nc2ccccc2s1)C(C)C ZINC000042591119 322839089 /nfs/dbraw/zinc/83/90/89/322839089.db2.gz VQFUNAKOWKLVQB-SNVBAGLBSA-N 0 0 234.368 4.143 10 0 BIAERN CC[C@H](Nc1ccc2ccccc2n1)C(C)C ZINC000042591127 343000437 /nfs/dbraw/zinc/00/04/37/343000437.db2.gz VTOJVEZEPXZTPG-ZDUSSCGKSA-N 0 0 228.339 4.081 10 0 BIAERN CC[C@@H](Nc1ccc2ccccc2n1)C(C)C ZINC000042591130 343000419 /nfs/dbraw/zinc/00/04/19/343000419.db2.gz VTOJVEZEPXZTPG-CYBMUJFWSA-N 0 0 228.339 4.081 10 0 BIAERN Cc1ccc(C)n1[C@H](C)c1ccc(Cl)s1 ZINC000042593078 178511284 /nfs/dbraw/zinc/51/12/84/178511284.db2.gz DKGYWCIFJVFHRP-SNVBAGLBSA-N 0 0 239.771 4.429 10 0 BIAERN Cc1ccc([C@@H](C)Nc2ccc(C)cc2N)s1 ZINC000042599557 178777175 /nfs/dbraw/zinc/77/71/75/178777175.db2.gz CLEOKFBWCMZVQK-LLVKDONJSA-N 0 0 246.379 4.120 10 0 BIAERN Cc1ccc(OCc2ccccc2)c2cc[nH]c21 ZINC000042689629 384237547 /nfs/dbraw/zinc/23/75/47/384237547.db2.gz AQOWFISTBQALKW-UHFFFAOYSA-N 0 0 237.302 4.055 10 0 BIAERN Cc1ccsc1C(=O)C(C)(C)c1ccccc1 ZINC000042728601 187604808 /nfs/dbraw/zinc/60/48/08/187604808.db2.gz LZADBMWHYMDFEX-UHFFFAOYSA-N 0 0 244.359 4.217 10 0 BIAERN CC[C@H](C(=O)c1sccc1C)c1ccccc1 ZINC000042728607 171241741 /nfs/dbraw/zinc/24/17/41/171241741.db2.gz VBUAXXHLXCLLIN-ZDUSSCGKSA-N 0 0 244.359 4.433 10 0 BIAERN CC[C@@H](C(=O)c1sccc1C)c1ccccc1 ZINC000042728609 170672660 /nfs/dbraw/zinc/67/26/60/170672660.db2.gz VBUAXXHLXCLLIN-CYBMUJFWSA-N 0 0 244.359 4.433 10 0 BIAERN CCCC[C@@H](CC)C(=O)c1sccc1C ZINC000042728620 362020719 /nfs/dbraw/zinc/02/07/19/362020719.db2.gz ZWIPALTZKRZOST-LLVKDONJSA-N 0 0 224.369 4.456 10 0 BIAERN CCCC[C@H](CC)C(=O)c1sccc1C ZINC000042728622 362021086 /nfs/dbraw/zinc/02/10/86/362021086.db2.gz ZWIPALTZKRZOST-NSHDSACASA-N 0 0 224.369 4.456 10 0 BIAERN Cc1ccsc1C(=O)CCC1CCCC1 ZINC000042728628 362020472 /nfs/dbraw/zinc/02/04/72/362020472.db2.gz RKIAVIHVYXXBID-UHFFFAOYSA-N 0 0 222.353 4.210 10 0 BIAERN Cc1cc(C)cc(CCc2ccccc2)c1 ZINC000042804980 387509539 /nfs/dbraw/zinc/50/95/39/387509539.db2.gz OOIYYSDEXYGZQO-UHFFFAOYSA-N 0 0 210.320 4.089 10 0 BIAERN CC(=O)c1sc2cccc(Cl)c2c1C ZINC000043069297 166493636 /nfs/dbraw/zinc/49/36/36/166493636.db2.gz NMPXYSJOXVNTBG-UHFFFAOYSA-N 0 0 224.712 4.066 10 0 BIAERN CC(=O)c1sc2ccc(C)c(Cl)c2c1C ZINC000043077559 166493940 /nfs/dbraw/zinc/49/39/40/166493940.db2.gz IZSQYXNWZQFZGE-UHFFFAOYSA-N 0 0 238.739 4.374 10 0 BIAERN Cc1cccc(CNc2cc(F)ccc2F)c1C ZINC000043304732 179102106 /nfs/dbraw/zinc/10/21/06/179102106.db2.gz ZJWJQXLBPPBSPY-UHFFFAOYSA-N 0 0 247.288 4.194 10 0 BIAERN Cc1cccc(CNc2ccc(F)c(F)c2)c1C ZINC000043304748 188295065 /nfs/dbraw/zinc/29/50/65/188295065.db2.gz FQRKWSSRNLCBDT-UHFFFAOYSA-N 0 0 247.288 4.194 10 0 BIAERN Cc1cccc(CNc2cc(F)cc(F)c2)c1C ZINC000043304767 179102251 /nfs/dbraw/zinc/10/22/51/179102251.db2.gz BGBLUKGTCQJZJS-UHFFFAOYSA-N 0 0 247.288 4.194 10 0 BIAERN Cc1cccc(CNc2c(F)cccc2F)c1C ZINC000043304823 179102248 /nfs/dbraw/zinc/10/22/48/179102248.db2.gz QHQGIOXOCBNSSY-UHFFFAOYSA-N 0 0 247.288 4.194 10 0 BIAERN Cc1cccc(CNc2cccc(F)c2F)c1C ZINC000043314266 187949585 /nfs/dbraw/zinc/94/95/85/187949585.db2.gz LSTGDSGLGSOGAZ-UHFFFAOYSA-N 0 0 247.288 4.194 10 0 BIAERN COc1ccc(Cl)c(N[C@H](C)CC(C)C)c1 ZINC000043316446 384647043 /nfs/dbraw/zinc/64/70/43/384647043.db2.gz PKEXBVRTWZUYCL-SNVBAGLBSA-N 0 0 241.762 4.195 10 0 BIAERN COc1ccc(Cl)c(N[C@@H](C)CC(C)C)c1 ZINC000043316449 384646187 /nfs/dbraw/zinc/64/61/87/384646187.db2.gz PKEXBVRTWZUYCL-JTQLQIEISA-N 0 0 241.762 4.195 10 0 BIAERN Cc1ccc2oc(C(F)(F)F)cc(=S)c2c1 ZINC000043464896 343076521 /nfs/dbraw/zinc/07/65/21/343076521.db2.gz BDALMGNBTMEAPA-UHFFFAOYSA-N 0 0 244.237 4.490 10 0 BIAERN CCOC(OCC)c1cccc(C(C)(C)C)c1 ZINC000043502753 364742296 /nfs/dbraw/zinc/74/22/96/364742296.db2.gz QITRFBCUIHLOEE-UHFFFAOYSA-N 0 0 236.355 4.056 10 0 BIAERN CCOC(OCC)c1ccc(C(C)(C)C)cc1 ZINC000043502755 364741513 /nfs/dbraw/zinc/74/15/13/364741513.db2.gz YVIXHBPSTYODFF-UHFFFAOYSA-N 0 0 236.355 4.056 10 0 BIAERN CCOC(OCC)c1cc(C)c(Cl)c(C)c1 ZINC000043502772 364742002 /nfs/dbraw/zinc/74/20/02/364742002.db2.gz RMFOAGUXPNRQKX-UHFFFAOYSA-N 0 0 242.746 4.028 10 0 BIAERN CCOC(CCC1CCCCCC1)OCC ZINC000043502801 343098364 /nfs/dbraw/zinc/09/83/64/343098364.db2.gz KMWYRXRMEORPIN-UHFFFAOYSA-N 0 0 228.376 4.136 10 0 BIAERN CCOC(CCCC1CCCCC1)OCC ZINC000043502811 343098410 /nfs/dbraw/zinc/09/84/10/343098410.db2.gz FJWJGVSINIMJHY-UHFFFAOYSA-N 0 0 228.376 4.136 10 0 BIAERN CCOC(OCC)c1cc(Cl)cc(Cl)c1 ZINC000043502831 344523882 /nfs/dbraw/zinc/52/38/82/344523882.db2.gz MOVKDHSDFMIEOE-UHFFFAOYSA-N 0 0 249.137 4.065 10 0 BIAERN CCCC[C@@H](CC)CCC(OCC)OCC ZINC000043502982 344523780 /nfs/dbraw/zinc/52/37/80/344523780.db2.gz VUJQZDDQLGVLKW-CYBMUJFWSA-N 0 0 230.392 4.382 10 0 BIAERN CCCC[C@H](CC)CCC(OCC)OCC ZINC000043502984 343098853 /nfs/dbraw/zinc/09/88/53/343098853.db2.gz VUJQZDDQLGVLKW-ZDUSSCGKSA-N 0 0 230.392 4.382 10 0 BIAERN CCOC(OCC)c1ccc(F)c2ccccc21 ZINC000043503038 364743134 /nfs/dbraw/zinc/74/31/34/364743134.db2.gz CNCUBMPUESMTII-UHFFFAOYSA-N 0 0 248.297 4.051 10 0 BIAERN CCOC(OCC)c1c(C)ccc2ccccc21 ZINC000043503156 343098886 /nfs/dbraw/zinc/09/88/86/343098886.db2.gz YPEDAJJJOPPOPS-UHFFFAOYSA-N 0 0 244.334 4.220 10 0 BIAERN CCOC(OCC)c1ccc(C)c2ccccc21 ZINC000043503158 343098816 /nfs/dbraw/zinc/09/88/16/343098816.db2.gz GGZICGZXQJRJAW-UHFFFAOYSA-N 0 0 244.334 4.220 10 0 BIAERN CCOC(CC[C@@H](C)CC(C)(C)C)OCC ZINC000043503377 344524049 /nfs/dbraw/zinc/52/40/49/344524049.db2.gz GPMMLQNQQNAQSC-GFCCVEGCSA-N 0 0 230.392 4.238 10 0 BIAERN CCOC(CC[C@H](C)CC(C)(C)C)OCC ZINC000043503379 343098072 /nfs/dbraw/zinc/09/80/72/343098072.db2.gz GPMMLQNQQNAQSC-LBPRGKRZSA-N 0 0 230.392 4.238 10 0 BIAERN CCCC(=O)CCc1ccc(C(F)(F)F)cc1 ZINC000043512106 343115080 /nfs/dbraw/zinc/11/50/80/343115080.db2.gz RZFHMCHSCIOWDF-UHFFFAOYSA-N 0 0 244.256 4.007 10 0 BIAERN CCCCC[C@H]1CCc2ccccc2C1=O ZINC000043648491 168746061 /nfs/dbraw/zinc/74/60/61/168746061.db2.gz SYLOEEXOKJWFOE-ZDUSSCGKSA-N 0 0 216.324 4.012 10 0 BIAERN CCc1ccc(C[C@H]2CCCCCC2=O)s1 ZINC000043650039 171815294 /nfs/dbraw/zinc/81/52/94/171815294.db2.gz VWHPZYIJZGHJST-LLVKDONJSA-N 0 0 236.380 4.002 10 0 BIAERN CC(C)C[C@@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000043654009 343696823 /nfs/dbraw/zinc/69/68/23/343696823.db2.gz WRDRLKWXLKMWRH-VXGBXAGGSA-N 0 0 210.361 4.064 10 0 BIAERN CC(C)C[C@H]1C[C@H](C(C)(C)C)CCC1=O ZINC000043654011 343696718 /nfs/dbraw/zinc/69/67/18/343696718.db2.gz WRDRLKWXLKMWRH-NWDGAFQWSA-N 0 0 210.361 4.064 10 0 BIAERN CC(C)C[C@@H]1C[C@@H](C(C)(C)C)CCC1=O ZINC000043654013 343696721 /nfs/dbraw/zinc/69/67/21/343696721.db2.gz WRDRLKWXLKMWRH-NEPJUHHUSA-N 0 0 210.361 4.064 10 0 BIAERN CC(C)C[C@H]1C[C@@H](C(C)(C)C)CCC1=O ZINC000043654014 343696873 /nfs/dbraw/zinc/69/68/73/343696873.db2.gz WRDRLKWXLKMWRH-RYUDHWBXSA-N 0 0 210.361 4.064 10 0 BIAERN CC(C)c1ccc(CC[C@@H](O)C(C)(C)C)cc1 ZINC000043657599 167594632 /nfs/dbraw/zinc/59/46/32/167594632.db2.gz RLTZLZOKXYPRFO-OAHLLOKOSA-N 0 0 234.383 4.150 10 0 BIAERN CCOC(C/C=C(\C)CCC=C(C)C)OCC ZINC000043875638 344290554 /nfs/dbraw/zinc/29/05/54/344290554.db2.gz BCYITJRDESVSTD-SDNWHVSQSA-N 0 0 240.387 4.468 10 0 BIAERN CCOC(OCC)[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000043875644 344290759 /nfs/dbraw/zinc/29/07/59/344290759.db2.gz DYBZBDLQWWMJJF-HZSPNIEDSA-N 0 0 242.403 4.094 10 0 BIAERN Cc1ccccc1-c1coc(Br)c1 ZINC000044120915 179237238 /nfs/dbraw/zinc/23/72/38/179237238.db2.gz RBRNUOMKKMLBEX-UHFFFAOYSA-N 0 0 237.096 4.018 10 0 BIAERN Cc1ccccc1-c1ccc(Br)o1 ZINC000044120986 179235261 /nfs/dbraw/zinc/23/52/61/179235261.db2.gz AUAOHNAKFRPTQV-UHFFFAOYSA-N 0 0 237.096 4.018 10 0 BIAERN Brc1cc(C2CCCC2)cs1 ZINC000044121006 166095894 /nfs/dbraw/zinc/09/58/94/166095894.db2.gz YXAHVBGUBJEBBD-UHFFFAOYSA-N 0 0 231.158 4.168 10 0 BIAERN Brc1cc(C2CCCCC2)co1 ZINC000044121051 166095422 /nfs/dbraw/zinc/09/54/22/166095422.db2.gz IIJNVUOZCHIWRF-UHFFFAOYSA-N 0 0 229.117 4.090 10 0 BIAERN Cc1ccc(-c2coc(Br)c2)cc1 ZINC000044121062 178329890 /nfs/dbraw/zinc/32/98/90/178329890.db2.gz AORGAHSESCZLJG-UHFFFAOYSA-N 0 0 237.096 4.018 10 0 BIAERN Cc1ccc(Oc2ccc(C=O)cc2)cc1Cl ZINC000044672077 411139478 /nfs/dbraw/zinc/13/94/78/411139478.db2.gz GNIGRKXNSXZEHL-UHFFFAOYSA-N 0 0 246.693 4.253 10 0 BIAERN Nc1ccccc1Nc1ccc2ccccc2c1 ZINC000044880140 358396142 /nfs/dbraw/zinc/39/61/42/358396142.db2.gz OYTAVCSYODZVOK-UHFFFAOYSA-N 0 0 234.302 4.166 10 0 BIAERN CC1(n2c3ccccc3[nH]c2=S)CCCCC1 ZINC000045046353 168074466 /nfs/dbraw/zinc/07/44/66/168074466.db2.gz ZGGYUKRYUXTELA-UHFFFAOYSA-N 0 0 246.379 4.378 10 0 BIAERN CC(C)(C)CCc1nc2ccccc2s1 ZINC000045235952 343526258 /nfs/dbraw/zinc/52/62/58/343526258.db2.gz YTCXMUUSVVJEPU-UHFFFAOYSA-N 0 0 219.353 4.275 10 0 BIAERN CCC(CC)c1nc2ccccc2s1 ZINC000045237040 168411833 /nfs/dbraw/zinc/41/18/33/168411833.db2.gz MHMAPIWJUSMFIV-UHFFFAOYSA-N 0 0 205.326 4.200 10 0 BIAERN CCC[C@@H](C)c1nc2ccccc2s1 ZINC000045237041 169375567 /nfs/dbraw/zinc/37/55/67/169375567.db2.gz DAXJFOGZLQKOLJ-SECBINFHSA-N 0 0 205.326 4.200 10 0 BIAERN CCC[C@H](C)c1nc2ccccc2s1 ZINC000045237042 384384017 /nfs/dbraw/zinc/38/40/17/384384017.db2.gz DAXJFOGZLQKOLJ-VIFPVBQESA-N 0 0 205.326 4.200 10 0 BIAERN Clc1nc2cc3ccccc3cc2s1 ZINC000045237069 187269552 /nfs/dbraw/zinc/26/95/52/187269552.db2.gz ZWZUSUKRRBOOJD-UHFFFAOYSA-N 0 0 219.696 4.103 10 0 BIAERN CC(C)=Cc1ccc2nc(C)sc2c1 ZINC000045237163 384384287 /nfs/dbraw/zinc/38/42/87/384384287.db2.gz MYFYLLYFXCBPHB-UHFFFAOYSA-N 0 0 203.310 4.028 10 0 BIAERN CC1=C(c2nc3ccccc3s2)CCC1 ZINC000045237248 168089445 /nfs/dbraw/zinc/08/94/45/168089445.db2.gz FNEGAEUFJNVOIW-UHFFFAOYSA-N 0 0 215.321 4.254 10 0 BIAERN c1ccc2sc(C3=CCCCC3)nc2c1 ZINC000045237401 187269629 /nfs/dbraw/zinc/26/96/29/187269629.db2.gz GXIXMHPRMDHISM-UHFFFAOYSA-N 0 0 215.321 4.254 10 0 BIAERN c1ccc2sc(CC3CCCC3)nc2c1 ZINC000045237424 384382653 /nfs/dbraw/zinc/38/26/53/384382653.db2.gz KVMQUXDCISUHHV-UHFFFAOYSA-N 0 0 217.337 4.029 10 0 BIAERN CCCCc1ccc(N=O)c2scnc21 ZINC000045237448 169021155 /nfs/dbraw/zinc/02/11/55/169021155.db2.gz AKHKJZUVNRGZTM-UHFFFAOYSA-N 0 0 220.297 4.037 10 0 BIAERN CCCCc1ccc2ncsc2c1N=O ZINC000045237449 169024139 /nfs/dbraw/zinc/02/41/39/169024139.db2.gz VNUQKRADQJSPPY-UHFFFAOYSA-N 0 0 220.297 4.037 10 0 BIAERN CCCCc1c2ncsc2ccc1N=O ZINC000045237450 169018606 /nfs/dbraw/zinc/01/86/06/169018606.db2.gz QBQRIPVWUBPOMR-UHFFFAOYSA-N 0 0 220.297 4.037 10 0 BIAERN c1cc(-c2nc3ccccc3s2)cs1 ZINC000045237573 384384280 /nfs/dbraw/zinc/38/42/80/384384280.db2.gz WJHVDQBJNAXATN-UHFFFAOYSA-N 0 0 217.318 4.025 10 0 BIAERN CCCCc1nc2ccc(Cl)cc2s1 ZINC000045237652 169027682 /nfs/dbraw/zinc/02/76/82/169027682.db2.gz LNZSSTIECXFGAH-UHFFFAOYSA-N 0 0 225.744 4.292 10 0 BIAERN C(=C1CCCC1)c1nc2ccccc2s1 ZINC000045237797 343526625 /nfs/dbraw/zinc/52/66/25/343526625.db2.gz BWKSOLMVLLWPJZ-UHFFFAOYSA-N 0 0 215.321 4.254 10 0 BIAERN CC/C(C)=C\c1nc2ccccc2s1 ZINC000045238201 384382761 /nfs/dbraw/zinc/38/27/61/384382761.db2.gz WOFVJHJLWGVTQD-HJWRWDBZSA-N 0 0 203.310 4.110 10 0 BIAERN Nc1ccccc1-c1cc2ccccc2s1 ZINC000045349268 358410676 /nfs/dbraw/zinc/41/06/76/358410676.db2.gz HSQQDPKLHDLLNB-UHFFFAOYSA-N 0 0 225.316 4.151 10 0 BIAERN Cc1ccc(-c2cc3ccccc3s2)c(N)c1 ZINC000045354112 178321921 /nfs/dbraw/zinc/32/19/21/178321921.db2.gz NOMCMHXYCUSMEC-UHFFFAOYSA-N 0 0 239.343 4.459 10 0 BIAERN CCOc1cc(C)cc(-c2ccccc2)c1 ZINC000045805903 343534506 /nfs/dbraw/zinc/53/45/06/343534506.db2.gz ICCRYYBGOXATLA-UHFFFAOYSA-N 0 0 212.292 4.061 10 0 BIAERN c1nc2cc(Oc3ccccc3)ccc2s1 ZINC000045817203 384409047 /nfs/dbraw/zinc/40/90/47/384409047.db2.gz PULXJYONOGEWOR-UHFFFAOYSA-N 0 0 227.288 4.089 10 0 BIAERN CCCn1c(=S)cc(C)c2ccccc21 ZINC000045817729 169611563 /nfs/dbraw/zinc/61/15/63/169611563.db2.gz RXOGELKSZQBNMF-UHFFFAOYSA-N 0 0 217.337 4.089 10 0 BIAERN Cc1ccc(-c2nc(C(C)C)cc(=S)[nH]2)cc1 ZINC000045956091 178332731 /nfs/dbraw/zinc/33/27/31/178332731.db2.gz CZZYUXAIEUXEAT-UHFFFAOYSA-N 0 0 244.363 4.238 10 0 BIAERN CCCc1cc(=S)[nH]c(-c2ccc(C)cc2)n1 ZINC000045956094 169562753 /nfs/dbraw/zinc/56/27/53/169562753.db2.gz DZHBQZYGHXVCLK-UHFFFAOYSA-N 0 0 244.363 4.067 10 0 BIAERN Fc1ccccc1-c1ccsc1Cl ZINC000047206362 181009632 /nfs/dbraw/zinc/00/96/32/181009632.db2.gz ZJXZRTXRWCTDBT-UHFFFAOYSA-N 0 0 212.676 4.208 10 0 BIAERN COc1ccc(-c2cccc(F)c2)c(Cl)c1 ZINC000047206779 342901547 /nfs/dbraw/zinc/90/15/47/342901547.db2.gz ZQGSGKPGFAEXQF-UHFFFAOYSA-N 0 0 236.673 4.155 10 0 BIAERN Oc1c(-c2ccccc2)cccc1C(F)(F)F ZINC000047211876 342901840 /nfs/dbraw/zinc/90/18/40/342901840.db2.gz NNIJDZTUJHEJJT-UHFFFAOYSA-N 0 0 238.208 4.078 10 0 BIAERN Oc1ccc(C(F)(F)F)cc1-c1ccccc1 ZINC000047211878 342901884 /nfs/dbraw/zinc/90/18/84/342901884.db2.gz PLHDSDPYRZFMJT-UHFFFAOYSA-N 0 0 238.208 4.078 10 0 BIAERN Oc1cc(-c2ccccc2)cc(C(F)(F)F)c1 ZINC000047211886 183254765 /nfs/dbraw/zinc/25/47/65/183254765.db2.gz TVCOGQUEBQFGJQ-UHFFFAOYSA-N 0 0 238.208 4.078 10 0 BIAERN CC(C)Sc1nc2cc(Cl)ccc2s1 ZINC000047820125 167338290 /nfs/dbraw/zinc/33/82/90/167338290.db2.gz PWCJYHYZUXDEQT-UHFFFAOYSA-N 0 0 243.784 4.450 10 0 BIAERN CCc1sc(Cl)nc1-c1ccccc1 ZINC000047845018 172129703 /nfs/dbraw/zinc/12/97/03/172129703.db2.gz QEFJYHBJJAXSHN-UHFFFAOYSA-N 0 0 223.728 4.026 10 0 BIAERN Cc1ccc(C)n1[C@@H]1CCCc2ccccc21 ZINC000047980251 178510925 /nfs/dbraw/zinc/51/09/25/178510925.db2.gz JWVDEHZLVFGISK-MRXNPFEDSA-N 0 0 225.335 4.031 10 0 BIAERN Cc1ccc(C)n1[C@H]1CCCc2ccccc21 ZINC000047980253 178510821 /nfs/dbraw/zinc/51/08/21/178510821.db2.gz JWVDEHZLVFGISK-INIZCTEOSA-N 0 0 225.335 4.031 10 0 BIAERN Cc1cc(OCC(=O)C(C)(C)C)cc(C(C)C)c1 ZINC000048101630 178207867 /nfs/dbraw/zinc/20/78/67/178207867.db2.gz FMHBMARLZKTQQL-UHFFFAOYSA-N 0 0 248.366 4.112 10 0 BIAERN Cc1ccc(NCCO[C@@H]2CCCC[C@@H]2C)cc1 ZINC000048442670 178758749 /nfs/dbraw/zinc/75/87/49/178758749.db2.gz IUIKLFDNGJJQRW-GOEBONIOSA-N 0 0 247.382 4.002 10 0 BIAERN Cc1ccc(C)c([C@H](O)c2ccccc2Cl)c1 ZINC000048453700 353156417 /nfs/dbraw/zinc/15/64/17/353156417.db2.gz NYYKGLXTYCNILZ-OAHLLOKOSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1ccc(C)c([C@@H](O)c2ccccc2Cl)c1 ZINC000048453702 386578488 /nfs/dbraw/zinc/57/84/88/386578488.db2.gz NYYKGLXTYCNILZ-HNNXBMFYSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1cccc(NCc2c[nH]c3ccccc23)c1 ZINC000048937157 179149215 /nfs/dbraw/zinc/14/92/15/179149215.db2.gz RLTCTVBGXMLHND-UHFFFAOYSA-N 0 0 236.318 4.088 10 0 BIAERN Cc1ccccc1NCc1c[nH]c2ccccc12 ZINC000048937181 179305774 /nfs/dbraw/zinc/30/57/74/179305774.db2.gz AJSQRBUIQAHCQT-UHFFFAOYSA-N 0 0 236.318 4.088 10 0 BIAERN CCCCCC[C@@H](C)Nc1ccc(C)cc1N ZINC000049193767 168674725 /nfs/dbraw/zinc/67/47/25/168674725.db2.gz UIGKYVMPFGUTLO-CYBMUJFWSA-N 0 0 234.387 4.348 10 0 BIAERN CCCCCC[C@@H](C)Nc1cccc(F)c1N ZINC000049193850 168674469 /nfs/dbraw/zinc/67/44/69/168674469.db2.gz FFCUVRLPUSASIE-LLVKDONJSA-N 0 0 238.350 4.179 10 0 BIAERN CCC(=O)c1ccccc1OCCC(C)(C)C ZINC000049254746 168258631 /nfs/dbraw/zinc/25/86/31/168258631.db2.gz CSCMOXPPTLHATE-UHFFFAOYSA-N 0 0 234.339 4.094 10 0 BIAERN Cc1ccc(C)c(CSc2ccccc2N)c1 ZINC000049256909 188298536 /nfs/dbraw/zinc/29/85/36/188298536.db2.gz CQZMHOHWTLGBAD-UHFFFAOYSA-N 0 0 243.375 4.178 10 0 BIAERN Cc1cccc(C(=O)Cc2cc(C)ccc2C)c1 ZINC000049257679 179004003 /nfs/dbraw/zinc/00/40/03/179004003.db2.gz OEJZVGVRXJPYCP-UHFFFAOYSA-N 0 0 238.330 4.037 10 0 BIAERN CCCCOCCNc1ccc(C(C)C)cc1 ZINC000049261891 168903801 /nfs/dbraw/zinc/90/38/01/168903801.db2.gz MEBLYXQUSJFVAK-UHFFFAOYSA-N 0 0 235.371 4.039 10 0 BIAERN Cc1cc([C@@H](C)Nc2cccc(N)c2)c(C)s1 ZINC000049506146 178234917 /nfs/dbraw/zinc/23/49/17/178234917.db2.gz PFISFZMHOBNUAW-SNVBAGLBSA-N 0 0 246.379 4.120 10 0 BIAERN Cc1cc([C@H](C)Nc2cccc(N)c2)c(C)s1 ZINC000049506148 178259207 /nfs/dbraw/zinc/25/92/07/178259207.db2.gz PFISFZMHOBNUAW-JTQLQIEISA-N 0 0 246.379 4.120 10 0 BIAERN C[C@H](Nc1cccc(N)c1)c1ccccc1Cl ZINC000049506542 176935546 /nfs/dbraw/zinc/93/55/46/176935546.db2.gz KHUWJQNDVVTMON-JTQLQIEISA-N 0 0 246.741 4.095 10 0 BIAERN Cc1cc([C@@H](C)Nc2ccc(C)cn2)c(C)s1 ZINC000049509507 178776672 /nfs/dbraw/zinc/77/66/72/178776672.db2.gz QBDUIPFFLUNHHR-LLVKDONJSA-N 0 0 246.379 4.241 10 0 BIAERN Cc1ccc(N[C@H](C)c2ccccc2Cl)nc1 ZINC000049509631 178776744 /nfs/dbraw/zinc/77/67/44/178776744.db2.gz 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DHXXXHINYNYHAQ-CQSZACIVSA-N 0 0 246.379 4.261 10 0 BIAERN Cc1cccc(N[C@H](c2cccs2)C(C)C)n1 ZINC000049558366 179157022 /nfs/dbraw/zinc/15/70/22/179157022.db2.gz DHXXXHINYNYHAQ-AWEZNQCLSA-N 0 0 246.379 4.261 10 0 BIAERN Cc1cc(C)cc(/C=C/c2ccccc2)c1 ZINC000049563537 384892184 /nfs/dbraw/zinc/89/21/84/384892184.db2.gz QYMXXJHRSKCEHY-CMDGGOBGSA-N 0 0 208.304 4.474 10 0 BIAERN COc1cc(F)ccc1N[C@H](C)CCC(C)C ZINC000049563957 174994627 /nfs/dbraw/zinc/99/46/27/174994627.db2.gz AZBXHGWJDTWNKU-LLVKDONJSA-N 0 0 239.334 4.071 10 0 BIAERN COc1cc(F)ccc1N[C@@H](C)CCC(C)C ZINC000049563958 174994400 /nfs/dbraw/zinc/99/44/00/174994400.db2.gz AZBXHGWJDTWNKU-NSHDSACASA-N 0 0 239.334 4.071 10 0 BIAERN Cc1ccc(CSc2ccc(N)cc2)cc1C ZINC000049668810 384896193 /nfs/dbraw/zinc/89/61/93/384896193.db2.gz ZQXKHDGATBRXAC-UHFFFAOYSA-N 0 0 243.375 4.178 10 0 BIAERN Cc1ccc(C(=O)Cc2ccc(C)c(C)c2)cc1 ZINC000049669236 178374146 /nfs/dbraw/zinc/37/41/46/178374146.db2.gz ULVJDOFPEBPRDL-UHFFFAOYSA-N 0 0 238.330 4.037 10 0 BIAERN Cc1ccc(CC(=O)c2ccccc2C)cc1C ZINC000049669250 178524014 /nfs/dbraw/zinc/52/40/14/178524014.db2.gz IIHDFKHYNUFYPG-UHFFFAOYSA-N 0 0 238.330 4.037 10 0 BIAERN Cc1cccc(C(=O)Cc2ccc(C)c(C)c2)c1 ZINC000049669251 179003815 /nfs/dbraw/zinc/00/38/15/179003815.db2.gz RJFWDYJMQODPKI-UHFFFAOYSA-N 0 0 238.330 4.037 10 0 BIAERN Cc1cc(CNc2cc(F)ccc2C)c(C)s1 ZINC000049684987 178041727 /nfs/dbraw/zinc/04/17/27/178041727.db2.gz VPNWHNJDAIIHCU-UHFFFAOYSA-N 0 0 249.354 4.425 10 0 BIAERN Cc1cc(CNc2ccc(C)c(F)c2)c(C)s1 ZINC000049684992 178043014 /nfs/dbraw/zinc/04/30/14/178043014.db2.gz NHAWNZVNYIJKTL-UHFFFAOYSA-N 0 0 249.354 4.425 10 0 BIAERN Cc1cc(CNc2ccc(F)cc2C)c(C)s1 ZINC000049685003 178043092 /nfs/dbraw/zinc/04/30/92/178043092.db2.gz USFXANCXTRBNCO-UHFFFAOYSA-N 0 0 249.354 4.425 10 0 BIAERN CCC(C)(C)c1ccc2oc(C(C)=O)cc2c1 ZINC000049804368 168305869 /nfs/dbraw/zinc/30/58/69/168305869.db2.gz XDVSGOKGFKRRQF-UHFFFAOYSA-N 0 0 230.307 4.323 10 0 BIAERN Cc1cc2c(nc1Cl)[C@H](C)CC[C@@H]2C ZINC000049814706 178292789 /nfs/dbraw/zinc/29/27/89/178292789.db2.gz WDAUWEWTVXYJOZ-JGVFFNPUSA-N 0 0 209.720 4.044 10 0 BIAERN Cc1cc2c(nc1Cl)[C@@H](C)CC[C@@H]2C ZINC000049814707 178292688 /nfs/dbraw/zinc/29/26/88/178292688.db2.gz WDAUWEWTVXYJOZ-YUMQZZPRSA-N 0 0 209.720 4.044 10 0 BIAERN Cc1cc2c(nc1Cl)[C@H](C)CC[C@H]2C ZINC000049814708 178293294 /nfs/dbraw/zinc/29/32/94/178293294.db2.gz WDAUWEWTVXYJOZ-HTQZYQBOSA-N 0 0 209.720 4.044 10 0 BIAERN Cc1cc2c(nc1Cl)[C@@H](C)CC[C@H]2C ZINC000049814709 178293567 /nfs/dbraw/zinc/29/35/67/178293567.db2.gz WDAUWEWTVXYJOZ-SFYZADRCSA-N 0 0 209.720 4.044 10 0 BIAERN Cc1cc(Cl)ccc1C(=O)C1CCCC1 ZINC000049819057 178067194 /nfs/dbraw/zinc/06/71/94/178067194.db2.gz RSIJFFNWKLZYGB-UHFFFAOYSA-N 0 0 222.715 4.021 10 0 BIAERN Cc1ccc(C(=O)C2CCCC2)cc1Cl ZINC000049819058 178371199 /nfs/dbraw/zinc/37/11/99/178371199.db2.gz OQTDEADNDZYCFQ-UHFFFAOYSA-N 0 0 222.715 4.021 10 0 BIAERN CC(C)CC(=O)c1cccc(Cl)c1Cl ZINC000049821883 166775061 /nfs/dbraw/zinc/77/50/61/166775061.db2.gz SDNZYCRSQIOODN-UHFFFAOYSA-N 0 0 231.122 4.222 10 0 BIAERN CC(=O)c1ccc(-c2cccc(Cl)c2C)o1 ZINC000049827035 166451188 /nfs/dbraw/zinc/45/11/88/166451188.db2.gz IJGQGMOGAIIPJA-UHFFFAOYSA-N 0 0 234.682 4.111 10 0 BIAERN CC(=O)c1ccc(-c2cc(Cl)ccc2C)o1 ZINC000049827036 166449241 /nfs/dbraw/zinc/44/92/41/166449241.db2.gz ZJLWRFDGSDNEFN-UHFFFAOYSA-N 0 0 234.682 4.111 10 0 BIAERN CC(=O)c1ccc(-c2ccc(Cl)cc2C)o1 ZINC000049827037 166450118 /nfs/dbraw/zinc/45/01/18/166450118.db2.gz ZJPDVQPLYDAQCS-UHFFFAOYSA-N 0 0 234.682 4.111 10 0 BIAERN Cc1ccc(C(=O)C2CCCCC2)cc1Cl ZINC000049828403 178372111 /nfs/dbraw/zinc/37/21/11/178372111.db2.gz PIMGGOKAPKLTCZ-UHFFFAOYSA-N 0 0 236.742 4.411 10 0 BIAERN Cc1ccc(-c2cn3c(n2)[C@H](C)CCC3)cc1C ZINC000049830249 178327491 /nfs/dbraw/zinc/32/74/91/178327491.db2.gz VEXIYGLVKPCTOF-GFCCVEGCSA-N 0 0 240.350 4.064 10 0 BIAERN Cc1ccc(-c2cn3c(n2)[C@@H](C)CCC3)cc1C ZINC000049830250 178327462 /nfs/dbraw/zinc/32/74/62/178327462.db2.gz VEXIYGLVKPCTOF-LBPRGKRZSA-N 0 0 240.350 4.064 10 0 BIAERN Cc1ccc(-c2cn3c(n2)[C@H](C)CCC3)c(C)c1 ZINC000049830251 178327516 /nfs/dbraw/zinc/32/75/16/178327516.db2.gz CIQSTQGPDGEVHD-GFCCVEGCSA-N 0 0 240.350 4.064 10 0 BIAERN Cc1ccc(-c2cn3c(n2)[C@@H](C)CCC3)c(C)c1 ZINC000049830252 178327962 /nfs/dbraw/zinc/32/79/62/178327962.db2.gz CIQSTQGPDGEVHD-LBPRGKRZSA-N 0 0 240.350 4.064 10 0 BIAERN Cc1ccc(-c2cn3c(n2)CCC[C@@H]3C)cc1C ZINC000049830265 178328125 /nfs/dbraw/zinc/32/81/25/178328125.db2.gz PHWNNVPIGCKVFI-ZDUSSCGKSA-N 0 0 240.350 4.064 10 0 BIAERN Cc1ccc(-c2cn3c(n2)CCC[C@H]3C)cc1C ZINC000049830266 178327347 /nfs/dbraw/zinc/32/73/47/178327347.db2.gz PHWNNVPIGCKVFI-CYBMUJFWSA-N 0 0 240.350 4.064 10 0 BIAERN Cc1ccc(-c2cn3c(n2)CCC[C@@H]3C)c(C)c1 ZINC000049830267 178328261 /nfs/dbraw/zinc/32/82/61/178328261.db2.gz KONLPMKZSDXMOM-ZDUSSCGKSA-N 0 0 240.350 4.064 10 0 BIAERN Cc1ccc(-c2cn3c(n2)CCC[C@H]3C)c(C)c1 ZINC000049830268 178327619 /nfs/dbraw/zinc/32/76/19/178327619.db2.gz KONLPMKZSDXMOM-CYBMUJFWSA-N 0 0 240.350 4.064 10 0 BIAERN CC(=O)c1ccc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000049830957 166450237 /nfs/dbraw/zinc/45/02/37/166450237.db2.gz RNASPRNNGJBKHI-UHFFFAOYSA-N 0 0 242.318 4.447 10 0 BIAERN Nc1cscc1-c1ccc(Cl)cc1Cl ZINC000049831656 181773439 /nfs/dbraw/zinc/77/34/39/181773439.db2.gz JJPGVHOOBIZIGH-UHFFFAOYSA-N 0 0 244.146 4.304 10 0 BIAERN COc1ccc2cc(C(=O)C(C)(C)C)ccc2c1 ZINC000049955611 175224084 /nfs/dbraw/zinc/22/40/84/175224084.db2.gz GBTRRXFPXLQRNW-UHFFFAOYSA-N 0 0 242.318 4.077 10 0 BIAERN COc1ccc2cc(-c3ccccc3N)ccc2c1 ZINC000049955969 343128533 /nfs/dbraw/zinc/12/85/33/343128533.db2.gz ATNSDYVFLLHUQI-UHFFFAOYSA-N 0 0 249.313 4.098 10 0 BIAERN CCc1ccc(CSc2ccc(N)cc2)cc1 ZINC000049961705 343128643 /nfs/dbraw/zinc/12/86/43/343128643.db2.gz URDQQWICWRXZEW-UHFFFAOYSA-N 0 0 243.375 4.124 10 0 BIAERN Nc1ccc(CSc2ccccc2)c(Cl)c1 ZINC000049963910 343128261 /nfs/dbraw/zinc/12/82/61/343128261.db2.gz WGMJRJJKWCZYFV-UHFFFAOYSA-N 0 0 249.766 4.215 10 0 BIAERN CCC[C@@H](C)c1nc(-c2ccccc2)sc1N ZINC000050308774 169374166 /nfs/dbraw/zinc/37/41/66/169374166.db2.gz KUTDAQOEPKISIP-SNVBAGLBSA-N 0 0 246.379 4.296 10 0 BIAERN Nc1sc(C2CCCC2)nc1-c1ccccc1 ZINC000050309433 181820787 /nfs/dbraw/zinc/82/07/87/181820787.db2.gz GVRRWTDOPYGZAR-UHFFFAOYSA-N 0 0 244.363 4.050 10 0 BIAERN CC(C)c1ccc([C@@H](O)C2=CCCCC2)cc1 ZINC000050328982 167614430 /nfs/dbraw/zinc/61/44/30/167614430.db2.gz GHSMJOIEOAFGOM-INIZCTEOSA-N 0 0 230.351 4.344 10 0 BIAERN O[C@@H](c1ccc2ccccc2c1)C1=CCCCC1 ZINC000050329017 183218091 /nfs/dbraw/zinc/21/80/91/183218091.db2.gz JUIVQKYQUFWSJW-QGZVFWFLSA-N 0 0 238.330 4.374 10 0 BIAERN O[C@H](c1ccc2ccccc2c1)C1=CCCCC1 ZINC000050329018 183172613 /nfs/dbraw/zinc/17/26/13/183172613.db2.gz JUIVQKYQUFWSJW-KRWDZBQOSA-N 0 0 238.330 4.374 10 0 BIAERN O[C@@H](c1cc2c(s1)CCCCC2)C1=CCCC1 ZINC000050329178 183218221 /nfs/dbraw/zinc/21/82/21/183218221.db2.gz GSMMGFBUJXOUEZ-OAHLLOKOSA-N 0 0 248.391 4.161 10 0 BIAERN CC[C@H](C)[C@@H](c1ccccc1)[C@H](O)C1=CCCC1 ZINC000050329273 171381434 /nfs/dbraw/zinc/38/14/34/171381434.db2.gz KZPXWGCIKFACJR-RRQGHBQHSA-N 0 0 244.378 4.288 10 0 BIAERN Cc1cc(C)cc([C@@H](O)C2=CCCCCC2)c1 ZINC000050329543 177916071 /nfs/dbraw/zinc/91/60/71/177916071.db2.gz OKCOSRWUABOQHK-INIZCTEOSA-N 0 0 230.351 4.227 10 0 BIAERN CC(C)(c1ccccc1)[C@H](O)C1=CCCCCC1 ZINC000050329574 187395877 /nfs/dbraw/zinc/39/58/77/187395877.db2.gz TYPYQXUNGDTBKU-MRXNPFEDSA-N 0 0 244.378 4.216 10 0 BIAERN CC(C)(c1ccccc1)[C@@H](O)C1=CCCCCC1 ZINC000050329575 187395466 /nfs/dbraw/zinc/39/54/66/187395466.db2.gz TYPYQXUNGDTBKU-INIZCTEOSA-N 0 0 244.378 4.216 10 0 BIAERN Cc1ccc([C@@H](O)C2=CCCCCC2)cc1C ZINC000050329615 178862944 /nfs/dbraw/zinc/86/29/44/178862944.db2.gz AOIKCXWAQHKHML-INIZCTEOSA-N 0 0 230.351 4.227 10 0 BIAERN Cc1ccccc1N[C@@H](C)c1ccsc1 ZINC000050338354 322850921 /nfs/dbraw/zinc/85/09/21/322850921.db2.gz HZRVWGJYQYILBW-NSHDSACASA-N 0 0 217.337 4.230 10 0 BIAERN Cc1ccccc1N[C@H](C)c1ccsc1 ZINC000050338357 397971027 /nfs/dbraw/zinc/97/10/27/397971027.db2.gz HZRVWGJYQYILBW-LLVKDONJSA-N 0 0 217.337 4.230 10 0 BIAERN CCC[C@@H](CC)n1c(C)cc2c1CCCC2=O ZINC000050407993 169381768 /nfs/dbraw/zinc/38/17/68/169381768.db2.gz ZILRSVFPTNTEAZ-GFCCVEGCSA-N 0 0 233.355 4.067 10 0 BIAERN CC[C@H](C)COc1ccc2ccccc2c1C=O ZINC000050424761 171291753 /nfs/dbraw/zinc/29/17/53/171291753.db2.gz GHTHDMIXUDPVOK-LBPRGKRZSA-N 0 0 242.318 4.077 10 0 BIAERN Cc1cc(CNc2cccc(Cl)c2)ccc1F ZINC000050544615 178043590 /nfs/dbraw/zinc/04/35/90/178043590.db2.gz XFCJXYNXORSMFF-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN Cc1cc(CNc2ccc(Cl)cc2)ccc1F ZINC000050544617 178043354 /nfs/dbraw/zinc/04/33/54/178043354.db2.gz BJPJGRVDCPHNTP-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN Cc1cc(CNc2ccccc2Cl)ccc1F ZINC000050544623 178044554 /nfs/dbraw/zinc/04/45/54/178044554.db2.gz UFIFMWNNLBFRSP-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN Cc1ccc(NCc2ccc(F)c(C)c2)cc1F ZINC000050544634 178043303 /nfs/dbraw/zinc/04/33/03/178043303.db2.gz HDEDMOFQFWHZEM-UHFFFAOYSA-N 0 0 247.288 4.194 10 0 BIAERN Cc1cc(CNc2ccc(F)cc2C)ccc1F ZINC000050544639 178043584 /nfs/dbraw/zinc/04/35/84/178043584.db2.gz PEKZNKQHDXXNAQ-UHFFFAOYSA-N 0 0 247.288 4.194 10 0 BIAERN Cc1cc(F)ccc1CNc1cccc(Cl)c1 ZINC000050569081 178086601 /nfs/dbraw/zinc/08/66/01/178086601.db2.gz QOGKTRFTABKKTI-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN Cc1cc(F)ccc1CNc1ccc(Cl)cc1 ZINC000050569083 178087667 /nfs/dbraw/zinc/08/76/67/178087667.db2.gz YZMCOAJOLJZDLX-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN Cc1cc(F)ccc1CNc1ccccc1Cl ZINC000050569090 178086656 /nfs/dbraw/zinc/08/66/56/178086656.db2.gz PKIPZMBRVSRJSK-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN Cc1cc(F)ccc1CNc1ccc(F)cc1C ZINC000050569114 178087633 /nfs/dbraw/zinc/08/76/33/178087633.db2.gz MAVCOPISCNZZAZ-UHFFFAOYSA-N 0 0 247.288 4.194 10 0 BIAERN Cc1cccc(NCc2ccc(F)cc2C)c1C ZINC000050569122 178087603 /nfs/dbraw/zinc/08/76/03/178087603.db2.gz APINQMINBBNFRA-UHFFFAOYSA-N 0 0 243.325 4.363 10 0 BIAERN Cc1cc(Oc2cccc(Cl)c2)ccc1C=O ZINC000050575584 178214124 /nfs/dbraw/zinc/21/41/24/178214124.db2.gz GHHBGIAICMJDID-UHFFFAOYSA-N 0 0 246.693 4.253 10 0 BIAERN Clc1nc(C2CCCC2)nc2sccc21 ZINC000050790754 345267658 /nfs/dbraw/zinc/26/76/58/345267658.db2.gz MHLXRUHEGWRDDO-UHFFFAOYSA-N 0 0 238.743 4.002 10 0 BIAERN Cc1cccnc1N[C@@H](c1cccs1)C(C)C ZINC000051041135 179394505 /nfs/dbraw/zinc/39/45/05/179394505.db2.gz VZKVHRHXULFWHD-CYBMUJFWSA-N 0 0 246.379 4.261 10 0 BIAERN Cc1cccnc1N[C@H](c1cccs1)C(C)C ZINC000051041136 179396214 /nfs/dbraw/zinc/39/62/14/179396214.db2.gz VZKVHRHXULFWHD-ZDUSSCGKSA-N 0 0 246.379 4.261 10 0 BIAERN Cc1cc2nc(/C=C\c3ccccc3)[nH]c2cc1C ZINC000051105102 178299838 /nfs/dbraw/zinc/29/98/38/178299838.db2.gz QGGGLPCASLWQFW-HJWRWDBZSA-N 0 0 248.329 4.350 10 0 BIAERN CCC[C@@H](C)COc1ccccc1C(=O)CC ZINC000051320603 169361296 /nfs/dbraw/zinc/36/12/96/169361296.db2.gz HWYOZAVVIYBCQM-GFCCVEGCSA-N 0 0 234.339 4.094 10 0 BIAERN CCC[C@H](C)COc1ccccc1C(=O)CC ZINC000051320604 169483804 /nfs/dbraw/zinc/48/38/04/169483804.db2.gz HWYOZAVVIYBCQM-LBPRGKRZSA-N 0 0 234.339 4.094 10 0 BIAERN CC[C@H](Nc1ccc(Cl)cn1)c1ccccc1 ZINC000051628891 384703384 /nfs/dbraw/zinc/70/33/84/384703384.db2.gz RDGUDCPCCWHEKC-ZDUSSCGKSA-N 0 0 246.741 4.298 10 0 BIAERN CC[C@@H](Nc1ccc(Cl)cn1)c1ccccc1 ZINC000051628892 343025863 /nfs/dbraw/zinc/02/58/63/343025863.db2.gz RDGUDCPCCWHEKC-CYBMUJFWSA-N 0 0 246.741 4.298 10 0 BIAERN CC[C@H](Nc1ncccc1Cl)c1ccccc1 ZINC000051628930 384704162 /nfs/dbraw/zinc/70/41/62/384704162.db2.gz MYTLDZUQVHWHNA-ZDUSSCGKSA-N 0 0 246.741 4.298 10 0 BIAERN CC[C@@H](Nc1ncccc1Cl)c1ccccc1 ZINC000051628931 384703251 /nfs/dbraw/zinc/70/32/51/384703251.db2.gz MYTLDZUQVHWHNA-CYBMUJFWSA-N 0 0 246.741 4.298 10 0 BIAERN CCc1ccc(CNc2cccc(Cl)c2C)o1 ZINC000051721251 171813711 /nfs/dbraw/zinc/81/37/11/171813711.db2.gz NCROHAAZNHQYBM-UHFFFAOYSA-N 0 0 249.741 4.416 10 0 BIAERN CCC(CC)C(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000051754516 168343040 /nfs/dbraw/zinc/34/30/40/168343040.db2.gz DZCPEIJBKWMSAC-UHFFFAOYSA-N 0 0 246.350 4.019 10 0 BIAERN CCCOc1ccc(NCC2CCCC2)cc1 ZINC000051785535 169319889 /nfs/dbraw/zinc/31/98/89/169319889.db2.gz HHHOJSUMCXUWAD-UHFFFAOYSA-N 0 0 233.355 4.078 10 0 BIAERN c1c[nH]c(CNc2ccc(-c3ccccc3)cc2)c1 ZINC000051788697 183379387 /nfs/dbraw/zinc/37/93/87/183379387.db2.gz FUUTZSIJPIMNPS-UHFFFAOYSA-N 0 0 248.329 4.294 10 0 BIAERN Cc1cc(F)ccc1NC/C=C/c1ccccc1 ZINC000051789876 178089905 /nfs/dbraw/zinc/08/99/05/178089905.db2.gz VQYHIRCUXNCEAU-VMPITWQZSA-N 0 0 241.309 4.259 10 0 BIAERN Fc1cc(F)cc(NC/C=C/c2ccccc2)c1 ZINC000051789878 180954590 /nfs/dbraw/zinc/95/45/90/180954590.db2.gz WQRVVNBOKFGJDU-QPJJXVBHSA-N 0 0 245.272 4.090 10 0 BIAERN Cc1ccccc1NC/C=C/c1ccccc1 ZINC000051789884 179303175 /nfs/dbraw/zinc/30/31/75/179303175.db2.gz GBRCRQWGTNNSJL-YRNVUSSQSA-N 0 0 223.319 4.120 10 0 BIAERN Cc1ccc(NC/C=C/c2ccccc2)c(F)c1 ZINC000051789899 187271507 /nfs/dbraw/zinc/27/15/07/187271507.db2.gz UBKGUSZJUCLLSQ-VMPITWQZSA-N 0 0 241.309 4.259 10 0 BIAERN Fc1cccc(F)c1NC/C=C/c1ccccc1 ZINC000051789906 181000225 /nfs/dbraw/zinc/00/02/25/181000225.db2.gz TUJIIJNQTJLMTC-VMPITWQZSA-N 0 0 245.272 4.090 10 0 BIAERN O=Cc1cc(Cl)c(Cl)c(Cl)c1Cl ZINC000051943788 343630388 /nfs/dbraw/zinc/63/03/88/343630388.db2.gz PPOLBGVKMILZNX-UHFFFAOYSA-N 0 0 243.904 4.113 10 0 BIAERN Cc1cc2oc(C[NH3+])c(C3CC3)c2c(C)c1Cl ZINC000052069006 178307486 /nfs/dbraw/zinc/30/74/86/178307486.db2.gz XNJIGELUPMGRCP-UHFFFAOYSA-N 0 0 249.741 4.039 10 0 BIAERN Cc1cccc(CC(=O)c2cccc(C)c2C)c1 ZINC000052136210 179052809 /nfs/dbraw/zinc/05/28/09/179052809.db2.gz AOXGFWQTVOEWIM-UHFFFAOYSA-N 0 0 238.330 4.037 10 0 BIAERN CC(C)(C)C(=O)Cc1c(Cl)cccc1Cl ZINC000052231660 350963178 /nfs/dbraw/zinc/96/31/78/350963178.db2.gz OYPWIMFAGYEBLN-UHFFFAOYSA-N 0 0 245.149 4.151 10 0 BIAERN C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(Cl)ccc1Cl ZINC000052270245 384712559 /nfs/dbraw/zinc/71/25/59/384712559.db2.gz SPQUICLPKUBMHE-LWINAJNOSA-N 0 0 244.165 4.052 10 0 BIAERN C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(Cl)ccc1Cl ZINC000052270247 384713734 /nfs/dbraw/zinc/71/37/34/384713734.db2.gz SPQUICLPKUBMHE-UBJUHAIHSA-N 0 0 244.165 4.052 10 0 BIAERN CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000052270366 384713314 /nfs/dbraw/zinc/71/33/14/384713314.db2.gz LUUUMNXALLWQOJ-COPLHBTASA-N 0 0 243.350 4.054 10 0 BIAERN C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000052271174 384713046 /nfs/dbraw/zinc/71/30/46/384713046.db2.gz QODZTECKWSGUIT-LWINAJNOSA-N 0 0 244.165 4.052 10 0 BIAERN C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000052271180 384713358 /nfs/dbraw/zinc/71/33/58/384713358.db2.gz QODZTECKWSGUIT-RGNHYFCHSA-N 0 0 244.165 4.052 10 0 BIAERN CC[C@@H](Nc1cccc(N)c1)C1CCCCC1 ZINC000052334881 170916090 /nfs/dbraw/zinc/91/60/90/170916090.db2.gz XNWKSLRWNMSJBJ-OAHLLOKOSA-N 0 0 232.371 4.040 10 0 BIAERN CC[C@@H](Nc1ccc(C)cc1N)C1CCCCC1 ZINC000052334974 170914966 /nfs/dbraw/zinc/91/49/66/170914966.db2.gz ZHNUPYMPEWHKQJ-OAHLLOKOSA-N 0 0 246.398 4.348 10 0 BIAERN C[C@H](OCc1cccnc1Cl)c1ccccc1 ZINC000052724547 177021471 /nfs/dbraw/zinc/02/14/71/177021471.db2.gz BFKUIDYNCDCCMF-NSHDSACASA-N 0 0 247.725 4.013 10 0 BIAERN C[C@@H](OCc1cccnc1Cl)c1ccccc1 ZINC000052724550 176002928 /nfs/dbraw/zinc/00/29/28/176002928.db2.gz BFKUIDYNCDCCMF-LLVKDONJSA-N 0 0 247.725 4.013 10 0 BIAERN CCC(=O)c1cccc(-c2ccccc2F)c1 ZINC000052887741 168257095 /nfs/dbraw/zinc/25/70/95/168257095.db2.gz ICOPXWBUQRBNEP-UHFFFAOYSA-N 0 0 228.266 4.085 10 0 BIAERN Cc1ccc(C(=O)Cc2cc(C)ccc2C)s1 ZINC000053142140 187954113 /nfs/dbraw/zinc/95/41/13/187954113.db2.gz IJXVISDCVUETHE-UHFFFAOYSA-N 0 0 244.359 4.099 10 0 BIAERN Cc1ccsc1C(=O)Cc1cc(C)ccc1C ZINC000053142203 187271586 /nfs/dbraw/zinc/27/15/86/187271586.db2.gz HMINXUBOMAISQG-UHFFFAOYSA-N 0 0 244.359 4.099 10 0 BIAERN COC[C@@H](C)Nc1ccc(C(C)C)cc1C(C)C ZINC000053173514 174461932 /nfs/dbraw/zinc/46/19/32/174461932.db2.gz PNRUNGXDEMIXQP-CYBMUJFWSA-N 0 0 249.398 4.380 10 0 BIAERN FC(F)(F)c1ccc2[nH]c3ccccc3c2c1 ZINC000053243063 180893088 /nfs/dbraw/zinc/89/30/88/180893088.db2.gz 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/nfs/dbraw/zinc/85/08/62/178850862.db2.gz YTYZLOBHHFOMHZ-LLVKDONJSA-N 0 0 246.379 4.120 10 0 BIAERN CCCCC(=O)c1cccc(C(F)(F)F)c1 ZINC000053763222 348728460 /nfs/dbraw/zinc/72/84/60/348728460.db2.gz KBVQREWJMPESHT-UHFFFAOYSA-N 0 0 230.229 4.078 10 0 BIAERN CCCCCCC(=O)c1ccccc1C ZINC000053765453 357171502 /nfs/dbraw/zinc/17/15/02/357171502.db2.gz OLRWECDRQKACLW-UHFFFAOYSA-N 0 0 204.313 4.148 10 0 BIAERN CCCCCCC(=O)c1cccc(C)c1 ZINC000053765549 357171609 /nfs/dbraw/zinc/17/16/09/357171609.db2.gz IMWRXCDYBWOZTQ-UHFFFAOYSA-N 0 0 204.313 4.148 10 0 BIAERN O=C(Cc1ccc(Cl)s1)C1CCCCC1 ZINC000053765860 357171589 /nfs/dbraw/zinc/17/15/89/357171589.db2.gz CBIRVJMSWOPUQO-UHFFFAOYSA-N 0 0 242.771 4.093 10 0 BIAERN CCCCCC[C@H](O)c1ccc(Cl)cc1 ZINC000053781986 168679934 /nfs/dbraw/zinc/67/99/34/168679934.db2.gz LJUMUOIYYHZFOC-ZDUSSCGKSA-N 0 0 226.747 4.344 10 0 BIAERN CC(C)c1ccc([C@@H](O)Cc2cccs2)cc1 ZINC000053782315 167615266 /nfs/dbraw/zinc/61/52/66/167615266.db2.gz WZAZPEPOJXSVTG-HNNXBMFYSA-N 0 0 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CC(C)Oc1ccc(N[C@H](C)C2CCCC2)cc1 ZINC000054077984 167297269 /nfs/dbraw/zinc/29/72/69/167297269.db2.gz PLSJVSUMNPYIIU-CYBMUJFWSA-N 0 0 247.382 4.464 10 0 BIAERN O=C(c1cc2cc(Cl)ccc2o1)C1CCCC1 ZINC000054078449 182653130 /nfs/dbraw/zinc/65/31/30/182653130.db2.gz GEMNJMFUCTVDAM-UHFFFAOYSA-N 0 0 248.709 4.459 10 0 BIAERN Cc1cc(N(C)C)ccc1N[C@@H](C)C1CCCC1 ZINC000054078634 178095701 /nfs/dbraw/zinc/09/57/01/178095701.db2.gz FAPJJOGJUKPJTM-ZDUSSCGKSA-N 0 0 246.398 4.052 10 0 BIAERN Cc1cc(N(C)C)ccc1N[C@H](C)C1CCCC1 ZINC000054078636 178095969 /nfs/dbraw/zinc/09/59/69/178095969.db2.gz FAPJJOGJUKPJTM-CYBMUJFWSA-N 0 0 246.398 4.052 10 0 BIAERN CCOCc1ccccc1N[C@@H](C)C1CCCC1 ZINC000054080330 170459037 /nfs/dbraw/zinc/45/90/37/170459037.db2.gz SGBHMDOYWFZXFE-ZDUSSCGKSA-N 0 0 247.382 4.214 10 0 BIAERN CC[C@H](Nc1ccc(OC)c(C)c1)c1ccco1 ZINC000054106469 171550936 /nfs/dbraw/zinc/55/09/36/171550936.db2.gz JQWDLMZLPSFGDB-ZDUSSCGKSA-N 0 0 245.322 4.160 10 0 BIAERN CC[C@H](Nc1cccc(F)c1C)c1ccco1 ZINC000054106511 171552172 /nfs/dbraw/zinc/55/21/72/171552172.db2.gz OTMKUPFPKIRDOV-LBPRGKRZSA-N 0 0 233.286 4.290 10 0 BIAERN CC[C@H](O)c1ccc(-c2cc(C)ccc2C)o1 ZINC000054107444 171580815 /nfs/dbraw/zinc/58/08/15/171580815.db2.gz HHVYSEFPOSKHHW-ZDUSSCGKSA-N 0 0 230.307 4.007 10 0 BIAERN CC1CCC(Nc2ccc3ncccc3c2)CC1 ZINC000054107813 168165718 /nfs/dbraw/zinc/16/57/18/168165718.db2.gz LHACQNYYKPIAQH-UHFFFAOYSA-N 0 0 240.350 4.225 10 0 BIAERN C[C@@H]1CCCC[C@@H]1Nc1ccc2ncccc2c1 ZINC000054107822 176081943 /nfs/dbraw/zinc/08/19/43/176081943.db2.gz LYSNNSJGDRGQCX-DOMZBBRYSA-N 0 0 240.350 4.225 10 0 BIAERN C[C@H]1CCCC[C@@H]1Nc1ccc2ncccc2c1 ZINC000054107823 177083660 /nfs/dbraw/zinc/08/36/60/177083660.db2.gz LYSNNSJGDRGQCX-WFASDCNBSA-N 0 0 240.350 4.225 10 0 BIAERN C[C@@H]1CCCC[C@H]1Nc1ccc2ncccc2c1 ZINC000054107824 176089241 /nfs/dbraw/zinc/08/92/41/176089241.db2.gz LYSNNSJGDRGQCX-IUODEOHRSA-N 0 0 240.350 4.225 10 0 BIAERN C[C@H]1CCCC[C@H]1Nc1ccc2ncccc2c1 ZINC000054107825 177089517 /nfs/dbraw/zinc/08/95/17/177089517.db2.gz LYSNNSJGDRGQCX-SWLSCSKDSA-N 0 0 240.350 4.225 10 0 BIAERN CCC[C@@H](C)CNc1ccc2ncccc2c1 ZINC000054107968 169360588 /nfs/dbraw/zinc/36/05/88/169360588.db2.gz DWBFUTUTQKLYMS-GFCCVEGCSA-N 0 0 228.339 4.083 10 0 BIAERN Nc1ccccc1Sc1cccc(Cl)c1 ZINC000054185075 181758319 /nfs/dbraw/zinc/75/83/19/181758319.db2.gz SORURRBFTXSYON-UHFFFAOYSA-N 0 0 235.739 4.073 10 0 BIAERN CCC(C)(C)C(=O)c1c(C)cc(C)cc1C ZINC000054402061 363075764 /nfs/dbraw/zinc/07/57/64/363075764.db2.gz ASSTYDBYEMIRKD-UHFFFAOYSA-N 0 0 218.340 4.231 10 0 BIAERN CCCc1ccc(C(=O)C(C)(C)CC)cc1 ZINC000054402065 363075926 /nfs/dbraw/zinc/07/59/26/363075926.db2.gz AWUGLCKQYUYDER-UHFFFAOYSA-N 0 0 218.340 4.258 10 0 BIAERN CCC(C)(C)C(=O)c1ccc(Cl)s1 ZINC000054402082 346712665 /nfs/dbraw/zinc/71/26/65/346712665.db2.gz FHVDTICLKKPIHE-UHFFFAOYSA-N 0 0 216.733 4.020 10 0 BIAERN CCC(C)(C)C(=O)c1c(C)[nH]c2ccccc21 ZINC000054402090 168270732 /nfs/dbraw/zinc/27/07/32/168270732.db2.gz 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/nfs/dbraw/zinc/03/33/73/349033373.db2.gz WKVXCLWKQJQKQJ-UHFFFAOYSA-N 0 0 226.319 4.459 10 0 BIAERN CC[C@H](C)CC(=O)c1ccc2ccccc2c1 ZINC000054439821 171264265 /nfs/dbraw/zinc/26/42/65/171264265.db2.gz CROVYSAFFVQCRB-LBPRGKRZSA-N 0 0 226.319 4.459 10 0 BIAERN CC(C)CC(=O)c1ccc2ccccc2c1 ZINC000054439889 363117573 /nfs/dbraw/zinc/11/75/73/363117573.db2.gz XMRQWSKNPWUIOT-UHFFFAOYSA-N 0 0 212.292 4.069 10 0 BIAERN O=C(c1ccc2ccccc2c1)C1CCCC1 ZINC000054439897 385270693 /nfs/dbraw/zinc/27/06/93/385270693.db2.gz SXOAWTFLZSBXKD-UHFFFAOYSA-N 0 0 224.303 4.213 10 0 BIAERN O[C@@H](c1ccc2ccccc2c1)C1CCCC1 ZINC000054439965 183185585 /nfs/dbraw/zinc/18/55/85/183185585.db2.gz GWWXMSYXPJRFJE-MRXNPFEDSA-N 0 0 226.319 4.063 10 0 BIAERN O[C@H](c1ccc2ccccc2c1)C1CCCC1 ZINC000054439969 183229682 /nfs/dbraw/zinc/22/96/82/183229682.db2.gz GWWXMSYXPJRFJE-INIZCTEOSA-N 0 0 226.319 4.063 10 0 BIAERN CC[C@H](C)Cn1c(-c2ccccc2)c[nH]c1=S ZINC000054489532 171301189 /nfs/dbraw/zinc/30/11/89/171301189.db2.gz NICAPFDPAFCPMD-NSHDSACASA-N 0 0 246.379 4.259 10 0 BIAERN Cc1cccc(C[C@@H]2C[C@H](C(C)C)CCC2=O)c1 ZINC000054629989 179104523 /nfs/dbraw/zinc/10/45/23/179104523.db2.gz MRLCXJZFGMIYFV-HZPDHXFCSA-N 0 0 244.378 4.179 10 0 BIAERN Cc1cccc(C[C@H]2C[C@H](C(C)C)CCC2=O)c1 ZINC000054629991 179106139 /nfs/dbraw/zinc/10/61/39/179106139.db2.gz MRLCXJZFGMIYFV-CVEARBPZSA-N 0 0 244.378 4.179 10 0 BIAERN Cc1cccc(C[C@@H]2C[C@@H](C(C)C)CCC2=O)c1 ZINC000054629993 179105003 /nfs/dbraw/zinc/10/50/03/179105003.db2.gz MRLCXJZFGMIYFV-JKSUJKDBSA-N 0 0 244.378 4.179 10 0 BIAERN Cc1cccc(C[C@H]2C[C@@H](C(C)C)CCC2=O)c1 ZINC000054629995 179105762 /nfs/dbraw/zinc/10/57/62/179105762.db2.gz MRLCXJZFGMIYFV-HOTGVXAUSA-N 0 0 244.378 4.179 10 0 BIAERN CC(C)[C@H]1CCC(=O)[C@H](CC2CCCC2)C1 ZINC000054630094 188178748 /nfs/dbraw/zinc/17/87/48/188178748.db2.gz RGADPFQBPAZBDV-UONOGXRCSA-N 0 0 222.372 4.208 10 0 BIAERN CC(C)[C@@H]1CCC(=O)[C@@H](CC2CCCC2)C1 ZINC000054630096 167466276 /nfs/dbraw/zinc/46/62/76/167466276.db2.gz RGADPFQBPAZBDV-KGLIPLIRSA-N 0 0 222.372 4.208 10 0 BIAERN CC(C)[C@H]1CCC(=O)[C@@H](CC2CCCC2)C1 ZINC000054630098 188007280 /nfs/dbraw/zinc/00/72/80/188007280.db2.gz RGADPFQBPAZBDV-KBPBESRZSA-N 0 0 222.372 4.208 10 0 BIAERN CCCCOc1ccc(-c2csc(C)n2)cc1 ZINC000054643070 168916902 /nfs/dbraw/zinc/91/69/02/168916902.db2.gz WRLMYTUCPMDAPJ-UHFFFAOYSA-N 0 0 247.363 4.297 10 0 BIAERN CCC(CC)C(=O)[C@@H]1CCCc2ccccc21 ZINC000054669105 168343065 /nfs/dbraw/zinc/34/30/65/168343065.db2.gz PJTLQIVLXDKBIZ-OAHLLOKOSA-N 0 0 230.351 4.112 10 0 BIAERN CCC(CC)C(=O)[C@H]1CCCc2ccccc21 ZINC000054669106 168342753 /nfs/dbraw/zinc/34/27/53/168342753.db2.gz PJTLQIVLXDKBIZ-HNNXBMFYSA-N 0 0 230.351 4.112 10 0 BIAERN Cc1ccccc1CSc1cc(N)ccc1C ZINC000054963746 179287411 /nfs/dbraw/zinc/28/74/11/179287411.db2.gz XFIPEQGJOIGEKD-UHFFFAOYSA-N 0 0 243.375 4.178 10 0 BIAERN Cc1cccc(CSc2cc(N)cc(F)c2)c1 ZINC000054965271 188484517 /nfs/dbraw/zinc/48/45/17/188484517.db2.gz FIEYDTSIZLVBCT-UHFFFAOYSA-N 0 0 247.338 4.009 10 0 BIAERN Cc1cccc(CSc2cc(F)ccc2N)c1 ZINC000054965281 188483973 /nfs/dbraw/zinc/48/39/73/188483973.db2.gz PGJKFHRRYUHJCW-UHFFFAOYSA-N 0 0 247.338 4.009 10 0 BIAERN CC1CCC(O)(c2ccc3ccccc3c2)CC1 ZINC000055189902 168167380 /nfs/dbraw/zinc/16/73/80/168167380.db2.gz MBRBNDLJHUEGBI-UHFFFAOYSA-N 0 0 240.346 4.238 10 0 BIAERN C[C@@H]1CCCC[C@]1(O)c1ccc2ccccc2c1 ZINC000055190031 176091360 /nfs/dbraw/zinc/09/13/60/176091360.db2.gz WTQSFXCYOMFTEM-CXAGYDPISA-N 0 0 240.346 4.238 10 0 BIAERN C[C@H]1CCCC[C@]1(O)c1ccc2ccccc2c1 ZINC000055190033 177091051 /nfs/dbraw/zinc/09/10/51/177091051.db2.gz WTQSFXCYOMFTEM-SUMWQHHRSA-N 0 0 240.346 4.238 10 0 BIAERN C[C@@H]1CCCC[C@@]1(O)c1ccc2ccccc2c1 ZINC000055190035 176083709 /nfs/dbraw/zinc/08/37/09/176083709.db2.gz WTQSFXCYOMFTEM-DYVFJYSZSA-N 0 0 240.346 4.238 10 0 BIAERN C[C@H]1CCCC[C@@]1(O)c1ccc2ccccc2c1 ZINC000055190037 177085256 /nfs/dbraw/zinc/08/52/56/177085256.db2.gz WTQSFXCYOMFTEM-GUYCJALGSA-N 0 0 240.346 4.238 10 0 BIAERN CCC(O)(CC)c1cc(Cl)ccc1Cl ZINC000055191930 347372275 /nfs/dbraw/zinc/37/22/75/347372275.db2.gz CQQNSHKNNBGGMB-UHFFFAOYSA-N 0 0 233.138 4.001 10 0 BIAERN Cc1cc(F)ccc1C(=O)c1ccc(Cl)cc1 ZINC000055199075 369141323 /nfs/dbraw/zinc/14/13/23/369141323.db2.gz YHYFLLPLTHENEK-UHFFFAOYSA-N 0 0 248.684 4.019 10 0 BIAERN Cc1cc(F)ccc1C(=O)c1cccc(Cl)c1 ZINC000055199115 369140937 /nfs/dbraw/zinc/14/09/37/369140937.db2.gz OOFCUHAWXWYXFU-UHFFFAOYSA-N 0 0 248.684 4.019 10 0 BIAERN Cc1ccc(F)c(C(=O)c2cccc(Cl)c2)c1 ZINC000055199118 178671285 /nfs/dbraw/zinc/67/12/85/178671285.db2.gz AOLZOMGNYMAEOV-UHFFFAOYSA-N 0 0 248.684 4.019 10 0 BIAERN O=C(c1ccsc1)c1ccc2ccccc2c1 ZINC000055199293 182696103 /nfs/dbraw/zinc/69/61/03/182696103.db2.gz VVZAMWUYUAMOAI-UHFFFAOYSA-N 0 0 238.311 4.132 10 0 BIAERN Cc1ccc(F)c(C(=O)[C@H]2CCC[C@@H](C)C2)c1 ZINC000055200298 178672159 /nfs/dbraw/zinc/67/21/59/178672159.db2.gz XJBSOUNGQKVRJG-PWSUYJOCSA-N 0 0 234.314 4.143 10 0 BIAERN Cc1cc(F)ccc1C(=O)c1ccccc1Cl ZINC000055200406 369142035 /nfs/dbraw/zinc/14/20/35/369142035.db2.gz FRNNRRYMKZVMPB-UHFFFAOYSA-N 0 0 248.684 4.019 10 0 BIAERN O=C1CCCC[C@H]1c1cccc(Cl)c1Cl ZINC000055230499 369150398 /nfs/dbraw/zinc/15/03/98/369150398.db2.gz BCKWRFJGVFVCLF-QMMMGPOBSA-N 0 0 243.133 4.220 10 0 BIAERN O=C1CCCC[C@@H]1c1cccc(Cl)c1Cl ZINC000055230501 369151217 /nfs/dbraw/zinc/15/12/17/369151217.db2.gz BCKWRFJGVFVCLF-MRVPVSSYSA-N 0 0 243.133 4.220 10 0 BIAERN CC(C)c1ccc([C@@H]2CCCCCC2=O)cc1 ZINC000055241580 640449035 /nfs/dbraw/zinc/44/90/35/640449035.db2.gz MXTYRXRPNNONBS-HNNXBMFYSA-N 0 0 230.351 4.427 10 0 BIAERN CC(C)c1ccc([C@H]2CCCCCC2=O)cc1 ZINC000055241581 640450785 /nfs/dbraw/zinc/45/07/85/640450785.db2.gz MXTYRXRPNNONBS-OAHLLOKOSA-N 0 0 230.351 4.427 10 0 BIAERN CCCc1ccc(C(=O)Cc2cccs2)cc1 ZINC000055241879 369158145 /nfs/dbraw/zinc/15/81/45/369158145.db2.gz SGNKBLWOUVUGLH-UHFFFAOYSA-N 0 0 244.359 4.126 10 0 BIAERN CCCc1ccc([C@@H]2CCCCCC2=O)cc1 ZINC000055242213 640450487 /nfs/dbraw/zinc/45/04/87/640450487.db2.gz JHZVYVXMIWAHII-HNNXBMFYSA-N 0 0 230.351 4.256 10 0 BIAERN CCCc1ccc([C@H]2CCCCCC2=O)cc1 ZINC000055242215 640449325 /nfs/dbraw/zinc/44/93/25/640449325.db2.gz JHZVYVXMIWAHII-OAHLLOKOSA-N 0 0 230.351 4.256 10 0 BIAERN CCCOc1ccc(-c2ccc(C)c(N)c2)cc1 ZINC000055243948 169316729 /nfs/dbraw/zinc/31/67/29/169316729.db2.gz ZIGOLKQQHLQTRG-UHFFFAOYSA-N 0 0 241.334 4.033 10 0 BIAERN CCCOc1ccc(-c2cc(C)ccc2N)cc1 ZINC000055243966 169316390 /nfs/dbraw/zinc/31/63/90/169316390.db2.gz HHENPXDNLSVSJA-UHFFFAOYSA-N 0 0 241.334 4.033 10 0 BIAERN CCCOc1ccc(C(=O)CCC(C)C)cc1 ZINC000055262634 169317128 /nfs/dbraw/zinc/31/71/28/169317128.db2.gz PXDRHQNMKXZYQH-UHFFFAOYSA-N 0 0 234.339 4.094 10 0 BIAERN CC[C@H](C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000055270298 171257488 /nfs/dbraw/zinc/25/74/88/171257488.db2.gz BJDZXTPPBVGQSA-IKMFHRHGSA-N 0 0 234.383 4.208 10 0 BIAERN CCC[C@@H](C)c1noc(N)c1-c1cccc(C)c1 ZINC000055332409 169375558 /nfs/dbraw/zinc/37/55/58/169375558.db2.gz PKRQVQSHKUXYAX-LLVKDONJSA-N 0 0 244.338 4.136 10 0 BIAERN CC(C)c1nc2ccccc2n1C(F)=C(F)F ZINC000057354522 519869334 /nfs/dbraw/zinc/86/93/34/519869334.db2.gz JFBYWRJJQFZHSK-UHFFFAOYSA-N 0 0 240.228 4.152 10 0 BIAERN Clc1ccc2[nH]c3c(c2c1)CCCCCC3 ZINC000057360138 526964724 /nfs/dbraw/zinc/96/47/24/526964724.db2.gz NBVRXXAJFQGMLY-UHFFFAOYSA-N 0 0 233.742 4.480 10 0 BIAERN CC(C)(C)[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000057360151 518944418 /nfs/dbraw/zinc/94/44/18/518944418.db2.gz UPYKSFQKCMCYPK-SNVBAGLBSA-N 0 0 245.341 4.458 10 0 BIAERN CC(C)(C)[C@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000057360154 518978155 /nfs/dbraw/zinc/97/81/55/518978155.db2.gz UPYKSFQKCMCYPK-JTQLQIEISA-N 0 0 245.341 4.458 10 0 BIAERN CCCNc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000057382501 169296098 /nfs/dbraw/zinc/29/60/98/169296098.db2.gz BEQWTVDXSUJJIZ-UHFFFAOYSA-N 0 0 246.379 4.249 10 0 BIAERN Cc1ccc(C(=O)[C@@H](C)SC2CCCC2)cc1 ZINC000057406815 384942394 /nfs/dbraw/zinc/94/23/94/384942394.db2.gz WILDZPRIDBQMPO-GFCCVEGCSA-N 0 0 248.391 4.242 10 0 BIAERN Cc1ccc(C(=O)[C@H](C)SC2CCCC2)cc1 ZINC000057406816 178446702 /nfs/dbraw/zinc/44/67/02/178446702.db2.gz WILDZPRIDBQMPO-LBPRGKRZSA-N 0 0 248.391 4.242 10 0 BIAERN Cc1ccc(C(=O)CSC2CCCC2)cc1C ZINC000057406830 526050354 /nfs/dbraw/zinc/05/03/54/526050354.db2.gz HLUYOWORVICEHJ-UHFFFAOYSA-N 0 0 248.391 4.162 10 0 BIAERN Cc1cc(NC2CCCCCCC2)ccc1N ZINC000057454374 178155383 /nfs/dbraw/zinc/15/53/83/178155383.db2.gz FZFXGGHGOIUKKA-UHFFFAOYSA-N 0 0 232.371 4.102 10 0 BIAERN Cc1nc(-c2ccc(CC(C)C)cc2)cs1 ZINC000057519761 179863219 /nfs/dbraw/zinc/86/32/19/179863219.db2.gz LOULSDHKNBPMBF-UHFFFAOYSA-N 0 0 231.364 4.317 10 0 BIAERN c1cc2c(cc1C1CCCCC1)NCCCC2 ZINC000057953388 183366778 /nfs/dbraw/zinc/36/67/78/183366778.db2.gz YWWTWFHTKDBQNA-UHFFFAOYSA-N 0 0 229.367 4.483 10 0 BIAERN O=C1CCCc2ccc(C3CCCCC3)cc2N1 ZINC000057955783 385650270 /nfs/dbraw/zinc/65/02/70/385650270.db2.gz UFMYMEJUTALEKP-UHFFFAOYSA-N 0 0 243.350 4.009 10 0 BIAERN CC1=NC(=S)SC1c1ccccc1Cl ZINC000058003707 180029858 /nfs/dbraw/zinc/02/98/58/180029858.db2.gz AKZFDEHLIMONRU-UHFFFAOYSA-N 0 0 241.768 4.061 10 0 BIAERN CC1=NC(=S)SC1c1ccc(Cl)cc1 ZINC000058003709 180028514 /nfs/dbraw/zinc/02/85/14/180028514.db2.gz WILKMFHGLJQYOG-UHFFFAOYSA-N 0 0 241.768 4.061 10 0 BIAERN CC1=NC(=S)SC1c1cccc(Cl)c1 ZINC000058003710 180029739 /nfs/dbraw/zinc/02/97/39/180029739.db2.gz BKHUKWLLGABWAT-UHFFFAOYSA-N 0 0 241.768 4.061 10 0 BIAERN CCCCC(=O)c1ccc(SCC)cc1 ZINC000058016010 388372328 /nfs/dbraw/zinc/37/23/28/388372328.db2.gz BKYXQYPQSIPCMI-UHFFFAOYSA-N 0 0 222.353 4.172 10 0 BIAERN CCSc1ccc(C(=O)C(CC)CC)cc1 ZINC000058016746 170654240 /nfs/dbraw/zinc/65/42/40/170654240.db2.gz WGLDCMGOWWSGMS-UHFFFAOYSA-N 0 0 236.380 4.418 10 0 BIAERN CCC(CC)C(=O)c1ccc(SC)cc1 ZINC000058016748 168342256 /nfs/dbraw/zinc/34/22/56/168342256.db2.gz WZTYCTRJABVFNI-UHFFFAOYSA-N 0 0 222.353 4.027 10 0 BIAERN CCSc1ccc(C(=O)CC(C)C)cc1 ZINC000058017462 388372147 /nfs/dbraw/zinc/37/21/47/388372147.db2.gz TYPFGWHXPIRIMW-UHFFFAOYSA-N 0 0 222.353 4.027 10 0 BIAERN Cc1cc(N[C@H](C)CCCC(C)C)ccc1N ZINC000058754297 178185618 /nfs/dbraw/zinc/18/56/18/178185618.db2.gz AAIZXJYKDFLJEH-CYBMUJFWSA-N 0 0 234.387 4.204 10 0 BIAERN CCNc1ccc(Oc2ccc(C)cc2)cc1 ZINC000058798808 170174711 /nfs/dbraw/zinc/17/47/11/170174711.db2.gz TYDYXLQIECYZPL-UHFFFAOYSA-N 0 0 227.307 4.219 10 0 BIAERN CC(=O)c1ccc(Oc2ccccc2)c(Cl)c1 ZINC000058826090 385029037 /nfs/dbraw/zinc/02/90/37/385029037.db2.gz ZGASIJYUWAELJS-UHFFFAOYSA-N 0 0 246.693 4.335 10 0 BIAERN C[C@H](O)c1ccc(Oc2ccccc2)c(Cl)c1 ZINC000058826146 177017285 /nfs/dbraw/zinc/01/72/85/177017285.db2.gz VPJQOCBGNRISCQ-JTQLQIEISA-N 0 0 248.709 4.186 10 0 BIAERN C[C@@H](O)c1ccc(Oc2ccccc2)c(Cl)c1 ZINC000058826151 175999099 /nfs/dbraw/zinc/99/90/99/175999099.db2.gz VPJQOCBGNRISCQ-SNVBAGLBSA-N 0 0 248.709 4.186 10 0 BIAERN Cc1ccc2oc(C3CCCCC3)nc2c1 ZINC000058867209 178988740 /nfs/dbraw/zinc/98/87/40/178988740.db2.gz MEFCUKLZDOLDJA-UHFFFAOYSA-N 0 0 215.296 4.184 10 0 BIAERN CC(=O)c1cc2c(cc1C)C(C)(C)CC2(C)C ZINC000059021729 349197797 /nfs/dbraw/zinc/19/77/97/349197797.db2.gz NXZXIRASFRAGRZ-UHFFFAOYSA-N 0 0 230.351 4.157 10 0 BIAERN Cc1ccc2c(cccc2C(F)(F)F)c1 ZINC000059022678 372128321 /nfs/dbraw/zinc/12/83/21/372128321.db2.gz LVQJSIRDFRWMNL-UHFFFAOYSA-N 0 0 210.198 4.167 10 0 BIAERN Fc1ccc(-c2c[nH]c3ccc(F)cc32)cc1 ZINC000059051531 385038756 /nfs/dbraw/zinc/03/87/56/385038756.db2.gz DDWJNBWDHCWLNM-UHFFFAOYSA-N 0 0 229.229 4.113 10 0 BIAERN Fc1ccc(-c2n[nH]c3cc(Cl)ccc32)cc1 ZINC000059051557 385039554 /nfs/dbraw/zinc/03/95/54/385039554.db2.gz PMJAMNSDDGEJSI-UHFFFAOYSA-N 0 0 246.672 4.022 10 0 BIAERN CC(C)(C)C1CCC(C)(Br)CC1 ZINC000059061412 368334227 /nfs/dbraw/zinc/33/42/27/368334227.db2.gz OURANNZNSSCGAJ-UHFFFAOYSA-N 0 0 233.193 4.376 10 0 BIAERN Cc1ccc(-c2ccc(Cl)c(F)c2)cc1 ZINC000059080933 178324530 /nfs/dbraw/zinc/32/45/30/178324530.db2.gz LNIBSYDMBJQQMY-UHFFFAOYSA-N 0 0 220.674 4.455 10 0 BIAERN Cc1cccc(-c2ccc(Cl)c(F)c2)c1 ZINC000059080934 178993714 /nfs/dbraw/zinc/99/37/14/178993714.db2.gz SKTRJJXAWGJZJO-UHFFFAOYSA-N 0 0 220.674 4.455 10 0 BIAERN Cc1ccccc1-c1ccc(Cl)c(F)c1 ZINC000059080938 179236055 /nfs/dbraw/zinc/23/60/55/179236055.db2.gz PKZUMGKPCOOTEB-UHFFFAOYSA-N 0 0 220.674 4.455 10 0 BIAERN Cc1cc2nc(-c3ccccc3)oc2cc1C ZINC000059092217 178300183 /nfs/dbraw/zinc/30/01/83/178300183.db2.gz VWFPWLFSBSOZMN-UHFFFAOYSA-N 0 0 223.275 4.112 10 0 BIAERN Cc1c(C(F)(F)F)cccc1C(F)(F)F ZINC000059130300 353126039 /nfs/dbraw/zinc/12/60/39/353126039.db2.gz FQWDIUNLORWCJN-UHFFFAOYSA-N 0 0 228.135 4.033 10 0 BIAERN C[C@@H]1Cc2cccc(-c3ccccc3)c2C1 ZINC000059134733 176450847 /nfs/dbraw/zinc/45/08/47/176450847.db2.gz PALKYCKNNSVUHG-GFCCVEGCSA-N 0 0 208.304 4.088 10 0 BIAERN C[C@H]1Cc2cccc(-c3ccccc3)c2C1 ZINC000059134734 177389432 /nfs/dbraw/zinc/38/94/32/177389432.db2.gz PALKYCKNNSVUHG-LBPRGKRZSA-N 0 0 208.304 4.088 10 0 BIAERN Fc1cccc(F)c1-c1nc2ccccc2s1 ZINC000059152156 181000779 /nfs/dbraw/zinc/00/07/79/181000779.db2.gz OHZGIOLGRPKMGJ-UHFFFAOYSA-N 0 0 247.269 4.242 10 0 BIAERN c1ccc(-c2ccc(-c3cccnc3)cc2)cc1 ZINC000059155138 347227327 /nfs/dbraw/zinc/22/73/27/347227327.db2.gz OIWJBXODTRCYHF-UHFFFAOYSA-N 0 0 231.298 4.416 10 0 BIAERN Clc1ccc(C2=Cc3ccccc3C2)cc1 ZINC000059188704 368334196 /nfs/dbraw/zinc/33/41/96/368334196.db2.gz UAEKWVSOCBOFHH-UHFFFAOYSA-N 0 0 226.706 4.437 10 0 BIAERN Cc1ccccc1S/C=C/C(F)(F)F ZINC000059225848 179315259 /nfs/dbraw/zinc/31/52/59/179315259.db2.gz GMJNYJCHFKFHGY-VOTSOKGWSA-N 0 0 218.243 4.163 10 0 BIAERN FC(F)(F)c1cccc2c3c([nH]c21)CCCC3 ZINC000059282629 368334306 /nfs/dbraw/zinc/33/43/06/368334306.db2.gz YZZPCAUFOBAJFV-UHFFFAOYSA-N 0 0 239.240 4.066 10 0 BIAERN Fc1cc(C(F)(F)F)cc(Cl)c1Cl ZINC000059301295 353523511 /nfs/dbraw/zinc/52/35/11/353523511.db2.gz ITMQTVPLVCGTOK-UHFFFAOYSA-N 0 0 232.991 4.151 10 0 BIAERN Cc1csc2nc(-c3cccc(Cl)c3)cn12 ZINC000059317382 349204670 /nfs/dbraw/zinc/20/46/70/349204670.db2.gz DQUODHIQAXHWEZ-UHFFFAOYSA-N 0 0 248.738 4.025 10 0 BIAERN Cc1ccc2nc(-c3cc(C)ccc3C)oc2c1 ZINC000059431915 386481895 /nfs/dbraw/zinc/48/18/95/386481895.db2.gz NMIYFALLFRPSBX-UHFFFAOYSA-N 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CCCCC[C@H]1CCc2ccc(F)c(F)c2O1 ZINC000059580881 349223726 /nfs/dbraw/zinc/22/37/26/349223726.db2.gz FAYGLXSWFMOLHU-NSHDSACASA-N 0 0 240.293 4.239 10 0 BIAERN c1ccc(-c2ccc3c(c2)NCCCC3)cc1 ZINC000059592887 368333603 /nfs/dbraw/zinc/33/36/03/368333603.db2.gz RMSKMOFADXMPRW-UHFFFAOYSA-N 0 0 223.319 4.102 10 0 BIAERN c1ccc(Oc2ccc3c(c2)NCCCC3)cc1 ZINC000059593386 368333587 /nfs/dbraw/zinc/33/35/87/368333587.db2.gz VAZAZEWZFRSVHC-UHFFFAOYSA-N 0 0 239.318 4.227 10 0 BIAERN C[C@H](Sc1cccc(N)c1)c1ccccc1 ZINC000059612213 349229150 /nfs/dbraw/zinc/22/91/50/349229150.db2.gz RMXGLJXRILYHTK-NSHDSACASA-N 0 0 229.348 4.122 10 0 BIAERN C[C@@H](Sc1cccc(N)c1)c1ccccc1 ZINC000059612219 349228735 /nfs/dbraw/zinc/22/87/35/349228735.db2.gz RMXGLJXRILYHTK-LLVKDONJSA-N 0 0 229.348 4.122 10 0 BIAERN CCC/C=C\CC/C=C/CCCCOC(C)=O ZINC000059725139 349235701 /nfs/dbraw/zinc/23/57/01/349235701.db2.gz FPIQRKOQQGYNLX-MLCWLASSSA-N 0 0 238.371 4.413 10 0 BIAERN CCC/C=C/CC/C=C\CCCCOC(C)=O ZINC000059725156 349235375 /nfs/dbraw/zinc/23/53/75/349235375.db2.gz FPIQRKOQQGYNLX-QMRMAQATSA-N 0 0 238.371 4.413 10 0 BIAERN CCC/C=C\CC/C=C\CCCCOC(C)=O ZINC000059725159 349235785 /nfs/dbraw/zinc/23/57/85/349235785.db2.gz FPIQRKOQQGYNLX-WBHJMADESA-N 0 0 238.371 4.413 10 0 BIAERN CCCCCCc1cc(SC)ccc1O ZINC000059746133 368335332 /nfs/dbraw/zinc/33/53/32/368335332.db2.gz NFSCLEXFPXJWDQ-UHFFFAOYSA-N 0 0 224.369 4.237 10 0 BIAERN CC1(C)C=C(c2ccccc2N)CC1(C)C ZINC000059755142 349252607 /nfs/dbraw/zinc/25/26/07/349252607.db2.gz KDWGURCHCRKVLM-UHFFFAOYSA-N 0 0 215.340 4.108 10 0 BIAERN CC1(C)CC(c2ccccc2N)CC1(C)C ZINC000059755665 349252886 /nfs/dbraw/zinc/25/28/86/349252886.db2.gz ZJNXCLNDXLYULS-UHFFFAOYSA-N 0 0 217.356 4.199 10 0 BIAERN Cc1ccc(OCc2cc(C)cc(C)c2)cc1 ZINC000059812266 385055994 /nfs/dbraw/zinc/05/59/94/385055994.db2.gz NGSAXWDHDJVJAB-UHFFFAOYSA-N 0 0 226.319 4.191 10 0 BIAERN Cc1cccc(C)c1-c1ccc2c(c1)CCC2=O ZINC000059860591 368335037 /nfs/dbraw/zinc/33/50/37/368335037.db2.gz HXMUBKQVVIRKGD-UHFFFAOYSA-N 0 0 236.314 4.099 10 0 BIAERN Cc1cccc(C)c1-c1cccc2c1CCC2=O ZINC000059861012 368335553 /nfs/dbraw/zinc/33/55/53/368335553.db2.gz RZDALYRWHLEJRP-UHFFFAOYSA-N 0 0 236.314 4.099 10 0 BIAERN Cc1sc(C)c(-c2cccc(C=O)c2)c1C ZINC000059871274 368335564 /nfs/dbraw/zinc/33/55/64/368335564.db2.gz ABTNNJXLKQKHLD-UHFFFAOYSA-N 0 0 230.332 4.153 10 0 BIAERN OCc1ccccc1-c1csc2ccccc12 ZINC000059871944 385057961 /nfs/dbraw/zinc/05/79/61/385057961.db2.gz VGKNZCZKAOSLNX-UHFFFAOYSA-N 0 0 240.327 4.061 10 0 BIAERN CN(c1ccccc1)c1ccccc1Cl ZINC000059904160 385058880 /nfs/dbraw/zinc/05/88/80/385058880.db2.gz JAGXSCWORMMGIU-UHFFFAOYSA-N 0 0 217.699 4.108 10 0 BIAERN Fc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000059975223 385060797 /nfs/dbraw/zinc/06/07/97/385060797.db2.gz GWGSGYOPKPVAPW-UHFFFAOYSA-N 0 0 206.647 4.146 10 0 BIAERN Fc1ccc2c(c1)Oc1ccccc1S2 ZINC000060116266 487577566 /nfs/dbraw/zinc/57/75/66/487577566.db2.gz CUKQYCCSGWUSNV-UHFFFAOYSA-N 0 0 218.252 4.083 10 0 BIAERN FC(F)c1ccc(Cl)cc1C(F)(F)F ZINC000060163496 342916487 /nfs/dbraw/zinc/91/64/87/342916487.db2.gz XLXLBBMFLQFESK-UHFFFAOYSA-N 0 0 230.563 4.296 10 0 BIAERN Clc1ccc2c(Cl)cnc(Cl)c2c1 ZINC000060175245 180585593 /nfs/dbraw/zinc/58/55/93/180585593.db2.gz ZKOCWDCPANZRPS-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN Clc1ccc2nc(-c3ccccc3)oc2c1 ZINC000060202032 349273904 /nfs/dbraw/zinc/27/39/04/349273904.db2.gz KAOOHHSDVVRTDG-UHFFFAOYSA-N 0 0 229.666 4.148 10 0 BIAERN CC[C@@H](C)CSc1nc2ccccc2s1 ZINC000060248379 343297623 /nfs/dbraw/zinc/29/76/23/343297623.db2.gz HFCLWLRPTNSSDN-SECBINFHSA-N 0 0 237.393 4.435 10 0 BIAERN CC[C@H](C)CSc1nc2ccccc2s1 ZINC000060248383 350497824 /nfs/dbraw/zinc/49/78/24/350497824.db2.gz HFCLWLRPTNSSDN-VIFPVBQESA-N 0 0 237.393 4.435 10 0 BIAERN Cc1ccc2[nH]c3c(c2c1)CCc1ccccc1-3 ZINC000060253921 349282317 /nfs/dbraw/zinc/28/23/17/349282317.db2.gz BBLUIJGITXYTSD-UHFFFAOYSA-N 0 0 233.314 4.242 10 0 BIAERN Cc1ccc2[nH]c3c(c2c1)-c1ccccc1CC3 ZINC000060253925 368335245 /nfs/dbraw/zinc/33/52/45/368335245.db2.gz 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BIAERN Cc1cc(NC/C=C/c2ccccc2)ccc1F ZINC000061097543 178153067 /nfs/dbraw/zinc/15/30/67/178153067.db2.gz HQWXFNVHGBIXMZ-VMPITWQZSA-N 0 0 241.309 4.259 10 0 BIAERN CC1CCC(Nc2cc(F)cc(F)c2F)CC1 ZINC000061098881 168165787 /nfs/dbraw/zinc/16/57/87/168165787.db2.gz ZVVRXXCEOKRILZ-UHFFFAOYSA-N 0 0 243.272 4.095 10 0 BIAERN CC1CCC(Nc2cc(F)c(F)c(F)c2)CC1 ZINC000061115924 168165167 /nfs/dbraw/zinc/16/51/67/168165167.db2.gz WGDSQRIRAFDEIM-UHFFFAOYSA-N 0 0 243.272 4.095 10 0 BIAERN Cc1cccc(CNc2ccc(F)c(C)c2)c1C ZINC000061116633 178173708 /nfs/dbraw/zinc/17/37/08/178173708.db2.gz ZOVAVHTTXYPBTC-UHFFFAOYSA-N 0 0 243.325 4.363 10 0 BIAERN Cc1cc(NCc2ccc(F)cc2C)ccc1F ZINC000061116764 178171413 /nfs/dbraw/zinc/17/14/13/178171413.db2.gz RWFOAECPBJCNDB-UHFFFAOYSA-N 0 0 247.288 4.194 10 0 BIAERN CC(=O)c1ccc(-c2cccc3cnccc32)cc1 ZINC000061123295 411151514 /nfs/dbraw/zinc/15/15/14/411151514.db2.gz FRSKPBVETKPMLB-UHFFFAOYSA-N 0 0 247.297 4.104 10 0 BIAERN CC(=O)c1cccc(-c2cccc3cnccc32)c1 ZINC000061123301 411152105 /nfs/dbraw/zinc/15/21/05/411152105.db2.gz GFGGGSPJTAMMFF-UHFFFAOYSA-N 0 0 247.297 4.104 10 0 BIAERN Fc1ccccc1N[C@@H]1CCCc2sccc21 ZINC000061324678 181014344 /nfs/dbraw/zinc/01/43/44/181014344.db2.gz KXYCHFGKVNICOX-GFCCVEGCSA-N 0 0 247.338 4.377 10 0 BIAERN Fc1ccccc1N[C@H]1CCCc2sccc21 ZINC000061324681 181014025 /nfs/dbraw/zinc/01/40/25/181014025.db2.gz KXYCHFGKVNICOX-LBPRGKRZSA-N 0 0 247.338 4.377 10 0 BIAERN CC(C)(C)c1ccc(N[C@@H]2CCCSC2)cc1 ZINC000061570846 188302592 /nfs/dbraw/zinc/30/25/92/188302592.db2.gz CXTMVCDUXPPFOH-CQSZACIVSA-N 0 0 249.423 4.292 10 0 BIAERN CC(C)c1ccccc1N[C@@H]1CCCSC1 ZINC000061570944 322858881 /nfs/dbraw/zinc/85/88/81/322858881.db2.gz IPCFJKDGKVCIOG-GFCCVEGCSA-N 0 0 235.396 4.118 10 0 BIAERN CC(C)c1ccccc1N[C@H]1CCCSC1 ZINC000061570947 384753998 /nfs/dbraw/zinc/75/39/98/384753998.db2.gz IPCFJKDGKVCIOG-LBPRGKRZSA-N 0 0 235.396 4.118 10 0 BIAERN Cc1ccc2nc(C(F)F)cc(Cl)c2c1 ZINC000061629947 345761598 /nfs/dbraw/zinc/76/15/98/345761598.db2.gz KFKKSYIRAQINNE-UHFFFAOYSA-N 0 0 227.641 4.134 10 0 BIAERN FC(F)c1cc(Cl)c2cc(Cl)ccc2n1 ZINC000061629962 385128636 /nfs/dbraw/zinc/12/86/36/385128636.db2.gz QVKHMPBUGHNCTD-UHFFFAOYSA-N 0 0 248.059 4.479 10 0 BIAERN FC(F)c1cc(Cl)c2cccc(Cl)c2n1 ZINC000061629985 345761352 /nfs/dbraw/zinc/76/13/52/345761352.db2.gz YWLAFEPCLDABDG-UHFFFAOYSA-N 0 0 248.059 4.479 10 0 BIAERN Cc1cccc2c(Cl)cc(C(F)F)nc12 ZINC000061629999 345761244 /nfs/dbraw/zinc/76/12/44/345761244.db2.gz IRCNOKKYRJXLRV-UHFFFAOYSA-N 0 0 227.641 4.134 10 0 BIAERN Cc1ccc([C@@H](C)Nc2cnn(C(C)C)c2)s1 ZINC000061682365 178851143 /nfs/dbraw/zinc/85/11/43/178851143.db2.gz SQLXOMXVVYWWRO-LLVKDONJSA-N 0 0 249.383 4.007 10 0 BIAERN CC(=O)[C@H](Cc1c(C)cc(C)cc1C)C(C)C ZINC000061687989 187956537 /nfs/dbraw/zinc/95/65/37/187956537.db2.gz YNOROZTYVZMBFY-OAHLLOKOSA-N 0 0 232.367 4.016 10 0 BIAERN COc1ccc2nc(C)c(C(C)C)c(Cl)c2c1 ZINC000061688966 175227744 /nfs/dbraw/zinc/22/77/44/175227744.db2.gz PESHXGGOSAQPMZ-UHFFFAOYSA-N 0 0 249.741 4.329 10 0 BIAERN CC[C@@H](C)c1nc(C)c(C(C)C)c(Cl)n1 ZINC000061689190 345829292 /nfs/dbraw/zinc/82/92/92/345829292.db2.gz SRXKRFWAMRPPIS-MRVPVSSYSA-N 0 0 226.751 4.075 10 0 BIAERN CC[C@H](C)c1nc(C)c(C(C)C)c(Cl)n1 ZINC000061689191 345829415 /nfs/dbraw/zinc/82/94/15/345829415.db2.gz SRXKRFWAMRPPIS-QMMMGPOBSA-N 0 0 226.751 4.075 10 0 BIAERN CC(=O)c1ccc(SC(C)C)c(Cl)c1 ZINC000061696837 345841673 /nfs/dbraw/zinc/84/16/73/345841673.db2.gz WKQNYSLBZAUFKF-UHFFFAOYSA-N 0 0 228.744 4.043 10 0 BIAERN CCc1ccc(-c2csc(Cl)n2)s1 ZINC000061714166 345844388 /nfs/dbraw/zinc/84/43/88/345844388.db2.gz KOBIXSQKAQEJOT-UHFFFAOYSA-N 0 0 229.757 4.087 10 0 BIAERN Clc1nc2c(s1)CSc1ccccc1-2 ZINC000061714210 345844577 /nfs/dbraw/zinc/84/45/77/345844577.db2.gz XDFPCDPZELHKRJ-UHFFFAOYSA-N 0 0 239.752 4.069 10 0 BIAERN Clc1nc(-c2ccccc2Cl)cs1 ZINC000061714222 385135999 /nfs/dbraw/zinc/13/59/99/385135999.db2.gz HYDQSALAQIARMT-UHFFFAOYSA-N 0 0 230.119 4.117 10 0 BIAERN Cc1ccccc1-c1csc(NC(C)(C)C)n1 ZINC000061714603 179237203 /nfs/dbraw/zinc/23/72/03/179237203.db2.gz GDXFPDHETQCARF-UHFFFAOYSA-N 0 0 246.379 4.329 10 0 BIAERN CC(C)Oc1ccc2c(c1)C(=O)CC(C)(C)CC2 ZINC000061825835 167303162 /nfs/dbraw/zinc/30/31/62/167303162.db2.gz SMIYLYBCAHAVIQ-UHFFFAOYSA-N 0 0 246.350 4.019 10 0 BIAERN CC(C)(C)CCNc1cccc2cnccc21 ZINC000061839209 166572409 /nfs/dbraw/zinc/57/24/09/166572409.db2.gz LNLGHXDIFRUDSX-UHFFFAOYSA-N 0 0 228.339 4.083 10 0 BIAERN CC(C)(C)CCNc1ccc2ncccc2c1 ZINC000061839609 166573209 /nfs/dbraw/zinc/57/32/09/166573209.db2.gz RQEDFGODAKAFMB-UHFFFAOYSA-N 0 0 228.339 4.083 10 0 BIAERN Cc1cccc(C(=O)c2ccc(F)cc2Cl)c1 ZINC000061845558 179027577 /nfs/dbraw/zinc/02/75/77/179027577.db2.gz DUULQQATRUWPIW-UHFFFAOYSA-N 0 0 248.684 4.019 10 0 BIAERN Cc1ccccc1C(=O)c1ccc(F)cc1Cl ZINC000061845566 179253996 /nfs/dbraw/zinc/25/39/96/179253996.db2.gz UQARJEVRYMBTFY-UHFFFAOYSA-N 0 0 248.684 4.019 10 0 BIAERN CCCCCC[C@@H](O)c1ccc(F)cc1Cl ZINC000061845836 168676493 /nfs/dbraw/zinc/67/64/93/168676493.db2.gz CGYOQDFSKXSVHK-CYBMUJFWSA-N 0 0 244.737 4.483 10 0 BIAERN CCc1oc2ccccc2c1C(=O)C1CCCC1 ZINC000061876742 172112788 /nfs/dbraw/zinc/11/27/88/172112788.db2.gz NKXSYLYUPAFJAN-UHFFFAOYSA-N 0 0 242.318 4.368 10 0 BIAERN CCc1oc2ccccc2c1C(=O)[C@@H](C)CC ZINC000061876752 172112932 /nfs/dbraw/zinc/11/29/32/172112932.db2.gz BCJRJTRCRAGUJZ-JTQLQIEISA-N 0 0 230.307 4.224 10 0 BIAERN CCc1oc2ccccc2c1C(=O)[C@H](C)CC ZINC000061876753 172112327 /nfs/dbraw/zinc/11/23/27/172112327.db2.gz BCJRJTRCRAGUJZ-SNVBAGLBSA-N 0 0 230.307 4.224 10 0 BIAERN CCc1oc2ccccc2c1-c1cccc(N)c1 ZINC000061876786 172112480 /nfs/dbraw/zinc/11/24/80/172112480.db2.gz HHOYQOBHIBYTCZ-UHFFFAOYSA-N 0 0 237.302 4.244 10 0 BIAERN CCc1csc(N[C@@H](C)c2ccccc2C)n1 ZINC000061894619 343046111 /nfs/dbraw/zinc/04/61/11/343046111.db2.gz WSMDBQWWQSSKQU-NSHDSACASA-N 0 0 246.379 4.187 10 0 BIAERN CCc1csc(N[C@H](C)c2ccccc2C)n1 ZINC000061894620 171934244 /nfs/dbraw/zinc/93/42/44/171934244.db2.gz WSMDBQWWQSSKQU-LLVKDONJSA-N 0 0 246.379 4.187 10 0 BIAERN CCc1csc(N[C@@H](CC)c2ccccc2)n1 ZINC000061894724 384760877 /nfs/dbraw/zinc/76/08/77/384760877.db2.gz DDNATAKWXFJFLG-ZDUSSCGKSA-N 0 0 246.379 4.269 10 0 BIAERN CCc1csc(N[C@H](CC)c2ccccc2)n1 ZINC000061894725 384758128 /nfs/dbraw/zinc/75/81/28/384758128.db2.gz DDNATAKWXFJFLG-CYBMUJFWSA-N 0 0 246.379 4.269 10 0 BIAERN CCC(C)(C)[C@H](O)Cc1ccc2ccccc2c1 ZINC000062137093 168303673 /nfs/dbraw/zinc/30/36/73/168303673.db2.gz DOMXMKQSWSBMCT-MRXNPFEDSA-N 0 0 242.362 4.179 10 0 BIAERN CCC(C)(C)[C@@H](O)Cc1ccc2ccccc2c1 ZINC000062137094 168303979 /nfs/dbraw/zinc/30/39/79/168303979.db2.gz DOMXMKQSWSBMCT-INIZCTEOSA-N 0 0 242.362 4.179 10 0 BIAERN CCC(C)(C)[C@H](O)Cc1cccc2ccccc21 ZINC000062138175 168304775 /nfs/dbraw/zinc/30/47/75/168304775.db2.gz YMKIOTFQENZRIW-MRXNPFEDSA-N 0 0 242.362 4.179 10 0 BIAERN CCC(C)(C)[C@@H](O)Cc1cccc2ccccc21 ZINC000062138176 168303912 /nfs/dbraw/zinc/30/39/12/168303912.db2.gz YMKIOTFQENZRIW-INIZCTEOSA-N 0 0 242.362 4.179 10 0 BIAERN CC(C)Oc1ccccc1CCC(=O)C(C)(C)C ZINC000062164657 167309879 /nfs/dbraw/zinc/30/98/79/167309879.db2.gz ARHHNDFXPVLFQL-UHFFFAOYSA-N 0 0 248.366 4.022 10 0 BIAERN CC(C)Oc1ccc(CCC(=O)C(C)(C)C)cc1 ZINC000062164661 167291501 /nfs/dbraw/zinc/29/15/01/167291501.db2.gz SVVKEBNSXVTYCH-UHFFFAOYSA-N 0 0 248.366 4.022 10 0 BIAERN CC(C)Oc1cccc(CCC(=O)C(C)(C)C)c1 ZINC000062164663 167303868 /nfs/dbraw/zinc/30/38/68/167303868.db2.gz ZIYFKLJRDPRPKR-UHFFFAOYSA-N 0 0 248.366 4.022 10 0 BIAERN CCCOc1ccc(CCC(=O)C(C)(C)C)cc1 ZINC000062164685 169317551 /nfs/dbraw/zinc/31/75/51/169317551.db2.gz HGHOQKLWTXEZQR-UHFFFAOYSA-N 0 0 248.366 4.023 10 0 BIAERN CC(C)(C)c1ccc(C[C@@H]2CCCC[C@H]2O)cc1 ZINC000062169014 187273405 /nfs/dbraw/zinc/27/34/05/187273405.db2.gz UITVSGHMKPSZMZ-GOEBONIOSA-N 0 0 246.394 4.078 10 0 BIAERN CC(C)(C)c1ccc(C[C@H]2CCCC[C@H]2O)cc1 ZINC000062169017 188303736 /nfs/dbraw/zinc/30/37/36/188303736.db2.gz UITVSGHMKPSZMZ-GDBMZVCRSA-N 0 0 246.394 4.078 10 0 BIAERN Cc1cc(-c2ccc(C(C)C)cc2)nc(Cl)n1 ZINC000062202880 518186246 /nfs/dbraw/zinc/18/62/46/518186246.db2.gz IRKCJSAIAPTZDO-UHFFFAOYSA-N 0 0 246.741 4.229 10 0 BIAERN CCc1ccc2oc(-c3ccccc3)nc2c1 ZINC000062528638 171851967 /nfs/dbraw/zinc/85/19/67/171851967.db2.gz VREZZWABVBIHEA-UHFFFAOYSA-N 0 0 223.275 4.057 10 0 BIAERN Cc1ccc2nc(-c3ccccc3)oc2c1C ZINC000062528641 386579809 /nfs/dbraw/zinc/57/98/09/386579809.db2.gz MSISBIOTGNZQNK-UHFFFAOYSA-N 0 0 223.275 4.112 10 0 BIAERN Cc1cccc(-c2nc3cccc(C)c3o2)c1 ZINC000062528644 386579291 /nfs/dbraw/zinc/57/92/91/386579291.db2.gz GRPQVQKMBCNNCL-UHFFFAOYSA-N 0 0 223.275 4.112 10 0 BIAERN Clc1cc2nc(C3CC3)oc2cc1Cl ZINC000062529517 180576369 /nfs/dbraw/zinc/57/63/69/180576369.db2.gz HKKQJTIPARHFCF-UHFFFAOYSA-N 0 0 228.078 4.012 10 0 BIAERN Clc1cc2nc(C3CC3)oc2c(Cl)c1 ZINC000062529521 180574976 /nfs/dbraw/zinc/57/49/76/180574976.db2.gz DDSAMKUCIARJIS-UHFFFAOYSA-N 0 0 228.078 4.012 10 0 BIAERN Clc1ccc(Cl)c2oc(C3CC3)nc21 ZINC000062529526 180582169 /nfs/dbraw/zinc/58/21/69/180582169.db2.gz LFTGANYIXLEQCY-UHFFFAOYSA-N 0 0 228.078 4.012 10 0 BIAERN CC(C)c1nc2c(cc(Cl)cc2Cl)o1 ZINC000062529826 167675655 /nfs/dbraw/zinc/67/56/55/167675655.db2.gz NMYPOCZPOZYRRX-UHFFFAOYSA-N 0 0 230.094 4.258 10 0 BIAERN CCc1ccc2oc(-c3cccc(C)c3)nc2c1 ZINC000062532458 386579856 /nfs/dbraw/zinc/57/98/56/386579856.db2.gz UIJPMVAYPRJVNB-UHFFFAOYSA-N 0 0 237.302 4.366 10 0 BIAERN CCc1ccc2oc(-c3ccc(C)cc3)nc2c1 ZINC000062532461 386579062 /nfs/dbraw/zinc/57/90/62/386579062.db2.gz NGIFCBXWEVUZEK-UHFFFAOYSA-N 0 0 237.302 4.366 10 0 BIAERN Cc1cccc(-c2nc3cc(C)c(C)cc3o2)c1 ZINC000062532465 386579766 /nfs/dbraw/zinc/57/97/66/386579766.db2.gz BBZSAKLNSYRINY-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN Cc1cccc(-c2nc3ccc(C)c(C)c3o2)c1 ZINC000062532485 386580201 /nfs/dbraw/zinc/58/02/01/386580201.db2.gz XQPUCFUQCFEWDF-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN Cc1ccc(-c2nc3ccc(C)c(C)c3o2)cc1 ZINC000062532488 178337370 /nfs/dbraw/zinc/33/73/70/178337370.db2.gz KSKCOVQBVBHVGC-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN CC(C)c1cc2cc(Br)ccc2[nH]1 ZINC000062532576 167578933 /nfs/dbraw/zinc/57/89/33/167578933.db2.gz USRMNZAFTJIPDU-UHFFFAOYSA-N 0 0 238.128 4.054 10 0 BIAERN CCc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000062533382 386578275 /nfs/dbraw/zinc/57/82/75/386578275.db2.gz HEXXGFVGZJXITE-UHFFFAOYSA-N 0 0 241.265 4.196 10 0 BIAERN CCc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000062533386 171851667 /nfs/dbraw/zinc/85/16/67/171851667.db2.gz RMEGTFDRGDPFIM-UHFFFAOYSA-N 0 0 241.265 4.196 10 0 BIAERN CCc1ccc2oc(-c3ccc(F)cc3)nc2c1 ZINC000062533388 386580019 /nfs/dbraw/zinc/58/00/19/386580019.db2.gz PAMYTSYTLCLVQO-UHFFFAOYSA-N 0 0 241.265 4.196 10 0 BIAERN Cc1cc2nc(-c3cccc(F)c3)oc2cc1C ZINC000062533394 178300248 /nfs/dbraw/zinc/30/02/48/178300248.db2.gz OJFHVXFOWAVHGY-UHFFFAOYSA-N 0 0 241.265 4.251 10 0 BIAERN Cc1cc2nc(-c3ccccc3F)oc2cc1C ZINC000062533397 178300087 /nfs/dbraw/zinc/30/00/87/178300087.db2.gz SWQMQPNHJATQIQ-UHFFFAOYSA-N 0 0 241.265 4.251 10 0 BIAERN Cc1cc2nc(-c3ccc(F)cc3)oc2cc1C ZINC000062533401 178300356 /nfs/dbraw/zinc/30/03/56/178300356.db2.gz RPAFPSPCOAUSMZ-UHFFFAOYSA-N 0 0 241.265 4.251 10 0 BIAERN Cc1ccc2nc(-c3cccc(F)c3)oc2c1C ZINC000062533424 386582395 /nfs/dbraw/zinc/58/23/95/386582395.db2.gz PKWPLYCUQNPRRF-UHFFFAOYSA-N 0 0 241.265 4.251 10 0 BIAERN Cc1ccc2nc(-c3ccccc3F)oc2c1C ZINC000062533428 386582431 /nfs/dbraw/zinc/58/24/31/386582431.db2.gz UYAJTVOCQKDWNX-UHFFFAOYSA-N 0 0 241.265 4.251 10 0 BIAERN Cc1ccc2nc(-c3ccc(F)cc3)oc2c1C ZINC000062533432 386581724 /nfs/dbraw/zinc/58/17/24/386581724.db2.gz MSGMBEMTCVRYGW-UHFFFAOYSA-N 0 0 241.265 4.251 10 0 BIAERN Cc1cccc2nc(-c3cccc(Cl)c3)oc21 ZINC000062533964 179228247 /nfs/dbraw/zinc/22/82/47/179228247.db2.gz YVTNIPBYVJGYIX-UHFFFAOYSA-N 0 0 243.693 4.457 10 0 BIAERN Cc1cccc2nc(-c3ccc(Cl)cc3)oc21 ZINC000062533967 179228586 /nfs/dbraw/zinc/22/85/86/179228586.db2.gz SRLWOXAUFCOWOZ-UHFFFAOYSA-N 0 0 243.693 4.457 10 0 BIAERN O=C1CCCC[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000062620989 641065005 /nfs/dbraw/zinc/06/50/05/641065005.db2.gz WHLKZNHIFGIMLU-NSHDSACASA-N 0 0 243.133 4.220 10 0 BIAERN O=C1CCCC[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000062620990 641065072 /nfs/dbraw/zinc/06/50/72/641065072.db2.gz WHLKZNHIFGIMLU-LLVKDONJSA-N 0 0 243.133 4.220 10 0 BIAERN CC(C)(C)c1ccc([C@H]2CCCCC[C@@H]2O)cc1 ZINC000062622226 188302855 /nfs/dbraw/zinc/30/28/55/188302855.db2.gz GIHKFARNVLMVCK-CVEARBPZSA-N 0 0 246.394 4.393 10 0 BIAERN CC(C)(C)c1ccc([C@@H]2CCCCC[C@H]2O)cc1 ZINC000062622228 187784755 /nfs/dbraw/zinc/78/47/55/187784755.db2.gz GIHKFARNVLMVCK-JKSUJKDBSA-N 0 0 246.394 4.393 10 0 BIAERN CCC(=O)CC/C=C(\C)CCC=C(C)C ZINC000062721145 349491413 /nfs/dbraw/zinc/49/14/13/349491413.db2.gz UQTSSEGRUWAYCR-JLHYYAGUSA-N 0 0 208.345 4.438 10 0 BIAERN CSc1ccc(Nc2cccc(N)c2C)cc1 ZINC000062724374 187613946 /nfs/dbraw/zinc/61/39/46/187613946.db2.gz QSELTYJOUCDKDA-UHFFFAOYSA-N 0 0 244.363 4.043 10 0 BIAERN CSc1cccc(N[C@H](C)Cc2ccco2)c1 ZINC000062769440 175581223 /nfs/dbraw/zinc/58/12/23/175581223.db2.gz BBTKICUTVZKONT-LLVKDONJSA-N 0 0 247.363 4.045 10 0 BIAERN CC(=O)Cc1ccc(-c2ccc(Cl)cc2C)o1 ZINC000062770059 188303306 /nfs/dbraw/zinc/30/33/06/188303306.db2.gz RWNUSGKEYAAXJY-UHFFFAOYSA-N 0 0 248.709 4.040 10 0 BIAERN Cc1cccc([C@H](O)C(C)(C)c2ccccc2)c1 ZINC000062772982 179201818 /nfs/dbraw/zinc/20/18/18/179201818.db2.gz OOGKQKHXEVFOKU-INIZCTEOSA-N 0 0 240.346 4.006 10 0 BIAERN Cc1cccc([C@@H](O)C(C)(C)c2ccccc2)c1 ZINC000062772983 179187161 /nfs/dbraw/zinc/18/71/61/179187161.db2.gz OOGKQKHXEVFOKU-MRXNPFEDSA-N 0 0 240.346 4.006 10 0 BIAERN O=C(CC1CCCCC1)C1(c2ccccc2)CC1 ZINC000062780431 181894561 /nfs/dbraw/zinc/89/45/61/181894561.db2.gz HGTYFKXKNGHQDV-UHFFFAOYSA-N 0 0 242.362 4.258 10 0 BIAERN O=C(CC1CCCC1)C1(c2ccccc2)CCC1 ZINC000062780546 188303680 /nfs/dbraw/zinc/30/36/80/188303680.db2.gz CUMSOYDYQDKBQG-UHFFFAOYSA-N 0 0 242.362 4.258 10 0 BIAERN O[C@H](CC1CCCC1)C1(c2ccccc2)CCC1 ZINC000062780985 183217543 /nfs/dbraw/zinc/21/75/43/183217543.db2.gz BBLFVNTVKQLQAF-MRXNPFEDSA-N 0 0 244.378 4.050 10 0 BIAERN O[C@@H](CC1CCCC1)C1(c2ccccc2)CCC1 ZINC000062780986 183172779 /nfs/dbraw/zinc/17/27/79/183172779.db2.gz BBLFVNTVKQLQAF-INIZCTEOSA-N 0 0 244.378 4.050 10 0 BIAERN O[C@H](C1CCCC1)C1(c2ccccc2)CCCC1 ZINC000062782618 183217873 /nfs/dbraw/zinc/21/78/73/183217873.db2.gz CZPRTQWOWQROJR-MRXNPFEDSA-N 0 0 244.378 4.050 10 0 BIAERN O[C@@H](C1CCCC1)C1(c2ccccc2)CCCC1 ZINC000062782619 183172561 /nfs/dbraw/zinc/17/25/61/183172561.db2.gz CZPRTQWOWQROJR-INIZCTEOSA-N 0 0 244.378 4.050 10 0 BIAERN Cc1cccc(C(=O)c2ccc(F)c(Cl)c2)c1 ZINC000062791762 347047820 /nfs/dbraw/zinc/04/78/20/347047820.db2.gz JWZIHGXXNDKQDX-UHFFFAOYSA-N 0 0 248.684 4.019 10 0 BIAERN Cc1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000062791765 347047892 /nfs/dbraw/zinc/04/78/92/347047892.db2.gz WSFQKDMPXCXUQB-UHFFFAOYSA-N 0 0 248.684 4.019 10 0 BIAERN Cc1ccccc1C(=O)c1ccc(F)c(Cl)c1 ZINC000062791767 347047950 /nfs/dbraw/zinc/04/79/50/347047950.db2.gz IJUFJZHPCITMLE-UHFFFAOYSA-N 0 0 248.684 4.019 10 0 BIAERN CCC[C@@H](C)C[C@H](O)c1cc2ccccc2o1 ZINC000062797413 169362099 /nfs/dbraw/zinc/36/20/99/169362099.db2.gz VSBSKLPNWUADHT-YPMHNXCESA-N 0 0 232.323 4.293 10 0 BIAERN CCC[C@@H](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000062797415 169361460 /nfs/dbraw/zinc/36/14/60/169361460.db2.gz VSBSKLPNWUADHT-DGCLKSJQSA-N 0 0 232.323 4.293 10 0 BIAERN CCC[C@H](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000062797416 169485107 /nfs/dbraw/zinc/48/51/07/169485107.db2.gz VSBSKLPNWUADHT-WCQYABFASA-N 0 0 232.323 4.293 10 0 BIAERN CCC[C@@H](C)CC(=O)c1ccc2ncccc2c1 ZINC000062801695 169357491 /nfs/dbraw/zinc/35/74/91/169357491.db2.gz NVDDFOXIVZCCLG-GFCCVEGCSA-N 0 0 241.334 4.244 10 0 BIAERN CCC[C@H](C)CC(=O)c1ccc2ncccc2c1 ZINC000062801696 169479532 /nfs/dbraw/zinc/47/95/32/169479532.db2.gz NVDDFOXIVZCCLG-LBPRGKRZSA-N 0 0 241.334 4.244 10 0 BIAERN CCC[C@@H](C)C[C@H](O)c1ccc2ncccc2c1 ZINC000062801940 169362403 /nfs/dbraw/zinc/36/24/03/169362403.db2.gz YGCHRQYEMFDBAH-WBMJQRKESA-N 0 0 243.350 4.095 10 0 BIAERN CCC[C@H](C)C[C@H](O)c1ccc2ncccc2c1 ZINC000062801941 169485045 /nfs/dbraw/zinc/48/50/45/169485045.db2.gz YGCHRQYEMFDBAH-LRDDRELGSA-N 0 0 243.350 4.095 10 0 BIAERN CCC[C@@H](C)C[C@@H](O)c1ccc2ncccc2c1 ZINC000062801942 169361599 /nfs/dbraw/zinc/36/15/99/169361599.db2.gz YGCHRQYEMFDBAH-MLGOLLRUSA-N 0 0 243.350 4.095 10 0 BIAERN CC[C@H](SC1CCCC1)C(=O)c1ccccc1 ZINC000062830083 171595039 /nfs/dbraw/zinc/59/50/39/171595039.db2.gz TUIMYGHJDVOSGW-AWEZNQCLSA-N 0 0 248.391 4.324 10 0 BIAERN Cc1ccc(C(=O)c2ccc(F)cc2)cc1Cl ZINC000063021118 350596197 /nfs/dbraw/zinc/59/61/97/350596197.db2.gz XXJVLQUHHOOGFI-UHFFFAOYSA-N 0 0 248.684 4.019 10 0 BIAERN Cc1ccc(C(=O)c2ccc(C)c(Cl)c2)cc1 ZINC000063021138 350596198 /nfs/dbraw/zinc/59/61/98/350596198.db2.gz ZIZXZVPHQDNPSE-UHFFFAOYSA-N 0 0 244.721 4.188 10 0 BIAERN Cc1ccc([C@@H](O)c2ccc(C)c(Cl)c2)cc1 ZINC000063021816 178868801 /nfs/dbraw/zinc/86/88/01/178868801.db2.gz PHNYOXXHMOBNMF-OAHLLOKOSA-N 0 0 246.737 4.039 10 0 BIAERN Cc1cc2ccccc2nc1NCCC(C)C ZINC000063105622 178298680 /nfs/dbraw/zinc/29/86/80/178298680.db2.gz QVGGKJXNDXETBG-UHFFFAOYSA-N 0 0 228.339 4.001 10 0 BIAERN Cc1cc2ccccc2nc1NCC(C)(C)C ZINC000063105888 178298663 /nfs/dbraw/zinc/29/86/63/178298663.db2.gz FDSLVIWHBCTLIX-UHFFFAOYSA-N 0 0 228.339 4.001 10 0 BIAERN CCc1cc2c(Cl)ccc(F)c2nc1Cl ZINC000063116230 351211528 /nfs/dbraw/zinc/21/15/28/351211528.db2.gz MVJKFGYVTFFFMU-UHFFFAOYSA-N 0 0 244.096 4.243 10 0 BIAERN CCCc1cccc2cc(C)c(Cl)nc21 ZINC000063116384 351211436 /nfs/dbraw/zinc/21/14/36/351211436.db2.gz UBXLJQUXIAQHRM-UHFFFAOYSA-N 0 0 219.715 4.149 10 0 BIAERN CCCc1cc2cc(C)ccc2nc1Cl ZINC000063116477 351211623 /nfs/dbraw/zinc/21/16/23/351211623.db2.gz UXUNJVYCNDYYMA-UHFFFAOYSA-N 0 0 219.715 4.149 10 0 BIAERN COc1ccc(C)c2cc(C(C)C)c(Cl)nc12 ZINC000063116670 175071369 /nfs/dbraw/zinc/07/13/69/175071369.db2.gz WRYLNVZXXYLWAU-UHFFFAOYSA-N 0 0 249.741 4.329 10 0 BIAERN CCc1cc2cccc(-c3ccccc3)c2nc1N ZINC000063117156 171776784 /nfs/dbraw/zinc/77/67/84/171776784.db2.gz UOVDPESVHHJQBG-UHFFFAOYSA-N 0 0 248.329 4.046 10 0 BIAERN CCCCc1ccc2nc(N)c(C(C)C)cc2c1 ZINC000063118050 169024135 /nfs/dbraw/zinc/02/41/35/169024135.db2.gz JMKFWOSZGPVHTR-UHFFFAOYSA-N 0 0 242.366 4.283 10 0 BIAERN CCNc1nc2ccc(C(C)C)cc2cc1C ZINC000063118067 170177695 /nfs/dbraw/zinc/17/76/95/170177695.db2.gz LGELEDUXELFEGU-UHFFFAOYSA-N 0 0 228.339 4.098 10 0 BIAERN Cc1cc(Cl)ccc1C(Cl)(Cl)Cl ZINC000064370202 178066522 /nfs/dbraw/zinc/06/65/22/178066522.db2.gz DSAHJVCZRSZMLG-UHFFFAOYSA-N 0 0 243.948 4.475 10 0 BIAERN Cc1ccc(-c2ccccc2O)c(Cl)c1 ZINC000065340011 178327533 /nfs/dbraw/zinc/32/75/33/178327533.db2.gz RLGDFXKKCFTVJU-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccc(-c2cccc(O)c2)c(Cl)c1 ZINC000065340012 178326843 /nfs/dbraw/zinc/32/68/43/178326843.db2.gz KIHNPVRZWCLNKC-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccc(-c2ccc(O)cc2)c(Cl)c1 ZINC000065340013 178325174 /nfs/dbraw/zinc/32/51/74/178325174.db2.gz DOJZUDWHWAQMNR-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccc(-c2ccccc2O)cc1Cl ZINC000065340016 178328418 /nfs/dbraw/zinc/32/84/18/178328418.db2.gz FYYCNCAFFKMBMG-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccc(-c2cccc(O)c2)cc1Cl ZINC000065340017 178326941 /nfs/dbraw/zinc/32/69/41/178326941.db2.gz MITLYHQOTSMUBO-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1cc(Cl)cc(-c2ccccc2O)c1 ZINC000065340018 178063643 /nfs/dbraw/zinc/06/36/43/178063643.db2.gz HOUOQTBREUHNPE-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1cc(Cl)cc(-c2cccc(O)c2)c1 ZINC000065340019 178063638 /nfs/dbraw/zinc/06/36/38/178063638.db2.gz HSPGUWDQOBWXAP-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1cc(Cl)cc(-c2ccc(O)cc2)c1 ZINC000065340020 178063753 /nfs/dbraw/zinc/06/37/53/178063753.db2.gz WOQJPMKWGBBRHY-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1cc(Cl)ccc1-c1ccccc1O ZINC000065340021 322945903 /nfs/dbraw/zinc/94/59/03/322945903.db2.gz XXPCVAHTWXAKGM-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1cc(Cl)ccc1-c1cccc(O)c1 ZINC000065340022 178065311 /nfs/dbraw/zinc/06/53/11/178065311.db2.gz MCFVKHMJSKJYLT-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1cc(Cl)ccc1-c1ccc(O)cc1 ZINC000065340023 187274104 /nfs/dbraw/zinc/27/41/04/187274104.db2.gz SMJNRBIAMRFTAO-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Oc1cccc(-c2cccc3ccccc32)c1 ZINC000065340070 183285747 /nfs/dbraw/zinc/28/57/47/183285747.db2.gz MFZDWVIWDAFDRL-UHFFFAOYSA-N 0 0 220.271 4.212 10 0 BIAERN Oc1ccc(-c2cccc3ccccc32)cc1 ZINC000065340071 183264004 /nfs/dbraw/zinc/26/40/04/183264004.db2.gz UEULEVKFYSYUCZ-UHFFFAOYSA-N 0 0 220.271 4.212 10 0 BIAERN Oc1ccccc1-c1cccc(Cl)c1Cl ZINC000065340085 183298365 /nfs/dbraw/zinc/29/83/65/183298365.db2.gz UNXWJFQTZXYSHS-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN Oc1ccccc1-c1cc(Cl)cc(Cl)c1 ZINC000065340086 183298230 /nfs/dbraw/zinc/29/82/30/183298230.db2.gz AGAYNEXNCBMAHR-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN Cc1ccc(-c2ccccc2Cl)cc1O ZINC000065340323 178327028 /nfs/dbraw/zinc/32/70/28/178327028.db2.gz DEMDXHFXZPVIRD-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccc(-c2cccc(Cl)c2)cc1O ZINC000065340325 178326969 /nfs/dbraw/zinc/32/69/69/178326969.db2.gz JXLPFERFPYDQRX-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccc(-c2ccc(Cl)cc2)cc1O ZINC000065340328 178323909 /nfs/dbraw/zinc/32/39/09/178323909.db2.gz LTRBDPDPNBFNJY-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1cc(O)cc(-c2ccc(Cl)cc2)c1 ZINC000065340329 188129757 /nfs/dbraw/zinc/12/97/57/188129757.db2.gz HBXVDZNHAYRUJO-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccc(-c2ccc(O)c(C)c2)c(Cl)c1 ZINC000065340414 178325001 /nfs/dbraw/zinc/32/50/01/178325001.db2.gz BOZXLAMNPPHDBQ-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2ccc(C)c(O)c2)c(Cl)c1 ZINC000065340415 178324176 /nfs/dbraw/zinc/32/41/76/178324176.db2.gz DZFGMUGGUVPFOG-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2cc(C)cc(O)c2)c(Cl)c1 ZINC000065340416 322946013 /nfs/dbraw/zinc/94/60/13/322946013.db2.gz JVEZDYKCBWYHFR-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2cccc(Cl)c2C)cc1O ZINC000065340418 178326394 /nfs/dbraw/zinc/32/63/94/178326394.db2.gz WMHUNLZKWYBIKV-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2ccc(O)c(C)c2)cc1Cl ZINC000065340420 177682515 /nfs/dbraw/zinc/68/25/15/177682515.db2.gz CBWROYBITLHNBK-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2ccc(C)c(Cl)c2)cc1O ZINC000065340421 178324239 /nfs/dbraw/zinc/32/42/39/178324239.db2.gz FKKIIZUALFPMDO-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1cc(Cl)cc(-c2ccc(O)c(C)c2)c1 ZINC000065340423 178063629 /nfs/dbraw/zinc/06/36/29/178063629.db2.gz GNGXRLDIJQMDFA-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1cc(Cl)cc(-c2ccc(C)c(O)c2)c1 ZINC000065340424 178064148 /nfs/dbraw/zinc/06/41/48/178064148.db2.gz PDJQAVGDKGWXNH-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1cc(O)cc(-c2cc(C)cc(Cl)c2)c1 ZINC000065340425 178198398 /nfs/dbraw/zinc/19/83/98/178198398.db2.gz IYLRYFSCAZXDDO-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2ccc(Cl)cc2C)cc1O ZINC000065340427 178324140 /nfs/dbraw/zinc/32/41/40/178324140.db2.gz WMDLPCPCHNIBBK-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2ccc(Cl)c(C)c2)cc1O ZINC000065340430 178323712 /nfs/dbraw/zinc/32/37/12/178323712.db2.gz YPNYMEQTSKBZTL-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2cc(F)cc(Cl)c2)cc1O ZINC000065340442 178322047 /nfs/dbraw/zinc/32/20/47/178322047.db2.gz KYZJQLNWQRERBQ-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2ccc(F)c(Cl)c2)cc1O ZINC000065340445 178324390 /nfs/dbraw/zinc/32/43/90/178324390.db2.gz GIQMJUMXAVXZRC-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN CCOc1ccc(-c2ccc(O)c(C)c2)c(C)c1 ZINC000065340468 170531180 /nfs/dbraw/zinc/53/11/80/170531180.db2.gz RNQJKQAXDDCKSB-UHFFFAOYSA-N 0 0 242.318 4.075 10 0 BIAERN CCSc1ccc(-c2ccc(C)c(O)c2)cc1 ZINC000065340487 170653383 /nfs/dbraw/zinc/65/33/83/170653383.db2.gz PZDYDKPQUSPKFE-UHFFFAOYSA-N 0 0 244.359 4.480 10 0 BIAERN COc1ccc(-c2ccc(O)c(C)c2)cc1Cl ZINC000065340507 175034412 /nfs/dbraw/zinc/03/44/12/175034412.db2.gz YRTMKRPQIIJANH-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2ccc(C)c(O)c2)cc1Cl ZINC000065340508 175033087 /nfs/dbraw/zinc/03/30/87/175033087.db2.gz DRLHZTYZJKPJRD-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2cc(C)cc(O)c2)cc1Cl ZINC000065340509 175031068 /nfs/dbraw/zinc/03/10/68/175031068.db2.gz LMIDJONSCBKHLW-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(Cl)cc1-c1ccc(O)c(C)c1 ZINC000065340513 175119714 /nfs/dbraw/zinc/11/97/14/175119714.db2.gz JKAPPQUAPUZNFI-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(Cl)cc1-c1ccc(C)c(O)c1 ZINC000065340514 175119611 /nfs/dbraw/zinc/11/96/11/175119611.db2.gz YSWNCCREIHKWOW-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(Cl)cc1-c1cc(C)cc(O)c1 ZINC000065340515 175120028 /nfs/dbraw/zinc/12/00/28/175120028.db2.gz ATHGDTZCNJQOOQ-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN Cc1ccc(-c2ccc(O)c(F)c2)c(Cl)c1 ZINC000065340924 178325234 /nfs/dbraw/zinc/32/52/34/178325234.db2.gz HZITULDQGDFVTK-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2ccc(F)c(O)c2)c(Cl)c1 ZINC000065340925 178324721 /nfs/dbraw/zinc/32/47/21/178324721.db2.gz QUIIBLVWASEDNT-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2ccc(O)cc2F)c(Cl)c1 ZINC000065340926 178324971 /nfs/dbraw/zinc/32/49/71/178324971.db2.gz NAOHBSURHNJVIA-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2cc(O)cc(F)c2)c(Cl)c1 ZINC000065340927 178321049 /nfs/dbraw/zinc/32/10/49/178321049.db2.gz SEMOFVYWQVLHKV-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2ccc(O)c(F)c2)cc1Cl ZINC000065340932 178325503 /nfs/dbraw/zinc/32/55/03/178325503.db2.gz FXGJGOTYNMGIJY-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2ccc(F)c(O)c2)cc1Cl ZINC000065340933 178324219 /nfs/dbraw/zinc/32/42/19/178324219.db2.gz CNLURPKCWDQJPY-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2ccc(O)cc2F)cc1Cl ZINC000065340934 178325549 /nfs/dbraw/zinc/32/55/49/178325549.db2.gz LMZMJOVRTMJSTG-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2cc(O)cc(F)c2)cc1Cl ZINC000065340935 178321953 /nfs/dbraw/zinc/32/19/53/178321953.db2.gz YDAXHNQFAAGFNA-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1cc(Cl)cc(-c2ccc(O)c(F)c2)c1 ZINC000065340936 178063027 /nfs/dbraw/zinc/06/30/27/178063027.db2.gz HAKTYMFXTIPPKX-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1cc(Cl)cc(-c2ccc(F)c(O)c2)c1 ZINC000065340937 178063672 /nfs/dbraw/zinc/06/36/72/178063672.db2.gz AQZFCAHWBMKPDC-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1cc(Cl)cc(-c2ccc(O)cc2F)c1 ZINC000065340938 178063021 /nfs/dbraw/zinc/06/30/21/178063021.db2.gz SAUAFVXGOZTMQQ-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1cc(Cl)cc(-c2cc(O)cc(F)c2)c1 ZINC000065340939 178062202 /nfs/dbraw/zinc/06/22/02/178062202.db2.gz UUJINEHMTQHMKW-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1cc(Cl)ccc1-c1ccc(O)cc1F ZINC000065340942 178065271 /nfs/dbraw/zinc/06/52/71/178065271.db2.gz CPAONMNARRSZHT-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1cc(Cl)ccc1-c1cc(O)cc(F)c1 ZINC000065340943 178065585 /nfs/dbraw/zinc/06/55/85/178065585.db2.gz YBWXDNZBETYMRC-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Oc1cc(-c2ccc3ccccc3c2)ccc1F ZINC000065340948 183255110 /nfs/dbraw/zinc/25/51/10/183255110.db2.gz VRXSXZOAKKEVAA-UHFFFAOYSA-N 0 0 238.261 4.352 10 0 BIAERN Oc1ccc(-c2ccc3ccccc3c2)c(F)c1 ZINC000065340949 183264037 /nfs/dbraw/zinc/26/40/37/183264037.db2.gz IWPNBABUVFWNIW-UHFFFAOYSA-N 0 0 238.261 4.352 10 0 BIAERN Oc1cc(F)cc(-c2ccc3ccccc3c2)c1 ZINC000065340950 183258688 /nfs/dbraw/zinc/25/86/88/183258688.db2.gz DWWMLXFQFMFHBJ-UHFFFAOYSA-N 0 0 238.261 4.352 10 0 BIAERN Oc1ccc(-c2cccc3ccccc32)cc1F ZINC000065341034 183264787 /nfs/dbraw/zinc/26/47/87/183264787.db2.gz VYMBYAYYDODYKR-UHFFFAOYSA-N 0 0 238.261 4.352 10 0 BIAERN Oc1cc(-c2cccc3ccccc32)ccc1F ZINC000065341035 183254811 /nfs/dbraw/zinc/25/48/11/183254811.db2.gz JSDMGBVFDWQUPY-UHFFFAOYSA-N 0 0 238.261 4.352 10 0 BIAERN Oc1ccc(-c2cccc3ccccc32)c(F)c1 ZINC000065341036 183263981 /nfs/dbraw/zinc/26/39/81/183263981.db2.gz MBFONVIOAQKLRU-UHFFFAOYSA-N 0 0 238.261 4.352 10 0 BIAERN Oc1cc(F)cc(-c2cccc3ccccc32)c1 ZINC000065341037 183258556 /nfs/dbraw/zinc/25/85/56/183258556.db2.gz SPKPUAUEIZKNCQ-UHFFFAOYSA-N 0 0 238.261 4.352 10 0 BIAERN O=Cc1ccc(-c2cccc3ccccc32)cc1O ZINC000065342010 388676255 /nfs/dbraw/zinc/67/62/55/388676255.db2.gz IKOFDDPIEJVHCK-UHFFFAOYSA-N 0 0 248.281 4.025 10 0 BIAERN O=Cc1cccc(-c2cccc3ccccc32)c1O ZINC000065342011 388676084 /nfs/dbraw/zinc/67/60/84/388676084.db2.gz IYIFOKIWVIENPU-UHFFFAOYSA-N 0 0 248.281 4.025 10 0 BIAERN COc1ccc(-c2ccc(C)cc2Cl)cc1O ZINC000065342591 175033408 /nfs/dbraw/zinc/03/34/08/175033408.db2.gz RAWCGCUOHSJLSG-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2cccc(Cl)c2C)cc1O ZINC000065342596 175034059 /nfs/dbraw/zinc/03/40/59/175034059.db2.gz MGFVZAJRGKGHLF-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2ccc(C)c(Cl)c2)cc1O ZINC000065342600 175032807 /nfs/dbraw/zinc/03/28/07/175032807.db2.gz KUHDRAXGVHVHTM-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2cc(C)cc(Cl)c2)cc1O ZINC000065342604 175030451 /nfs/dbraw/zinc/03/04/51/175030451.db2.gz ANJJYWOXPNBKFX-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2ccc(Cl)cc2C)cc1O ZINC000065342609 175033072 /nfs/dbraw/zinc/03/30/72/175033072.db2.gz USYZYUVXCQGRTL-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1cc(-c2ccc(Cl)c(C)c2)ccc1O ZINC000065342613 174938265 /nfs/dbraw/zinc/93/82/65/174938265.db2.gz OHKMJEDPMYMPFM-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2ccc(Cl)c(C)c2)cc1O ZINC000065342615 175032837 /nfs/dbraw/zinc/03/28/37/175032837.db2.gz UHYLRJYQZHGKDX-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN Cc1ccccc1-c1ccc(O)c(Cl)c1 ZINC000065343026 179235590 /nfs/dbraw/zinc/23/55/90/179235590.db2.gz BMUIRTDPKYCANY-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccccc1-c1ccc(Cl)c(O)c1 ZINC000065343027 179235379 /nfs/dbraw/zinc/23/53/79/179235379.db2.gz SBUSBNHRDIREMW-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1cccc(-c2cc(O)cc(Cl)c2)c1 ZINC000065343035 178993628 /nfs/dbraw/zinc/99/36/28/178993628.db2.gz QSEKOMZQLASYKN-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccc(-c2ccc(O)c(Cl)c2)cc1 ZINC000065343037 178325772 /nfs/dbraw/zinc/32/57/72/178325772.db2.gz TVRZSXHGAGIEFQ-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccc(-c2ccc(Cl)c(O)c2)cc1 ZINC000065343039 178324745 /nfs/dbraw/zinc/32/47/45/178324745.db2.gz WATUMSLRFWXSDI-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccc(-c2cc(O)cc(Cl)c2)cc1 ZINC000065343041 178321068 /nfs/dbraw/zinc/32/10/68/178321068.db2.gz VQYUGCQSOOCFIB-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1ccc(C)c(-c2ccc(Cl)c(O)c2)c1 ZINC000065343098 178460028 /nfs/dbraw/zinc/46/00/28/178460028.db2.gz PGLPROSQVQEKGA-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2ccc(O)c(Cl)c2)c(C)c1 ZINC000065343106 178325322 /nfs/dbraw/zinc/32/53/22/178325322.db2.gz LEYALUDHJKOMFB-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2ccc(Cl)c(O)c2)c(C)c1 ZINC000065343107 178324761 /nfs/dbraw/zinc/32/47/61/178324761.db2.gz SANUTCQUPIIZKC-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2cc(O)cc(Cl)c2)c(C)c1 ZINC000065343108 178321636 /nfs/dbraw/zinc/32/16/36/178321636.db2.gz QJSIBJWWBZZUFJ-UHFFFAOYSA-N 0 0 232.710 4.329 10 0 BIAERN Cc1ccc(-c2ccc(O)c(Cl)c2)c(F)c1 ZINC000065343139 178325728 /nfs/dbraw/zinc/32/57/28/178325728.db2.gz FXXXFJBLSCLTJB-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2ccc(Cl)c(O)c2)c(F)c1 ZINC000065343143 178324470 /nfs/dbraw/zinc/32/44/70/178324470.db2.gz LFVYSHASOJVFBC-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2cc(O)cc(Cl)c2)c(F)c1 ZINC000065343145 178321659 /nfs/dbraw/zinc/32/16/59/178321659.db2.gz DYTISLZGXICVER-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2ccc(O)c(Cl)c2)cc1F ZINC000065343155 178325953 /nfs/dbraw/zinc/32/59/53/178325953.db2.gz TUCUVMVVVDPACN-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Cc1ccc(-c2ccc(Cl)c(O)c2)cc1F ZINC000065343157 178324767 /nfs/dbraw/zinc/32/47/67/178324767.db2.gz VVRKTNNHUXMYHL-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Oc1ccc(-c2ccccc2Cl)cc1Cl ZINC000065343196 183264629 /nfs/dbraw/zinc/26/46/29/183264629.db2.gz NZSNRBBGQCAOPP-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN Oc1cc(Cl)cc(-c2ccccc2Cl)c1 ZINC000065343198 183259406 /nfs/dbraw/zinc/25/94/06/183259406.db2.gz APMZYXANUKRDPJ-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN Oc1cc(-c2cccc(Cl)c2)ccc1Cl ZINC000065343199 183254817 /nfs/dbraw/zinc/25/48/17/183254817.db2.gz WGSVCHKOTNOIFO-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN Oc1cc(Cl)cc(-c2ccc(Cl)cc2)c1 ZINC000065343200 183258661 /nfs/dbraw/zinc/25/86/61/183258661.db2.gz FIMQOEFZMQODAK-UHFFFAOYSA-N 0 0 239.101 4.366 10 0 BIAERN COc1ccc(C)cc1-c1ccc(O)c(Cl)c1 ZINC000065343258 175072121 /nfs/dbraw/zinc/07/21/21/175072121.db2.gz AXGZIKZAZYCCCV-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(C)cc1-c1ccc(Cl)c(O)c1 ZINC000065343260 175072646 /nfs/dbraw/zinc/07/26/46/175072646.db2.gz JHRQQNUQLZFHFU-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(C)cc1-c1cc(O)cc(Cl)c1 ZINC000065343261 175071801 /nfs/dbraw/zinc/07/18/01/175071801.db2.gz SVLALZWFVJQELV-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2ccc(O)c(Cl)c2)c(C)c1 ZINC000065343262 175033986 /nfs/dbraw/zinc/03/39/86/175033986.db2.gz PGGIWCPJYAHMQC-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2ccc(Cl)c(O)c2)c(C)c1 ZINC000065343264 175033448 /nfs/dbraw/zinc/03/34/48/175033448.db2.gz FRZRYMXVJGRHNE-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2cc(O)cc(Cl)c2)c(C)c1 ZINC000065343266 175032666 /nfs/dbraw/zinc/03/26/66/175032666.db2.gz CZPQBUVWYZSVJL-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2ccc(O)c(Cl)c2)cc1C ZINC000065343267 175034643 /nfs/dbraw/zinc/03/46/43/175034643.db2.gz NVZMDKBHJTUWGX-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2ccc(Cl)c(O)c2)cc1C ZINC000065343268 175033423 /nfs/dbraw/zinc/03/34/23/175033423.db2.gz PKVSVEFBKNFHQE-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN COc1ccc(-c2cc(O)cc(Cl)c2)cc1C ZINC000065343270 175032346 /nfs/dbraw/zinc/03/23/46/175032346.db2.gz ACDQDNIRFQHBKG-UHFFFAOYSA-N 0 0 248.709 4.030 10 0 BIAERN Oc1cc(-c2cccs2)cc(C(F)(F)F)c1 ZINC000065343990 183257149 /nfs/dbraw/zinc/25/71/49/183257149.db2.gz RTPBGRDJNIRPJP-UHFFFAOYSA-N 0 0 244.237 4.140 10 0 BIAERN Oc1cc(-c2ccsc2)cc(C(F)(F)F)c1 ZINC000065343992 183257571 /nfs/dbraw/zinc/25/75/71/183257571.db2.gz MYGWOACWMRDLPQ-UHFFFAOYSA-N 0 0 244.237 4.140 10 0 BIAERN Fc1ccccc1NCCc1ccc(Cl)cc1 ZINC000066164542 181014616 /nfs/dbraw/zinc/01/46/16/181014616.db2.gz ZOHRWVXAFGOOKF-UHFFFAOYSA-N 0 0 249.716 4.134 10 0 BIAERN CCCOc1ccc(NCC2CCCCC2)cc1 ZINC000066165712 169320018 /nfs/dbraw/zinc/32/00/18/169320018.db2.gz NFODWFBIUWPPJD-UHFFFAOYSA-N 0 0 247.382 4.468 10 0 BIAERN CC(C)COc1cccc(NCC(C)(C)C)c1 ZINC000066167950 187441257 /nfs/dbraw/zinc/44/12/57/187441257.db2.gz QLTYPZXYGZEWCL-UHFFFAOYSA-N 0 0 235.371 4.179 10 0 BIAERN Brc1ccc2c3c(cccc13)CC=C2 ZINC000066345603 166100189 /nfs/dbraw/zinc/10/01/89/166100189.db2.gz VOARYMMTZDSSDW-UHFFFAOYSA-N 0 0 245.119 4.172 10 0 BIAERN Clc1ccc2nc(-c3ccccc3)sc2n1 ZINC000067175704 383914828 /nfs/dbraw/zinc/91/48/28/383914828.db2.gz BPAJTCHCVLSESU-UHFFFAOYSA-N 0 0 246.722 4.012 10 0 BIAERN Cc1ccc(-c2cc3cc(C)ccn3c2)cc1 ZINC000068585796 373023937 /nfs/dbraw/zinc/02/39/37/373023937.db2.gz WAYFJJKEDIKHEU-UHFFFAOYSA-N 0 0 221.303 4.223 10 0 BIAERN C=C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000068588754 364020956 /nfs/dbraw/zinc/02/09/56/364020956.db2.gz OKWIEHVHIHQUFB-UHFFFAOYSA-N 0 0 216.230 4.026 10 0 BIAERN CC1(C)CCC(C)(C)c2cc(Cl)c(N)cc21 ZINC000068590246 191002446 /nfs/dbraw/zinc/00/24/46/191002446.db2.gz NPIBGJQKCQIGKK-UHFFFAOYSA-N 0 0 237.774 4.271 10 0 BIAERN CC(=O)c1ccc(-c2cncc3ccccc32)cc1 ZINC000069265438 411601956 /nfs/dbraw/zinc/60/19/56/411601956.db2.gz MDGHSSYMRPSVAS-UHFFFAOYSA-N 0 0 247.297 4.104 10 0 BIAERN CC(=O)c1cccc(-c2cncc3ccccc32)c1 ZINC000069265471 411601983 /nfs/dbraw/zinc/60/19/83/411601983.db2.gz BCJWXJLMRQBMCT-UHFFFAOYSA-N 0 0 247.297 4.104 10 0 BIAERN CC(C)c1ccc(Oc2cccc(C=O)c2)cc1 ZINC000069326761 349945366 /nfs/dbraw/zinc/94/53/66/349945366.db2.gz FOKNHJGUWZAFLU-UHFFFAOYSA-N 0 0 240.302 4.415 10 0 BIAERN O=Cc1cccc(Oc2cccc3ccccc32)c1 ZINC000069326831 349945913 /nfs/dbraw/zinc/94/59/13/349945913.db2.gz OSJIANKQQRLVNI-UHFFFAOYSA-N 0 0 248.281 4.445 10 0 BIAERN CCCC[C@H](CC)Nc1ccccc1COC ZINC000069372149 324941342 /nfs/dbraw/zinc/94/13/42/324941342.db2.gz WAYWNMHSLULXIJ-AWEZNQCLSA-N 0 0 235.371 4.214 10 0 BIAERN Cc1ccsc1[C@@H](C)Nc1ccccc1 ZINC000069635800 384052177 /nfs/dbraw/zinc/05/21/77/384052177.db2.gz BKUGAVCGSHGZOB-LLVKDONJSA-N 0 0 217.337 4.230 10 0 BIAERN Cc1ccsc1[C@H](C)Nc1ccccc1 ZINC000069635801 384051653 /nfs/dbraw/zinc/05/16/53/384051653.db2.gz BKUGAVCGSHGZOB-NSHDSACASA-N 0 0 217.337 4.230 10 0 BIAERN Clc1ccc2ccc(Cl)c(Cl)c2n1 ZINC000070054998 384075697 /nfs/dbraw/zinc/07/56/97/384075697.db2.gz GMWMBZACFDXEKV-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN Clc1cc(Cl)c2nc(Cl)ccc2c1 ZINC000070055078 361388418 /nfs/dbraw/zinc/38/84/18/361388418.db2.gz ZHXPLDKBULRDQR-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN Clc1cc(Cl)c2ccc(Cl)nc2c1 ZINC000070055081 361388558 /nfs/dbraw/zinc/38/85/58/361388558.db2.gz WEXKNHYUKUGFKP-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN Clc1ccc2c(Cl)ccc(Cl)c2n1 ZINC000070055084 384074921 /nfs/dbraw/zinc/07/49/21/384074921.db2.gz YVWFFKZWXRICFB-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN CCNc1nc(-c2ccc(C(C)C)cc2)cs1 ZINC000070135815 170175437 /nfs/dbraw/zinc/17/54/37/170175437.db2.gz WYSOVCYVKIRMMY-UHFFFAOYSA-N 0 0 246.379 4.365 10 0 BIAERN CCCNc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000070135819 169296090 /nfs/dbraw/zinc/29/60/90/169296090.db2.gz ZVGWYXXNBJTRFF-UHFFFAOYSA-N 0 0 246.379 4.249 10 0 BIAERN CCCNc1nc(-c2ccc(CC)cc2)cs1 ZINC000070135827 169295732 /nfs/dbraw/zinc/29/57/32/169295732.db2.gz UOVMDZXOQNNVJH-UHFFFAOYSA-N 0 0 246.379 4.194 10 0 BIAERN Clc1cccc(Oc2ccccc2Cl)n1 ZINC000070152360 361469583 /nfs/dbraw/zinc/46/95/83/361469583.db2.gz BRKCPUXYXWHSMD-UHFFFAOYSA-N 0 0 240.089 4.181 10 0 BIAERN Clc1cccc(Oc2cccc(Cl)n2)c1 ZINC000070152366 361468951 /nfs/dbraw/zinc/46/89/51/361468951.db2.gz AMIUIRPGPVUBGZ-UHFFFAOYSA-N 0 0 240.089 4.181 10 0 BIAERN CCc1cc2c(nc(C(C)C)nc2Cl)s1 ZINC000070154758 642974735 /nfs/dbraw/zinc/97/47/35/642974735.db2.gz LRTKFUMTISYJHE-UHFFFAOYSA-N 0 0 240.759 4.031 10 0 BIAERN CC[C@H]1CCCC[C@@H]1Oc1ccc([C@@H](C)O)cc1 ZINC000070168586 171610278 /nfs/dbraw/zinc/61/02/78/171610278.db2.gz RVJQZTRAVYRUAE-WWGRRREGSA-N 0 0 248.366 4.088 10 0 BIAERN CC[C@H]1CCCC[C@H]1Oc1ccc([C@@H](C)O)cc1 ZINC000070168588 171612883 /nfs/dbraw/zinc/61/28/83/171612883.db2.gz RVJQZTRAVYRUAE-DVOMOZLQSA-N 0 0 248.366 4.088 10 0 BIAERN CC[C@@H]1CCCC[C@@H]1Oc1ccccc1[C@@H](C)O ZINC000070168589 170968558 /nfs/dbraw/zinc/96/85/58/170968558.db2.gz RCZHUWLFXVGRSQ-NFAWXSAZSA-N 0 0 248.366 4.088 10 0 BIAERN S=C1N=C(c2ccc3ccccc3c2)CS1 ZINC000070203076 188130482 /nfs/dbraw/zinc/13/04/82/188130482.db2.gz QKDUHWPKLPAXAP-UHFFFAOYSA-N 0 0 243.356 4.252 10 0 BIAERN CCc1ccccc1OCc1ccc(Cl)cc1 ZINC000070236259 398128378 /nfs/dbraw/zinc/12/83/78/398128378.db2.gz SYURIXQYDDGYCM-UHFFFAOYSA-N 0 0 246.737 4.481 10 0 BIAERN CCc1ccccc1OCc1cccc(Cl)c1 ZINC000070236262 398128453 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10 0 BIAERN CCc1cccc(OCc2ccccc2C)c1 ZINC000070236335 171865906 /nfs/dbraw/zinc/86/59/06/171865906.db2.gz RRGDVPXOFLMMRG-UHFFFAOYSA-N 0 0 226.319 4.136 10 0 BIAERN Cc1ccc(COc2ccc(C)cc2C)cc1 ZINC000070236365 188130670 /nfs/dbraw/zinc/13/06/70/188130670.db2.gz WAGBYBSNFGQOAL-UHFFFAOYSA-N 0 0 226.319 4.191 10 0 BIAERN Cc1ccc(OCc2cc(C)ccc2C)c(C)c1 ZINC000070236375 398129251 /nfs/dbraw/zinc/12/92/51/398129251.db2.gz BEWJTNFFVANYNX-UHFFFAOYSA-N 0 0 240.346 4.499 10 0 BIAERN Cc1ccc(OCc2ccccc2C)c(C)c1 ZINC000070236376 398129257 /nfs/dbraw/zinc/12/92/57/398129257.db2.gz ICYVELHHUICWDB-UHFFFAOYSA-N 0 0 226.319 4.191 10 0 BIAERN Cc1ccc(COc2ccc(Cl)cc2)cc1 ZINC000070236458 205473373 /nfs/dbraw/zinc/47/33/73/205473373.db2.gz WPWFHYGFKAZLRD-UHFFFAOYSA-N 0 0 232.710 4.227 10 0 BIAERN Cc1ccccc1COc1ccc(Cl)cc1 ZINC000070236468 179285900 /nfs/dbraw/zinc/28/59/00/179285900.db2.gz IYDKGGDKLPTISZ-UHFFFAOYSA-N 0 0 232.710 4.227 10 0 BIAERN Cc1ccc(OCc2cc(C)ccc2C)cc1 ZINC000070236482 398129286 /nfs/dbraw/zinc/12/92/86/398129286.db2.gz JZJKPLSBAHAGGL-UHFFFAOYSA-N 0 0 226.319 4.191 10 0 BIAERN Cc1ccc(C)c(COc2ccccc2C)c1 ZINC000070236521 178475843 /nfs/dbraw/zinc/47/58/43/178475843.db2.gz ZZSSJXGDPKEXHF-UHFFFAOYSA-N 0 0 226.319 4.191 10 0 BIAERN Cc1ccc(C)c(COc2cccc(F)c2)c1 ZINC000070236597 178476097 /nfs/dbraw/zinc/47/60/97/178476097.db2.gz BRAQDAVZOZMNPP-UHFFFAOYSA-N 0 0 230.282 4.022 10 0 BIAERN Clc1ccccc1OCCCc1ccccc1 ZINC000070238092 384091001 /nfs/dbraw/zinc/09/10/01/384091001.db2.gz QAJDQLXULHXILP-UHFFFAOYSA-N 0 0 246.737 4.352 10 0 BIAERN Cc1ccccc1OCCCc1ccccc1 ZINC000070238096 179310668 /nfs/dbraw/zinc/31/06/68/179310668.db2.gz CDKFKMGWTHCJOG-UHFFFAOYSA-N 0 0 226.319 4.007 10 0 BIAERN Clc1cccc(OCCCc2ccccc2)c1 ZINC000070238098 180592244 /nfs/dbraw/zinc/59/22/44/180592244.db2.gz SEAFPNSSDUHUGU-UHFFFAOYSA-N 0 0 246.737 4.352 10 0 BIAERN CCc1cccc(OCCCc2ccccc2)c1 ZINC000070238102 384089917 /nfs/dbraw/zinc/08/99/17/384089917.db2.gz UXICOQPBGBJYRI-UHFFFAOYSA-N 0 0 240.346 4.261 10 0 BIAERN Cc1ccc(OC/C=C/c2ccccc2)c(C)c1 ZINC000070238264 384090980 /nfs/dbraw/zinc/09/09/80/384090980.db2.gz LHDBOKURNLUEFQ-RMKNXTFCSA-N 0 0 238.330 4.396 10 0 BIAERN CCc1ccccc1OCc1cc(C)cc(C)c1 ZINC000070238276 171891288 /nfs/dbraw/zinc/89/12/88/171891288.db2.gz DNUSMTBRXQKQJY-UHFFFAOYSA-N 0 0 240.346 4.445 10 0 BIAERN Cc1ccc(OCc2cc(C)cc(C)c2)c(C)c1 ZINC000070238286 384091094 /nfs/dbraw/zinc/09/10/94/384091094.db2.gz XYWQQHCPSKAEEZ-UHFFFAOYSA-N 0 0 240.346 4.499 10 0 BIAERN CC(C)c1ccc(COc2ccccc2)cc1 ZINC000070238306 167599072 /nfs/dbraw/zinc/59/90/72/167599072.db2.gz CQEDQJALAJFGKW-UHFFFAOYSA-N 0 0 226.319 4.389 10 0 BIAERN Cc1ccc(C)c(-c2nc3c(cccc3C)[nH]2)c1 ZINC000070238332 349972335 /nfs/dbraw/zinc/97/23/35/349972335.db2.gz VAKSESKMDIMRQZ-UHFFFAOYSA-N 0 0 236.318 4.155 10 0 BIAERN Cc1ccccc1-c1nc2cc(Cl)ccc2[nH]1 ZINC000070238367 179238310 /nfs/dbraw/zinc/23/83/10/179238310.db2.gz UOASGQSYRLCRLB-UHFFFAOYSA-N 0 0 242.709 4.192 10 0 BIAERN CO[C@H]1CCC[C@@H](Nc2ccccc2C(C)C)C1 ZINC000070325543 490206645 /nfs/dbraw/zinc/20/66/45/490206645.db2.gz XFTPBOBSOPNDEG-KGLIPLIRSA-N 0 0 247.382 4.180 10 0 BIAERN CO[C@H]1CCC[C@H](Nc2ccccc2C(C)C)C1 ZINC000070325545 490207513 /nfs/dbraw/zinc/20/75/13/490207513.db2.gz XFTPBOBSOPNDEG-KBPBESRZSA-N 0 0 247.382 4.180 10 0 BIAERN CO[C@@H]1CCC[C@@H](Nc2ccccc2C(C)C)C1 ZINC000070325546 490207249 /nfs/dbraw/zinc/20/72/49/490207249.db2.gz XFTPBOBSOPNDEG-ZIAGYGMSSA-N 0 0 247.382 4.180 10 0 BIAERN CO[C@@H]1CCC[C@H](Nc2ccccc2C(C)C)C1 ZINC000070325548 490207530 /nfs/dbraw/zinc/20/75/30/490207530.db2.gz XFTPBOBSOPNDEG-UONOGXRCSA-N 0 0 247.382 4.180 10 0 BIAERN CC[C@@H]1C[C@H](Nc2ccccc2C(C)C)CCO1 ZINC000070343630 411390437 /nfs/dbraw/zinc/39/04/37/411390437.db2.gz NCHVNGRUQCRKKP-ZIAGYGMSSA-N 0 0 247.382 4.180 10 0 BIAERN CC[C@H]1C[C@H](Nc2ccccc2C(C)C)CCO1 ZINC000070343631 411391181 /nfs/dbraw/zinc/39/11/81/411391181.db2.gz NCHVNGRUQCRKKP-KGLIPLIRSA-N 0 0 247.382 4.180 10 0 BIAERN CC[C@@H]1C[C@@H](Nc2ccccc2C(C)C)CCO1 ZINC000070343632 411390691 /nfs/dbraw/zinc/39/06/91/411390691.db2.gz NCHVNGRUQCRKKP-UONOGXRCSA-N 0 0 247.382 4.180 10 0 BIAERN CC[C@H]1C[C@@H](Nc2ccccc2C(C)C)CCO1 ZINC000070343633 411390495 /nfs/dbraw/zinc/39/04/95/411390495.db2.gz NCHVNGRUQCRKKP-KBPBESRZSA-N 0 0 247.382 4.180 10 0 BIAERN CC(C)CC(=O)c1ccc(F)c2ccccc12 ZINC000070372605 374139506 /nfs/dbraw/zinc/13/95/06/374139506.db2.gz DQFUZWXIRAWPCJ-UHFFFAOYSA-N 0 0 230.282 4.208 10 0 BIAERN CCCCC(=O)c1ccc(F)c2ccccc12 ZINC000070372651 374140182 /nfs/dbraw/zinc/14/01/82/374140182.db2.gz KUPIDEKZCWVPDJ-UHFFFAOYSA-N 0 0 230.282 4.352 10 0 BIAERN CC[C@@H](C)C(=O)c1ccc(F)c2ccccc12 ZINC000070372661 374139555 /nfs/dbraw/zinc/13/95/55/374139555.db2.gz IBRVVMBFDXRFLO-SNVBAGLBSA-N 0 0 230.282 4.208 10 0 BIAERN CC[C@H](C)C(=O)c1ccc(F)c2ccccc12 ZINC000070372662 374140040 /nfs/dbraw/zinc/14/00/40/374140040.db2.gz IBRVVMBFDXRFLO-JTQLQIEISA-N 0 0 230.282 4.208 10 0 BIAERN O=C(c1ccc(F)c2ccccc12)C1CCCC1 ZINC000070372709 374140417 /nfs/dbraw/zinc/14/04/17/374140417.db2.gz NKYYPOPTSKMBGF-UHFFFAOYSA-N 0 0 242.293 4.352 10 0 BIAERN Nc1cc2[nH]ccc2c(SC2CCCCC2)c1 ZINC000070453780 361517264 /nfs/dbraw/zinc/51/72/64/361517264.db2.gz UUXHGZJZGMXUGX-UHFFFAOYSA-N 0 0 246.379 4.175 10 0 BIAERN C[C@@H]1CCCC2=CC[C@@H]3[C@@H](C3(C)C)[C@]21C ZINC000070454250 176062352 /nfs/dbraw/zinc/06/23/52/176062352.db2.gz FOBXOZMHEKILEY-PBOSXPJTSA-N 0 0 204.357 4.415 10 0 endogenous,in-man BIAERN C[C@H]1CCCC2=CC[C@H]3[C@H](C3(C)C)[C@@]21C ZINC000070455024 290797818 /nfs/dbraw/zinc/79/78/18/290797818.db2.gz FOBXOZMHEKILEY-MUYACECFSA-N 0 0 204.357 4.415 10 0 biogenic,in-vitro BIAERN Fc1ccc2[nH]c(-c3ccsc3)cc2c1 ZINC000070463037 388437088 /nfs/dbraw/zinc/43/70/88/388437088.db2.gz LNZISPODRLBNLZ-UHFFFAOYSA-N 0 0 217.268 4.036 10 0 BIAERN Cc1cc(Cl)c2cccc(C(C)(C)C)c2n1 ZINC000070569875 178062417 /nfs/dbraw/zinc/06/24/17/178062417.db2.gz WXRMMUJYPLKVRZ-UHFFFAOYSA-N 0 0 233.742 4.494 10 0 BIAERN CC(C)Cc1ccc(C2=NC(=S)SC2)cc1 ZINC000070598242 187274854 /nfs/dbraw/zinc/27/48/54/187274854.db2.gz PRKOMZYVQRSGFZ-UHFFFAOYSA-N 0 0 249.404 4.297 10 0 BIAERN Cc1cc(C)c(C2=NC(=S)SC2)c(C)c1 ZINC000070598286 177834213 /nfs/dbraw/zinc/83/42/13/177834213.db2.gz AMCWKJYXDUMRNA-UHFFFAOYSA-N 0 0 235.377 4.024 10 0 BIAERN Fc1ccc(-c2csc(Cl)n2)c(Cl)c1 ZINC000070603050 361589896 /nfs/dbraw/zinc/58/98/96/361589896.db2.gz ZCTJADLJMIPBGS-UHFFFAOYSA-N 0 0 248.109 4.256 10 0 BIAERN CC[C@@H](C)C(=O)c1cccc2ccccc21 ZINC000070650520 361695638 /nfs/dbraw/zinc/69/56/38/361695638.db2.gz FYDBDMBLJKKIKJ-LLVKDONJSA-N 0 0 212.292 4.069 10 0 BIAERN CC[C@H](C)C(=O)c1cccc2ccccc21 ZINC000070650521 345795668 /nfs/dbraw/zinc/79/56/68/345795668.db2.gz FYDBDMBLJKKIKJ-NSHDSACASA-N 0 0 212.292 4.069 10 0 BIAERN O=C1CCC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC000070737826 384134638 /nfs/dbraw/zinc/13/46/38/384134638.db2.gz QQPUNCAQVACTCH-MRVPVSSYSA-N 0 0 243.133 4.220 10 0 BIAERN O=C1CCC[C@H](c2cccc(Cl)c2Cl)C1 ZINC000070737829 388439220 /nfs/dbraw/zinc/43/92/20/388439220.db2.gz QQPUNCAQVACTCH-QMMMGPOBSA-N 0 0 243.133 4.220 10 0 BIAERN Cc1ccc([C@H](O)[C@H]2CCC[C@H](C)C2)cc1C ZINC000070941240 178916033 /nfs/dbraw/zinc/91/60/33/178916033.db2.gz XNESSYTWYMKBHZ-HZUKXOBISA-N 0 0 232.367 4.163 10 0 BIAERN CC(C)(C)CC(=O)c1cccc2ccccc21 ZINC000070978801 361924801 /nfs/dbraw/zinc/92/48/01/361924801.db2.gz QYCHKJIULXVQBJ-UHFFFAOYSA-N 0 0 226.319 4.459 10 0 BIAERN CC(C)(C)c1cc2ccccc2nc1Cl ZINC000071049262 350083773 /nfs/dbraw/zinc/08/37/73/350083773.db2.gz XHBZKDSDDJQIQP-UHFFFAOYSA-N 0 0 219.715 4.186 10 0 BIAERN CCC1CCC(Cn2c(C)ccc2C)CC1 ZINC000071084577 168515944 /nfs/dbraw/zinc/51/59/44/168515944.db2.gz MYAYYTXOGZJKQR-UHFFFAOYSA-N 0 0 219.372 4.321 10 0 BIAERN Cc1cc(Cl)c2nc(C)c(C)c(Cl)c2c1 ZINC000071084709 178061923 /nfs/dbraw/zinc/06/19/23/178061923.db2.gz XRNKZJTWJBYICE-UHFFFAOYSA-N 0 0 240.133 4.467 10 0 BIAERN CCc1c(C)nc2ccc(Cl)cc2c1Cl ZINC000071084737 171741704 /nfs/dbraw/zinc/74/17/04/171741704.db2.gz BGBOSMGZGANSRZ-UHFFFAOYSA-N 0 0 240.133 4.412 10 0 BIAERN Cc1cc(Cl)cc2c(Cl)c(C)c(C)nc12 ZINC000071084755 361945588 /nfs/dbraw/zinc/94/55/88/361945588.db2.gz QVCSQGNKHRXDFY-UHFFFAOYSA-N 0 0 240.133 4.467 10 0 BIAERN CCCCCCC(=O)c1cccc(Cl)c1 ZINC000071085040 361945822 /nfs/dbraw/zinc/94/58/22/361945822.db2.gz SSTYNRBDEIESJS-UHFFFAOYSA-N 0 0 224.731 4.493 10 0 BIAERN CC(C)(C)CCNc1ccc(Cl)cc1 ZINC000071085642 166571729 /nfs/dbraw/zinc/57/17/29/166571729.db2.gz MRVLNIMQLGQUDB-UHFFFAOYSA-N 0 0 211.736 4.188 10 0 BIAERN CCc1ccc(NCCC(C)(C)C)cc1 ZINC000071085672 171821163 /nfs/dbraw/zinc/82/11/63/171821163.db2.gz HEFQCISNBIILQG-UHFFFAOYSA-N 0 0 205.345 4.097 10 0 BIAERN CCc1ccccc1NCCC(C)(C)C ZINC000071085675 171888574 /nfs/dbraw/zinc/88/85/74/171888574.db2.gz SCZGLMUOIVYDEH-UHFFFAOYSA-N 0 0 205.345 4.097 10 0 BIAERN CCc1cccc(NCCC(C)(C)C)c1 ZINC000071085678 171861836 /nfs/dbraw/zinc/86/18/36/171861836.db2.gz YFYOYLRXAWBLKW-UHFFFAOYSA-N 0 0 205.345 4.097 10 0 BIAERN Cc1cc(Cl)ccc1NCCC(C)(C)C ZINC000071085684 187940009 /nfs/dbraw/zinc/94/00/09/187940009.db2.gz VNJBNVASWNTFKT-UHFFFAOYSA-N 0 0 225.763 4.497 10 0 BIAERN CCCc1ccc(NCC2CCCC2)cc1 ZINC000071085711 169571928 /nfs/dbraw/zinc/57/19/28/169571928.db2.gz GANKSJTYCYQQLZ-UHFFFAOYSA-N 0 0 217.356 4.241 10 0 BIAERN Cc1ccc(NCCC(C)(C)C)c(Cl)c1 ZINC000071085747 188287165 /nfs/dbraw/zinc/28/71/65/188287165.db2.gz SCXRBEMGYTZCBW-UHFFFAOYSA-N 0 0 225.763 4.497 10 0 BIAERN CCC[C@@H](C)CNc1c(C)cc(C)cc1C ZINC000071104448 169361151 /nfs/dbraw/zinc/36/11/51/169361151.db2.gz ZVFJBIHNFJJKAE-LLVKDONJSA-N 0 0 219.372 4.460 10 0 BIAERN CCC(CC)CNc1c(C)cc(C)cc1C ZINC000071104483 168364432 /nfs/dbraw/zinc/36/44/32/168364432.db2.gz GUUGFAXUQCBHDN-UHFFFAOYSA-N 0 0 219.372 4.460 10 0 BIAERN CCC[C@@H](C)CNc1c(C)cccc1CC ZINC000071104525 169360751 /nfs/dbraw/zinc/36/07/51/169360751.db2.gz OPPLBDGYTNMAOZ-GFCCVEGCSA-N 0 0 219.372 4.406 10 0 BIAERN COc1ccc(Cl)c(NCCC(C)(C)C)c1 ZINC000071105856 175118958 /nfs/dbraw/zinc/11/89/58/175118958.db2.gz OEWJOVLBWYSWKW-UHFFFAOYSA-N 0 0 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169483416 /nfs/dbraw/zinc/48/34/16/169483416.db2.gz WIUJCKFDWXVVEF-NSHDSACASA-N 0 0 205.345 4.152 10 0 BIAERN CCCNc1c(Cl)ccc(C)c1Cl ZINC000071136839 361960177 /nfs/dbraw/zinc/96/01/77/361960177.db2.gz FTOWFGSOZMHISS-UHFFFAOYSA-N 0 0 218.127 4.124 10 0 BIAERN C[C@@H]1CCC[C@@H]1Nc1ccc2ccccc2c1 ZINC000071208028 176132944 /nfs/dbraw/zinc/13/29/44/176132944.db2.gz XOECBEJQRBBXDZ-WBMJQRKESA-N 0 0 225.335 4.440 10 0 BIAERN C[C@H]1CCC[C@@H]1Nc1ccc2ccccc2c1 ZINC000071208029 177126795 /nfs/dbraw/zinc/12/67/95/177126795.db2.gz XOECBEJQRBBXDZ-LRDDRELGSA-N 0 0 225.335 4.440 10 0 BIAERN C[C@@H]1CCC[C@H]1Nc1ccc2ccccc2c1 ZINC000071208030 176151573 /nfs/dbraw/zinc/15/15/73/176151573.db2.gz XOECBEJQRBBXDZ-MLGOLLRUSA-N 0 0 225.335 4.440 10 0 BIAERN C[C@H]1CCC[C@H]1Nc1ccc2ccccc2c1 ZINC000071208031 177142710 /nfs/dbraw/zinc/14/27/10/177142710.db2.gz XOECBEJQRBBXDZ-BLLLJJGKSA-N 0 0 225.335 4.440 10 0 BIAERN C[C@@H]1CCC[C@@H]1n1ccc2c1CC(C)(C)CC2=O ZINC000071209309 176132897 /nfs/dbraw/zinc/13/28/97/176132897.db2.gz AFYMRUUNKWQGSD-YPMHNXCESA-N 0 0 245.366 4.004 10 0 BIAERN C[C@H]1CCC[C@@H]1n1ccc2c1CC(C)(C)CC2=O ZINC000071209310 177127624 /nfs/dbraw/zinc/12/76/24/177127624.db2.gz AFYMRUUNKWQGSD-AAEUAGOBSA-N 0 0 245.366 4.004 10 0 BIAERN C[C@@H]1CCC[C@H]1n1ccc2c1CC(C)(C)CC2=O ZINC000071209311 176151642 /nfs/dbraw/zinc/15/16/42/176151642.db2.gz AFYMRUUNKWQGSD-DGCLKSJQSA-N 0 0 245.366 4.004 10 0 BIAERN C[C@H]1CCC[C@H]1n1ccc2c1CC(C)(C)CC2=O ZINC000071209312 177143913 /nfs/dbraw/zinc/14/39/13/177143913.db2.gz AFYMRUUNKWQGSD-WCQYABFASA-N 0 0 245.366 4.004 10 0 BIAERN Br/C=C/c1ccc2ccccc2c1 ZINC000071257020 166093241 /nfs/dbraw/zinc/09/32/41/166093241.db2.gz FQFYZGOEEVKXQD-BQYQJAHWSA-N 0 0 233.108 4.205 10 0 BIAERN Cc1cc2ccc(OCc3ccccc3)cc2o1 ZINC000071261204 178297415 /nfs/dbraw/zinc/29/74/15/178297415.db2.gz CPFXVVBPEDEIIY-UHFFFAOYSA-N 0 0 238.286 4.320 10 0 BIAERN Cc1noc(C)c1-c1ccc2sccc2c1 ZINC000071261321 384156979 /nfs/dbraw/zinc/15/69/79/384156979.db2.gz QIJGVBXFEUNYLQ-UHFFFAOYSA-N 0 0 229.304 4.173 10 0 BIAERN Cc1ccncc1N[C@H](C)c1ccccc1Cl ZINC000071412935 179496018 /nfs/dbraw/zinc/49/60/18/179496018.db2.gz ZQXDKZVCDODXMY-LLVKDONJSA-N 0 0 246.741 4.217 10 0 BIAERN CCCOc1ccc([C@H](O)CC)cc1C(C)C ZINC000071452667 169322379 /nfs/dbraw/zinc/32/23/79/169322379.db2.gz UJBGKXMRTZDRDC-CQSZACIVSA-N 0 0 236.355 4.042 10 0 BIAERN CCCOc1ccc([C@@H](O)CC)cc1C(C)C ZINC000071452668 169321906 /nfs/dbraw/zinc/32/19/06/169321906.db2.gz UJBGKXMRTZDRDC-AWEZNQCLSA-N 0 0 236.355 4.042 10 0 BIAERN CCC(=O)c1ccc(Cl)c2ccccc12 ZINC000071453824 168256417 /nfs/dbraw/zinc/25/64/17/168256417.db2.gz ZSCGIPALKZTMQM-UHFFFAOYSA-N 0 0 218.683 4.086 10 0 BIAERN CC(=O)c1cc(Cl)ccc1SC(C)C ZINC000071454149 166445734 /nfs/dbraw/zinc/44/57/34/166445734.db2.gz LLFOWGBWRWFSMW-UHFFFAOYSA-N 0 0 228.744 4.043 10 0 BIAERN CCNc1cc(Cl)ccc1SC(C)C ZINC000071454165 170171771 /nfs/dbraw/zinc/17/17/71/170171771.db2.gz WZZSRYNVCYWEOW-UHFFFAOYSA-N 0 0 229.776 4.272 10 0 BIAERN CC(C)[C@H]1CNc2ccc(C(C)(C)C)cc21 ZINC000071486419 167495033 /nfs/dbraw/zinc/49/50/33/167495033.db2.gz AELYAVFTRHNEFM-CYBMUJFWSA-N 0 0 217.356 4.149 10 0 BIAERN Cc1cc(C)c(C(=O)CC(C)(C)C)cc1C ZINC000071520855 388097674 /nfs/dbraw/zinc/09/76/74/388097674.db2.gz BAARTTRCHJWOLE-UHFFFAOYSA-N 0 0 218.340 4.231 10 0 BIAERN Cc1cc(N)cc(-c2ccc(C(C)C)cc2)c1 ZINC000071532472 187233906 /nfs/dbraw/zinc/23/39/06/187233906.db2.gz MNZGQEMFHVYKEH-UHFFFAOYSA-N 0 0 225.335 4.368 10 0 BIAERN CC(C)(C)c1ccc([C@H]2CCCC(=O)C2)cc1 ZINC000071534937 187960369 /nfs/dbraw/zinc/96/03/69/187960369.db2.gz UAZCHOPIHWUWIP-ZDUSSCGKSA-N 0 0 230.351 4.211 10 0 BIAERN CCC(=O)c1ccc(NC2CCCCC2)cc1 ZINC000071535550 168255558 /nfs/dbraw/zinc/25/55/58/168255558.db2.gz VXNYWANFBFQGLY-UHFFFAOYSA-N 0 0 231.339 4.024 10 0 BIAERN CC(=O)c1ccc(N[C@@H](C)c2ccccc2)cc1 ZINC000071549550 188306459 /nfs/dbraw/zinc/30/64/59/188306459.db2.gz ODGMSBRJISGAFY-LBPRGKRZSA-N 0 0 239.318 4.062 10 0 BIAERN CC(=O)c1ccc(N[C@H](C)c2ccccc2)cc1 ZINC000071549551 188306100 /nfs/dbraw/zinc/30/61/00/188306100.db2.gz ODGMSBRJISGAFY-GFCCVEGCSA-N 0 0 239.318 4.062 10 0 BIAERN CCC(=O)c1ccc(NC2CCCCCC2)cc1 ZINC000071560166 168256936 /nfs/dbraw/zinc/25/69/36/168256936.db2.gz NNHABRYMRHCYIC-UHFFFAOYSA-N 0 0 245.366 4.414 10 0 BIAERN CCCCOc1ccc(C(=O)C2CCCC2)cc1 ZINC000071560946 168917114 /nfs/dbraw/zinc/91/71/14/168917114.db2.gz WQKRIGTXNLWOOR-UHFFFAOYSA-N 0 0 246.350 4.238 10 0 BIAERN CC(C)(C)Oc1ccc(C(=O)C2CCCC2)cc1 ZINC000071560948 388099577 /nfs/dbraw/zinc/09/95/77/388099577.db2.gz FVIWCDZNCNWIOD-UHFFFAOYSA-N 0 0 246.350 4.237 10 0 BIAERN CC(C)(C)CC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000071563386 362011187 /nfs/dbraw/zinc/01/11/87/362011187.db2.gz MKAUKXWTAUWDNF-UHFFFAOYSA-N 0 0 248.366 4.483 10 0 BIAERN Cc1ccccc1-c1cccc(Br)c1 ZINC000071606172 179236759 /nfs/dbraw/zinc/23/67/59/179236759.db2.gz HJBHIOWSBMIZRA-UHFFFAOYSA-N 0 0 247.135 4.425 10 0 BIAERN C=C(c1ccncc1)c1cccc2ccccc21 ZINC000071606698 384173771 /nfs/dbraw/zinc/17/37/71/384173771.db2.gz FOEFNDBTMYIALG-UHFFFAOYSA-N 0 0 231.298 4.296 10 0 BIAERN Cc1ccc2ccccc2c1-c1cccc(CO)c1 ZINC000071792038 384116937 /nfs/dbraw/zinc/11/69/37/384116937.db2.gz JYXPYSZKXALZDY-UHFFFAOYSA-N 0 0 248.325 4.308 10 0 BIAERN Cc1ccc(-c2cccc(CO)c2)c2ccccc12 ZINC000071792039 178326768 /nfs/dbraw/zinc/32/67/68/178326768.db2.gz FNHFLAQXPIIWHA-UHFFFAOYSA-N 0 0 248.325 4.308 10 0 BIAERN COc1ccc(-c2nc(C3CC3)sc2C)cc1 ZINC000071872685 175039049 /nfs/dbraw/zinc/03/90/49/175039049.db2.gz KEWLJOLGSOTHKA-UHFFFAOYSA-N 0 0 245.347 4.005 10 0 BIAERN Cc1cccc2c(/C=C/c3cccnc3)c[nH]c21 ZINC000072105929 179208299 /nfs/dbraw/zinc/20/82/99/179208299.db2.gz UGRPGLAYQOXNFO-BQYQJAHWSA-N 0 0 234.302 4.042 10 0 BIAERN Cc1ccc2[nH]cc(/C=C/c3cccnc3)c2c1 ZINC000072106053 178937412 /nfs/dbraw/zinc/93/74/12/178937412.db2.gz ADFZDSQGKWVQPX-AATRIKPKSA-N 0 0 234.302 4.042 10 0 BIAERN Cc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1 ZINC000072106289 178938169 /nfs/dbraw/zinc/93/81/69/178938169.db2.gz BOJQHTYQIQRRPZ-AATRIKPKSA-N 0 0 234.302 4.042 10 0 BIAERN Fc1ccc2c(/C=C/c3ccccc3)c[nH]c2c1 ZINC000072107566 180984984 /nfs/dbraw/zinc/98/49/84/180984984.db2.gz ADCBCNBGSDOIIY-VOTSOKGWSA-N 0 0 237.277 4.477 10 0 BIAERN Brc1ccc(C2CCCC2)s1 ZINC000072191870 166098530 /nfs/dbraw/zinc/09/85/30/166098530.db2.gz FXNZJVWMJVRUMA-UHFFFAOYSA-N 0 0 231.158 4.168 10 0 BIAERN Brc1sccc1C1CCCC1 ZINC000072191879 166109614 /nfs/dbraw/zinc/10/96/14/166109614.db2.gz PETWQTQXPOSNAA-UHFFFAOYSA-N 0 0 231.158 4.168 10 0 BIAERN Brc1sccc1-c1ccccc1 ZINC000072191882 166107909 /nfs/dbraw/zinc/10/79/09/166107909.db2.gz XXJDQMSXISTAFG-UHFFFAOYSA-N 0 0 239.137 4.178 10 0 BIAERN Brc1occc1C1CCCCC1 ZINC000072191912 191004493 /nfs/dbraw/zinc/00/44/93/191004493.db2.gz KVOYWIZKHNWTID-UHFFFAOYSA-N 0 0 229.117 4.090 10 0 BIAERN Cc1ccccc1-c1ccoc1Br ZINC000072191920 179236211 /nfs/dbraw/zinc/23/62/11/179236211.db2.gz CSHXALLBASQFAD-UHFFFAOYSA-N 0 0 237.096 4.018 10 0 BIAERN Cc1ccc(-c2ccoc2Br)cc1 ZINC000072191933 178327992 /nfs/dbraw/zinc/32/79/92/178327992.db2.gz ZSRBGFAIOTWZCN-UHFFFAOYSA-N 0 0 237.096 4.018 10 0 BIAERN Brc1ccc(-c2ccsc2)s1 ZINC000072192310 166097023 /nfs/dbraw/zinc/09/70/23/166097023.db2.gz OCALZJRZOZRFSV-UHFFFAOYSA-N 0 0 245.166 4.239 10 0 BIAERN Brc1cccc(C2CCCC2)c1 ZINC000072193162 166102019 /nfs/dbraw/zinc/10/20/19/166102019.db2.gz JGDXDKHEWUGZPL-UHFFFAOYSA-N 0 0 225.129 4.107 10 0 BIAERN Brc1ccccc1C1CCCC1 ZINC000072193184 166102710 /nfs/dbraw/zinc/10/27/10/166102710.db2.gz MCDPIKOPJDSYAD-UHFFFAOYSA-N 0 0 225.129 4.107 10 0 BIAERN CC1(C)CCC(c2ccc(O)cc2)CC1 ZINC000072232956 384202124 /nfs/dbraw/zinc/20/21/24/384202124.db2.gz RLOXWMQXHTZWJS-UHFFFAOYSA-N 0 0 204.313 4.076 10 0 BIAERN CC(C)c1cccc2c(=S)cc[nH]c21 ZINC000072236886 384845059 /nfs/dbraw/zinc/84/50/59/384845059.db2.gz AFSDOWGNPALRBI-UHFFFAOYSA-N 0 0 203.310 4.021 10 0 BIAERN Cc1cnc2ccc(C(F)(F)F)cc2c1Cl ZINC000072236986 384202148 /nfs/dbraw/zinc/20/21/48/384202148.db2.gz IMDMQALVUMKPGS-UHFFFAOYSA-N 0 0 245.631 4.215 10 0 BIAERN Cc1cc(Cl)c2cc(C)c(Cl)cc2n1 ZINC000072237424 178062150 /nfs/dbraw/zinc/06/21/50/178062150.db2.gz DXJJBIRDYUTYRX-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN FC(F)=C(c1ccccc1)c1ccccc1 ZINC000072266083 342840422 /nfs/dbraw/zinc/84/04/22/342840422.db2.gz DFWBBWHFNTZGBV-UHFFFAOYSA-N 0 0 216.230 4.343 10 0 BIAERN CC(C)CCC1=CC(=O)Nc2ccccc2S1 ZINC000072416383 384110315 /nfs/dbraw/zinc/11/03/15/384110315.db2.gz FVUKEDCVNVHCPY-UHFFFAOYSA-N 0 0 247.363 4.051 10 0 BIAERN CC(C)c1ccc2oc(-c3ccncc3)nc2c1 ZINC000073635966 384025700 /nfs/dbraw/zinc/02/57/00/384025700.db2.gz SKRPLUZLOGOARK-UHFFFAOYSA-N 0 0 238.290 4.013 10 0 BIAERN CC(C)c1ccc2oc(-c3cccnc3)nc2c1 ZINC000073636031 384025456 /nfs/dbraw/zinc/02/54/56/384025456.db2.gz YIMVWKFJOWPPAB-UHFFFAOYSA-N 0 0 238.290 4.013 10 0 BIAERN c1ccc2c3nc(-c4cccnc4)oc3ccc2c1 ZINC000073638609 384027555 /nfs/dbraw/zinc/02/75/55/384027555.db2.gz WLMYNXSKKRQDSI-UHFFFAOYSA-N 0 0 246.269 4.043 10 0 BIAERN Clc1ccc2nc(-c3cccnc3)sc2c1 ZINC000073638650 384027408 /nfs/dbraw/zinc/02/74/08/384027408.db2.gz NPLPPIKBJXSOSA-UHFFFAOYSA-N 0 0 246.722 4.012 10 0 BIAERN Clc1ccc2nc(-c3ccncc3)sc2c1 ZINC000073638665 180588191 /nfs/dbraw/zinc/58/81/91/180588191.db2.gz QMBNWQNVYGTWGN-UHFFFAOYSA-N 0 0 246.722 4.012 10 0 BIAERN Cc1cc2nc(Cc3ccccc3)oc2c(C)c1 ZINC000073638724 384029541 /nfs/dbraw/zinc/02/95/41/384029541.db2.gz CRBSXHLLFASQAV-UHFFFAOYSA-N 0 0 237.302 4.035 10 0 BIAERN Cc1cc2nc(Cc3ccccc3)oc2cc1C ZINC000073638725 178302447 /nfs/dbraw/zinc/30/24/47/178302447.db2.gz XKZJMTRLPWCDEO-UHFFFAOYSA-N 0 0 237.302 4.035 10 0 BIAERN Cc1ccc2nc(Cc3ccccc3)oc2c1C ZINC000073638738 384029139 /nfs/dbraw/zinc/02/91/39/384029139.db2.gz COLOGAGLLOZNLF-UHFFFAOYSA-N 0 0 237.302 4.035 10 0 BIAERN Cc1cccc2sc(Cc3ccccc3)nc21 ZINC000073638819 179234206 /nfs/dbraw/zinc/23/42/06/179234206.db2.gz OMFHNMAENBEZFC-UHFFFAOYSA-N 0 0 239.343 4.196 10 0 BIAERN Cc1ccc2nc(-c3cccc(Cl)c3)oc2c1 ZINC000073639027 384027656 /nfs/dbraw/zinc/02/76/56/384027656.db2.gz AGOWEGGKTUCTFZ-UHFFFAOYSA-N 0 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ZINC000073639598 179238172 /nfs/dbraw/zinc/23/81/72/179238172.db2.gz WKGVNRBVQHRKHT-UHFFFAOYSA-N 0 0 223.275 4.112 10 0 BIAERN Cc1ccc2nc(-c3cc(C)cc(C)c3)oc2c1 ZINC000073639600 384029500 /nfs/dbraw/zinc/02/95/00/384029500.db2.gz MMZYXZSTHVVZCA-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN Cc1ccc2nc(-c3ccccc3C)oc2c1C ZINC000073639607 179237880 /nfs/dbraw/zinc/23/78/80/179237880.db2.gz TUKDSKKMICDULQ-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN Cc1ccccc1-c1nc2cc(C)c(C)cc2o1 ZINC000073639617 178300442 /nfs/dbraw/zinc/30/04/42/178300442.db2.gz XYXVUBNCRGYLIY-UHFFFAOYSA-N 0 0 237.302 4.420 10 0 BIAERN CCc1ccc2oc(-c3ccccc3C)nc2c1 ZINC000073639658 384027501 /nfs/dbraw/zinc/02/75/01/384027501.db2.gz OCNJUIOMDJJTLY-UHFFFAOYSA-N 0 0 237.302 4.366 10 0 BIAERN Cc1cc2[nH]c(-c3ccccc3)nc2cc1Cl ZINC000073639781 384026873 /nfs/dbraw/zinc/02/68/73/384026873.db2.gz VNIHFIWDUVTTIN-UHFFFAOYSA-N 0 0 242.709 4.192 10 0 BIAERN C[C@H](Nc1ccccc1)c1c[nH]c2ccccc21 ZINC000073733910 176936555 /nfs/dbraw/zinc/93/65/55/176936555.db2.gz GFSVVVHMKOVSOL-LBPRGKRZSA-N 0 0 236.318 4.341 10 0 BIAERN CCc1sc(=S)[nH]c1C1CCCCC1 ZINC000075420818 172129133 /nfs/dbraw/zinc/12/91/33/172129133.db2.gz WJYVYEBLUXWEHK-UHFFFAOYSA-N 0 0 227.398 4.042 10 0 BIAERN Cc1nc(-c2ccccc2)c(-c2ccccc2)n1C ZINC000075838667 388575925 /nfs/dbraw/zinc/57/59/25/388575925.db2.gz BTSDBXHMQFVTNJ-UHFFFAOYSA-N 0 0 248.329 4.063 10 0 BIAERN CC(C)c1nc(-c2c(F)cccc2F)cs1 ZINC000075839049 187278560 /nfs/dbraw/zinc/27/85/60/187278560.db2.gz IMJVAXJVWKFHKT-UHFFFAOYSA-N 0 0 239.290 4.212 10 0 BIAERN Fc1cccc(Br)c1C1CCCC1 ZINC000075840487 387151747 /nfs/dbraw/zinc/15/17/47/387151747.db2.gz MZVFBZYWLWEJGU-UHFFFAOYSA-N 0 0 243.119 4.246 10 0 BIAERN c1cc2c(cc1C1CCCCC1)CCCN2 ZINC000075841197 183366863 /nfs/dbraw/zinc/36/68/63/183366863.db2.gz NNTMIXMYMJEENO-UHFFFAOYSA-N 0 0 215.340 4.092 10 0 BIAERN CC(C)(C)c1csc(C2CCCCC2)n1 ZINC000075841325 188289155 /nfs/dbraw/zinc/28/91/55/188289155.db2.gz XSHHTIPPJDOVNT-UHFFFAOYSA-N 0 0 223.385 4.488 10 0 BIAERN C[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000075841769 176023638 /nfs/dbraw/zinc/02/36/38/176023638.db2.gz OMWUABDOXSZJHX-NSHDSACASA-N 0 0 216.711 4.492 10 0 BIAERN C[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000075841770 188133174 /nfs/dbraw/zinc/13/31/74/188133174.db2.gz OMWUABDOXSZJHX-LLVKDONJSA-N 0 0 216.711 4.492 10 0 BIAERN Cc1ccc(C)c([C@@H](C)c2ccccc2)c1 ZINC000075842432 178495723 /nfs/dbraw/zinc/49/57/23/178495723.db2.gz FRAOOIFTSMORED-AWEZNQCLSA-N 0 0 210.320 4.455 10 0 BIAERN Cc1ccc([C@@H](C)c2ccccc2)c(C)c1 ZINC000075842435 384342420 /nfs/dbraw/zinc/34/24/20/384342420.db2.gz JOUBGGHXBLOLFY-AWEZNQCLSA-N 0 0 210.320 4.455 10 0 BIAERN Cc1ccc([C@H](C)c2ccccc2)c(C)c1 ZINC000075842438 178900840 /nfs/dbraw/zinc/90/08/40/178900840.db2.gz JOUBGGHXBLOLFY-CQSZACIVSA-N 0 0 210.320 4.455 10 0 BIAERN CCc1ccccc1[C@@H](C)c1ccccc1 ZINC000075842450 171892720 /nfs/dbraw/zinc/89/27/20/171892720.db2.gz SCKLXKXVABYWRC-ZDUSSCGKSA-N 0 0 210.320 4.401 10 0 BIAERN CCc1ccccc1[C@H](C)c1ccccc1 ZINC000075842452 384341886 /nfs/dbraw/zinc/34/18/86/384341886.db2.gz SCKLXKXVABYWRC-CYBMUJFWSA-N 0 0 210.320 4.401 10 0 BIAERN Cc1cccc([C@@H](C)c2ccccc2)c1C ZINC000075842458 188133195 /nfs/dbraw/zinc/13/31/95/188133195.db2.gz GNPWYHFXSMINJQ-AWEZNQCLSA-N 0 0 210.320 4.455 10 0 BIAERN CC(C)(C)C(=O)c1cccc(C(F)(F)F)c1F ZINC000075854797 166537063 /nfs/dbraw/zinc/53/70/63/166537063.db2.gz WVFUFBHZGMAXOK-UHFFFAOYSA-N 0 0 248.219 4.073 10 0 BIAERN Cc1cc2c(s1)c(Br)ccc2F ZINC000075926972 178278336 /nfs/dbraw/zinc/27/83/36/178278336.db2.gz QQQMBKYFULFSPA-UHFFFAOYSA-N 0 0 245.116 4.111 10 0 BIAERN Cc1cc2c(ccc(Br)c2F)s1 ZINC000075926975 178278610 /nfs/dbraw/zinc/27/86/10/178278610.db2.gz UMJZMGLPPMHRGZ-UHFFFAOYSA-N 0 0 245.116 4.111 10 0 BIAERN Clc1ccc(CCCNc2ccccc2)cc1 ZINC000076287477 180579018 /nfs/dbraw/zinc/57/90/18/180579018.db2.gz LNPMOXSRAMGVBD-UHFFFAOYSA-N 0 0 245.753 4.385 10 0 BIAERN COc1cccc(NC2CCC(C)(C)CC2)c1 ZINC000076680274 175278056 /nfs/dbraw/zinc/27/80/56/175278056.db2.gz JECGZAQGHLTFJZ-UHFFFAOYSA-N 0 0 233.355 4.076 10 0 BIAERN COc1ccc(NC2CCC(C)(C)CC2)cc1 ZINC000076680276 175149871 /nfs/dbraw/zinc/14/98/71/175149871.db2.gz HMDIVLXXXOFURS-UHFFFAOYSA-N 0 0 233.355 4.076 10 0 BIAERN Cc1cc2c(cc1C)NC1(CCC(C)CC1)CN2 ZINC000076861155 178285512 /nfs/dbraw/zinc/28/55/12/178285512.db2.gz VFSOQJUYZGKTJN-UHFFFAOYSA-N 0 0 244.382 4.090 10 0 BIAERN Cc1cc2c(cc1C)NC1(CN2)CCCCCC1 ZINC000076861172 178285045 /nfs/dbraw/zinc/28/50/45/178285045.db2.gz NPBUGEBLIYNJEN-UHFFFAOYSA-N 0 0 244.382 4.234 10 0 BIAERN CCCCC1CCC(c2csc(N)n2)CC1 ZINC000077253884 168632655 /nfs/dbraw/zinc/63/26/55/168632655.db2.gz GLCNDIWHFHHKKJ-UHFFFAOYSA-N 0 0 238.400 4.189 10 0 BIAERN CC(C)c1cc(Cl)nc2ccccc21 ZINC000077255193 384902337 /nfs/dbraw/zinc/90/23/37/384902337.db2.gz NJKNPEHTSYWZJZ-UHFFFAOYSA-N 0 0 205.688 4.012 10 0 BIAERN CC(C)c1ccnc2ccc(Cl)cc21 ZINC000077255212 187360029 /nfs/dbraw/zinc/36/00/29/187360029.db2.gz KYZILHMLZDFZLB-UHFFFAOYSA-N 0 0 205.688 4.012 10 0 BIAERN C=CC1=C([C@@H](C)c2ccccn2)c2ccccc2C1 ZINC000077286514 398308214 /nfs/dbraw/zinc/30/82/14/398308214.db2.gz ARUDWUKARQONRK-ZDUSSCGKSA-N 0 0 247.341 4.381 10 0 in-vitro BIAERN C=CC1=C([C@H](C)c2ccccn2)c2ccccc2C1 ZINC000077286518 398308187 /nfs/dbraw/zinc/30/81/87/398308187.db2.gz ARUDWUKARQONRK-CYBMUJFWSA-N 0 0 247.341 4.381 10 0 in-vitro BIAERN Cc1onc(-c2ccccc2)c1Cc1ccccc1 ZINC000077312346 386161398 /nfs/dbraw/zinc/16/13/98/386161398.db2.gz SIXLWQCEAXLZHT-UHFFFAOYSA-N 0 0 249.313 4.241 10 0 in-vitro BIAERN CCC[C@H](S)c1ccc(Cl)cc1 ZINC000078039424 643632939 /nfs/dbraw/zinc/63/29/39/643632939.db2.gz FHYHHTHJLDKFMF-JTQLQIEISA-N 0 0 200.734 4.111 10 0 BIAERN CCC[C@@H](S)c1ccc(Cl)cc1 ZINC000078039426 643270612 /nfs/dbraw/zinc/27/06/12/643270612.db2.gz FHYHHTHJLDKFMF-SNVBAGLBSA-N 0 0 200.734 4.111 10 0 BIAERN Cc1ccc(-c2ccccc2)c(Cl)c1 ZINC000078100796 368311711 /nfs/dbraw/zinc/31/17/11/368311711.db2.gz DGKCCWKKKJIEHA-UHFFFAOYSA-N 0 0 202.684 4.315 10 0 BIAERN CC(C)(C)c1nc(C2CCCCC2)co1 ZINC000078140390 368315688 /nfs/dbraw/zinc/31/56/88/368315688.db2.gz DJYHKSIGWZYGHW-UHFFFAOYSA-N 0 0 207.317 4.020 10 0 BIAERN FC(F)(F)C(=Cc1ccccc1)C(F)(F)F ZINC000078193487 368337226 /nfs/dbraw/zinc/33/72/26/368337226.db2.gz CLMJLXXZFCOQRB-UHFFFAOYSA-N 0 0 240.146 4.195 10 0 BIAERN Cc1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1 ZINC000078811175 178338689 /nfs/dbraw/zinc/33/86/89/178338689.db2.gz GCZYAOLZXWQZTF-UHFFFAOYSA-N 0 0 234.302 4.052 10 0 BIAERN CC(=O)C(c1ccc(C)cc1)c1ccc(C)cc1 ZINC000078973935 187281441 /nfs/dbraw/zinc/28/14/41/187281441.db2.gz JPSZHJGDZGCIPT-UHFFFAOYSA-N 0 0 238.330 4.024 10 0 BIAERN Cc1ccc(-c2ccccc2Cl)cc1 ZINC000079160233 178326887 /nfs/dbraw/zinc/32/68/87/178326887.db2.gz LZQKARVGXYAKEN-UHFFFAOYSA-N 0 0 202.684 4.315 10 0 BIAERN Cc1ccc(Cl)c(Oc2ccccc2)c1 ZINC000079647168 363417168 /nfs/dbraw/zinc/41/71/68/363417168.db2.gz GURVMPKVXURGHI-UHFFFAOYSA-N 0 0 218.683 4.441 10 0 BIAERN FC(F)(F)Cc1cc(Cl)cc(Cl)c1 ZINC000079709433 363562468 /nfs/dbraw/zinc/56/24/68/363562468.db2.gz JAXNJFXQFIDDJC-UHFFFAOYSA-N 0 0 229.028 4.098 10 0 BIAERN Cc1ccc(-c2cccc(Cl)c2)cc1 ZINC000079924961 178326430 /nfs/dbraw/zinc/32/64/30/178326430.db2.gz WAEKCHUPDOGQJY-UHFFFAOYSA-N 0 0 202.684 4.315 10 0 BIAERN CC(C)C(=O)c1ccc(Cc2ccccc2)cc1 ZINC000080180086 344401516 /nfs/dbraw/zinc/40/15/16/344401516.db2.gz HEKGMQFCUZTJEJ-UHFFFAOYSA-N 0 0 238.330 4.116 10 0 BIAERN CCCOC(OCCC)c1cccc(Cl)c1 ZINC000080182927 169301466 /nfs/dbraw/zinc/30/14/66/169301466.db2.gz BJZIOQCPKOYFGK-UHFFFAOYSA-N 0 0 242.746 4.192 10 0 BIAERN CC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000080521510 368513357 /nfs/dbraw/zinc/51/33/57/368513357.db2.gz LQFRWKSFMWDZSZ-MRVPVSSYSA-N 0 0 202.219 4.219 10 0 BIAERN CC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000080521513 368513746 /nfs/dbraw/zinc/51/37/46/368513746.db2.gz LQFRWKSFMWDZSZ-QMMMGPOBSA-N 0 0 202.219 4.219 10 0 BIAERN COc1ccccc1CCC1CCCCC1 ZINC000080816687 345751125 /nfs/dbraw/zinc/75/11/25/345751125.db2.gz GAYKTXAUJZZLSA-UHFFFAOYSA-N 0 0 218.340 4.208 10 0 BIAERN Fc1cccc(-c2ccc(F)c(Cl)c2)c1 ZINC000080850380 538115746 /nfs/dbraw/zinc/11/57/46/538115746.db2.gz IKGWOKVZEURNGP-UHFFFAOYSA-N 0 0 224.637 4.285 10 0 BIAERN COc1ccc(CCCCc2ccccc2)cc1 ZINC000080917424 368558384 /nfs/dbraw/zinc/55/83/84/368558384.db2.gz BXCORTZDKRERAI-UHFFFAOYSA-N 0 0 240.346 4.261 10 0 BIAERN c1ccc(-c2ccccc2-c2ccncc2)cc1 ZINC000081137509 368577221 /nfs/dbraw/zinc/57/72/21/368577221.db2.gz HVLZILGSPAEJOR-UHFFFAOYSA-N 0 0 231.298 4.416 10 0 BIAERN Clc1cc(Cl)nc(-c2ccccc2)c1 ZINC000082019925 361073322 /nfs/dbraw/zinc/07/33/22/361073322.db2.gz CROSNSRFLFALSV-UHFFFAOYSA-N 0 0 224.090 4.055 10 0 BIAERN Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000082166167 178324386 /nfs/dbraw/zinc/32/43/86/178324386.db2.gz XYOKCUNCQZYSPK-UHFFFAOYSA-N 0 0 202.684 4.315 10 0 BIAERN O=Cc1c(Cl)sc2ccc(Cl)cc12 ZINC000082321966 182858976 /nfs/dbraw/zinc/85/89/76/182858976.db2.gz RBMKGPGPOYGMBH-UHFFFAOYSA-N 0 0 231.103 4.021 10 0 BIAERN CCc1oc2cccc(Br)c2c1C ZINC000082328848 172112908 /nfs/dbraw/zinc/11/29/08/172112908.db2.gz DCUIZAGMFHNTBN-UHFFFAOYSA-N 0 0 239.112 4.066 10 0 BIAERN Brc1cccc2occ(C3CC3)c21 ZINC000082330750 166101958 /nfs/dbraw/zinc/10/19/58/166101958.db2.gz MBZTVUCDCSFPCG-UHFFFAOYSA-N 0 0 237.096 4.073 10 0 BIAERN CCC(CC)c1csc(Br)c1 ZINC000082343722 168410542 /nfs/dbraw/zinc/41/05/42/168410542.db2.gz OYEWNNJDZXKJJU-UHFFFAOYSA-N 0 0 233.174 4.414 10 0 BIAERN CCC(CC)c1ccc(Br)s1 ZINC000082343726 168410944 /nfs/dbraw/zinc/41/09/44/168410944.db2.gz OLJKQEJJMOTVEP-UHFFFAOYSA-N 0 0 233.174 4.414 10 0 BIAERN Brc1cscc1C1CCCC1 ZINC000082346358 166105749 /nfs/dbraw/zinc/10/57/49/166105749.db2.gz RWRQVSJSQBGRGQ-UHFFFAOYSA-N 0 0 231.158 4.168 10 0 BIAERN Brc1csc(C2CCCC2)c1 ZINC000082346359 166106960 /nfs/dbraw/zinc/10/69/60/166106960.db2.gz XZLQUCSXEXEYRE-UHFFFAOYSA-N 0 0 231.158 4.168 10 0 BIAERN O=Cc1sc2ccc(Cl)cc2c1Cl ZINC000082346389 384669254 /nfs/dbraw/zinc/66/92/54/384669254.db2.gz YPDUJMDLEOSCHO-UHFFFAOYSA-N 0 0 231.103 4.021 10 0 BIAERN Brc1cocc1C1CCCCC1 ZINC000082349588 166106464 /nfs/dbraw/zinc/10/64/64/166106464.db2.gz CDIKLWYACKJFEK-UHFFFAOYSA-N 0 0 229.117 4.090 10 0 BIAERN Brc1ccoc1C1CCCCC1 ZINC000082349590 166103529 /nfs/dbraw/zinc/10/35/29/166103529.db2.gz GZSXDCQEDDPSAN-UHFFFAOYSA-N 0 0 229.117 4.090 10 0 BIAERN CCc1cccc(CC)c1NCCC(C)C ZINC000082441666 187967262 /nfs/dbraw/zinc/96/72/62/187967262.db2.gz MSFSNPUREWRZHQ-UHFFFAOYSA-N 0 0 219.372 4.269 10 0 BIAERN CC1CCC(c2nc(Cl)cc(Cl)n2)CC1 ZINC000082473716 168169655 /nfs/dbraw/zinc/16/96/55/168169655.db2.gz MXSTWRITMWAFJR-UHFFFAOYSA-N 0 0 245.153 4.077 10 0 BIAERN Cc1cc(C)c(-c2ccc(C=O)s2)cc1C ZINC000082542578 643339945 /nfs/dbraw/zinc/33/99/45/643339945.db2.gz LOMNUBUNQDPASF-UHFFFAOYSA-N 0 0 230.332 4.153 10 0 BIAERN CCC(=O)CCc1ccc(-c2ccccc2)cc1 ZINC000082549245 168204095 /nfs/dbraw/zinc/20/40/95/168204095.db2.gz VBWSCRFYOUHISV-UHFFFAOYSA-N 0 0 238.330 4.265 10 0 BIAERN O=Cc1ccc(-c2ccc3c(c2)CCCC3)s1 ZINC000082550581 643341574 /nfs/dbraw/zinc/34/15/74/643341574.db2.gz QUWLWOBBICRCMI-UHFFFAOYSA-N 0 0 242.343 4.106 10 0 BIAERN CC(C)Oc1ccc(-c2ccc(C=O)s2)cc1 ZINC000082553097 643341499 /nfs/dbraw/zinc/34/14/99/643341499.db2.gz NYUYYOPEJQHCKE-UHFFFAOYSA-N 0 0 246.331 4.015 10 0 BIAERN CC[C@@H](C)C(=O)c1ccc2ccccc2c1 ZINC000082561402 368693479 /nfs/dbraw/zinc/69/34/79/368693479.db2.gz HEMUHXVZXGLBLY-LLVKDONJSA-N 0 0 212.292 4.069 10 0 BIAERN CC[C@H](C)C(=O)c1ccc2ccccc2c1 ZINC000082561403 368694102 /nfs/dbraw/zinc/69/41/02/368694102.db2.gz HEMUHXVZXGLBLY-NSHDSACASA-N 0 0 212.292 4.069 10 0 BIAERN CC(C)Nc1ccc(SC(C)C)cc1 ZINC000082595011 167147200 /nfs/dbraw/zinc/14/72/00/167147200.db2.gz NNULGOKWJMMTGL-UHFFFAOYSA-N 0 0 209.358 4.007 10 0 BIAERN Cc1cc(C(C)(C)C)ccc1Br ZINC000082600409 188176963 /nfs/dbraw/zinc/17/69/63/188176963.db2.gz OUAZXYDMCXFJKW-UHFFFAOYSA-N 0 0 227.145 4.055 10 0 BIAERN Clc1cccc(Oc2ccnc(Cl)c2)c1 ZINC000082605549 368698987 /nfs/dbraw/zinc/69/89/87/368698987.db2.gz HOLOBHYIBLEANY-UHFFFAOYSA-N 0 0 240.089 4.181 10 0 BIAERN CCSc1ccc(C(=O)C2CCCC2)cc1 ZINC000082606079 170654604 /nfs/dbraw/zinc/65/46/04/170654604.db2.gz DEDLDICUQVBMLF-UHFFFAOYSA-N 0 0 234.364 4.172 10 0 BIAERN CC(=O)c1ccc(F)c(-c2ccc(C)cc2)c1 ZINC000082708663 166460973 /nfs/dbraw/zinc/46/09/73/166460973.db2.gz DTUVFSDAZODKOX-UHFFFAOYSA-N 0 0 228.266 4.004 10 0 BIAERN CC(=O)Cc1ccc(-c2ccc(C)c(C)c2)cc1 ZINC000082708744 188139127 /nfs/dbraw/zinc/13/91/27/188139127.db2.gz NACDVHRSZXSXRS-UHFFFAOYSA-N 0 0 238.330 4.102 10 0 BIAERN CC(=O)Cc1ccc(-c2ccccc2Cl)cc1 ZINC000082708797 187795200 /nfs/dbraw/zinc/79/52/00/187795200.db2.gz MDFDPECPYMONBS-UHFFFAOYSA-N 0 0 244.721 4.139 10 0 BIAERN CC(=O)c1ccc(F)c(-c2cccc(Cl)c2)c1 ZINC000082708808 166459979 /nfs/dbraw/zinc/45/99/79/166459979.db2.gz DDFOWPNYVROWEG-UHFFFAOYSA-N 0 0 248.684 4.349 10 0 BIAERN CC(=O)c1cccc(-c2ccc3ncccc3c2)c1 ZINC000082709045 166471038 /nfs/dbraw/zinc/47/10/38/166471038.db2.gz TVQBZGQZSZSLKW-UHFFFAOYSA-N 0 0 247.297 4.104 10 0 BIAERN Cc1cccc(C)c1NC1CCCCC1 ZINC000082711197 179043054 /nfs/dbraw/zinc/04/30/54/179043054.db2.gz KRSFXEFDCHRQLP-UHFFFAOYSA-N 0 0 203.329 4.048 10 0 BIAERN Cc1cc(C(=O)C2CCCCC2)ccc1Cl ZINC000082722048 177731577 /nfs/dbraw/zinc/73/15/77/177731577.db2.gz ZUISOUKEANZJAF-UHFFFAOYSA-N 0 0 236.742 4.411 10 0 BIAERN Cc1cccc2sc(NC3CCCCC3)nc21 ZINC000082727242 179233836 /nfs/dbraw/zinc/23/38/36/179233836.db2.gz AQKAHMDDPLYPOX-UHFFFAOYSA-N 0 0 246.379 4.349 10 0 BIAERN CC(C)c1ccc2ccnc(Cl)c2c1 ZINC000082766582 537913981 /nfs/dbraw/zinc/91/39/81/537913981.db2.gz YAPGBWDGBOMYNT-UHFFFAOYSA-N 0 0 205.688 4.012 10 0 BIAERN CC(C)(C)c1ccc2ccnc(Cl)c2c1 ZINC000082766591 537914048 /nfs/dbraw/zinc/91/40/48/537914048.db2.gz OSKKMGYCDIIHOJ-UHFFFAOYSA-N 0 0 219.715 4.186 10 0 BIAERN Cc1cc(C)c2c(Cl)cc(Cl)cc2n1 ZINC000082788339 177878708 /nfs/dbraw/zinc/87/87/08/177878708.db2.gz SKUZOZDHZTWPMP-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN Cc1cc(C)c2nc(Cl)cc(Cl)c2c1 ZINC000082788798 388130538 /nfs/dbraw/zinc/13/05/38/388130538.db2.gz DQJVWAPOUUIIOP-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN CCc1cccc2c(Cl)cc(Cl)nc12 ZINC000082788801 171867955 /nfs/dbraw/zinc/86/79/55/171867955.db2.gz MUFNIYVVSIOYAJ-UHFFFAOYSA-N 0 0 226.106 4.104 10 0 BIAERN Cc1cc(Cl)c(C(=O)c2ccccc2)cc1C ZINC000083165593 178060356 /nfs/dbraw/zinc/06/03/56/178060356.db2.gz VMGXEXPLPAHDAY-UHFFFAOYSA-N 0 0 244.721 4.188 10 0 BIAERN CC(=O)O/C(C)=C/C=C1/C(C)=CCCC1(C)C ZINC000083260952 398280105 /nfs/dbraw/zinc/28/01/05/398280105.db2.gz GNXFMTBIUUZXCR-DRIRWXSCSA-N 0 0 234.339 4.146 10 0 BIAERN CCCC/C=C\C(Cl)(Cl)C(F)(F)F ZINC000083316527 384757768 /nfs/dbraw/zinc/75/77/68/384757768.db2.gz WJOURPVKVDQPRH-WAYWQWQTSA-N 0 0 235.076 4.469 10 0 BIAERN CCC(CC)CNc1c(C)cccc1C ZINC000083344525 168365022 /nfs/dbraw/zinc/36/50/22/168365022.db2.gz VAPPAJUWWUVYID-UHFFFAOYSA-N 0 0 205.345 4.152 10 0 BIAERN Cc1cc(NCCC(C)C)ccc1Cl ZINC000083346824 178158630 /nfs/dbraw/zinc/15/86/30/178158630.db2.gz HBSWEDPYSOJMIA-UHFFFAOYSA-N 0 0 211.736 4.106 10 0 BIAERN Cc1cc(Cl)cc(C)c1NCC(C)C ZINC000083346825 178063454 /nfs/dbraw/zinc/06/34/54/178063454.db2.gz ZFPQFWWQDNIGHQ-UHFFFAOYSA-N 0 0 211.736 4.025 10 0 BIAERN Cc1ccc(Cl)c(C)c1NCC(C)C ZINC000083346826 187318872 /nfs/dbraw/zinc/31/88/72/187318872.db2.gz NSTJTLYTHRKDDR-UHFFFAOYSA-N 0 0 211.736 4.025 10 0 BIAERN CCC[C@@H](C)CNc1c(F)cccc1Cl ZINC000083357081 169360893 /nfs/dbraw/zinc/36/08/93/169360893.db2.gz FBBQKFIDNWMGSD-SECBINFHSA-N 0 0 229.726 4.327 10 0 BIAERN CCC(CC)CNc1c(F)cccc1Cl ZINC000083357084 168365165 /nfs/dbraw/zinc/36/51/65/168365165.db2.gz PAQGRVKLPKCWNX-UHFFFAOYSA-N 0 0 229.726 4.327 10 0 BIAERN CCC(CC)CNc1nc2ccccc2s1 ZINC000083361636 168366025 /nfs/dbraw/zinc/36/60/25/168366025.db2.gz NZAOAUJBNLLPKH-UHFFFAOYSA-N 0 0 234.368 4.144 10 0 BIAERN Cc1cccc2sc(NCCC(C)C)nc21 ZINC000083361637 179234238 /nfs/dbraw/zinc/23/42/38/179234238.db2.gz VDOOLJRRCYWCNQ-UHFFFAOYSA-N 0 0 234.368 4.063 10 0 BIAERN Cc1ccccc1NCc1ccc2cc[nH]c2c1 ZINC000083363851 179306134 /nfs/dbraw/zinc/30/61/34/179306134.db2.gz QHPMHYVNUZWRBT-UHFFFAOYSA-N 0 0 236.318 4.088 10 0 BIAERN Cc1cccc(NCc2ccc3[nH]ccc3c2)c1 ZINC000083363856 179150044 /nfs/dbraw/zinc/15/00/44/179150044.db2.gz RUGNLLRTOSTJGQ-UHFFFAOYSA-N 0 0 236.318 4.088 10 0 BIAERN Cc1cccc(NCc2ccc3cc[nH]c3c2)c1 ZINC000083363857 179149851 /nfs/dbraw/zinc/14/98/51/179149851.db2.gz XLNDBMGDWZBKPD-UHFFFAOYSA-N 0 0 236.318 4.088 10 0 BIAERN Cc1ccc(NC/C=C/c2ccccc2)c(C)c1 ZINC000083365165 187284908 /nfs/dbraw/zinc/28/49/08/187284908.db2.gz QVTVHHHXPWPYHE-RMKNXTFCSA-N 0 0 237.346 4.429 10 0 BIAERN Cc1cc(NCC2CCCCC2)cnc1Cl ZINC000083366579 178158261 /nfs/dbraw/zinc/15/82/61/178158261.db2.gz HMFBMMKNRJIORP-UHFFFAOYSA-N 0 0 238.762 4.036 10 0 BIAERN CC(C)CNc1nc2ccc(Cl)cc2s1 ZINC000083368912 167019365 /nfs/dbraw/zinc/01/93/65/167019365.db2.gz TUANLNZYVKTXHB-UHFFFAOYSA-N 0 0 240.759 4.018 10 0 BIAERN Fc1ccc(Cl)c(NCC2CCCCC2)c1 ZINC000083369980 180973034 /nfs/dbraw/zinc/97/30/34/180973034.db2.gz UBWSTHUIKHATGW-UHFFFAOYSA-N 0 0 241.737 4.471 10 0 BIAERN CCC[C@@H](C)CNc1ccc(Cl)c(OC)c1 ZINC000083369996 169360601 /nfs/dbraw/zinc/36/06/01/169360601.db2.gz DJTWKXOZQHVOQG-SNVBAGLBSA-N 0 0 241.762 4.197 10 0 BIAERN COc1cc(NCCC(C)(C)C)ccc1Cl ZINC000083369998 175001309 /nfs/dbraw/zinc/00/13/09/175001309.db2.gz WXVGJYOQTGWBJA-UHFFFAOYSA-N 0 0 241.762 4.197 10 0 BIAERN CCC(CC)CNc1ccc(Cl)c(OC)c1 ZINC000083369999 168365194 /nfs/dbraw/zinc/36/51/94/168365194.db2.gz XMEDHCIDRLXVCQ-UHFFFAOYSA-N 0 0 241.762 4.197 10 0 BIAERN Cc1cccc(C)c1NCc1ccc(F)cc1C ZINC000083371832 178087219 /nfs/dbraw/zinc/08/72/19/178087219.db2.gz NCQKJXNZUFCQSU-UHFFFAOYSA-N 0 0 243.325 4.363 10 0 BIAERN Cc1cccc(C)c1CNc1c(F)cccc1F ZINC000083376834 179038845 /nfs/dbraw/zinc/03/88/45/179038845.db2.gz IRINRWBTNNLWIY-UHFFFAOYSA-N 0 0 247.288 4.194 10 0 BIAERN Cc1cccc2sc(NCCC(C)(C)C)nc21 ZINC000083379667 179233965 /nfs/dbraw/zinc/23/39/65/179233965.db2.gz LVSYBMJFQFTTAP-UHFFFAOYSA-N 0 0 248.395 4.453 10 0 BIAERN CCC(CC)CNc1nc2c(cccc2C)s1 ZINC000083379668 168365641 /nfs/dbraw/zinc/36/56/41/168365641.db2.gz CYUIMMWYDDPLHZ-UHFFFAOYSA-N 0 0 248.395 4.453 10 0 BIAERN Cc1ccc2nc(NCCC(C)(C)C)sc2c1 ZINC000083379671 178978932 /nfs/dbraw/zinc/97/89/32/178978932.db2.gz RXIZSVWENBFIMM-UHFFFAOYSA-N 0 0 248.395 4.453 10 0 BIAERN CCC(CC)CNc1nc2ccc(C)cc2s1 ZINC000083379672 168366715 /nfs/dbraw/zinc/36/67/15/168366715.db2.gz ZXMWGEUNGZSIAP-UHFFFAOYSA-N 0 0 248.395 4.453 10 0 BIAERN Fc1cccc(Cl)c1NCCc1ccccc1 ZINC000083381953 180998940 /nfs/dbraw/zinc/99/89/40/180998940.db2.gz YKAMTBLDSPYTDX-UHFFFAOYSA-N 0 0 249.716 4.134 10 0 BIAERN Cc1ccccc1CNc1c(F)cccc1Cl ZINC000083381954 179283819 /nfs/dbraw/zinc/28/38/19/179283819.db2.gz MFYNLUTYESRTCY-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN Cc1cccc(CNc2c(F)cccc2Cl)c1 ZINC000083381955 179102183 /nfs/dbraw/zinc/10/21/83/179102183.db2.gz FOLAIMRDKZTBDW-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN Fc1ccc(Cl)c(NCCc2ccccc2)c1 ZINC000083381957 180973116 /nfs/dbraw/zinc/97/31/16/180973116.db2.gz PHZIFGKZDOYUHT-UHFFFAOYSA-N 0 0 249.716 4.134 10 0 BIAERN CC(/C=C\C1=C(C)CCCC1(C)C)=C/CO ZINC000083428559 168074639 /nfs/dbraw/zinc/07/46/39/168074639.db2.gz VSMDCVLKAAVJFW-JNWHFCKMSA-N 0 0 220.356 4.008 10 0 BIAERN CC(=C\CO)/C=C\C1=C(C)CCCC1(C)C ZINC000083428560 168074621 /nfs/dbraw/zinc/07/46/21/168074621.db2.gz VSMDCVLKAAVJFW-HVTAIUIQSA-N 0 0 220.356 4.008 10 0 BIAERN CCCC(=O)c1cc2cc(Cl)ccc2o1 ZINC000083815144 538524200 /nfs/dbraw/zinc/52/42/00/538524200.db2.gz YFEZJYVQHHINPR-UHFFFAOYSA-N 0 0 222.671 4.069 10 0 BIAERN CCCC(=O)c1cc2cccc(Cl)c2o1 ZINC000083815158 538524794 /nfs/dbraw/zinc/52/47/94/538524794.db2.gz DAQVAMWQGYUUKP-UHFFFAOYSA-N 0 0 222.671 4.069 10 0 BIAERN CC(C)(C)C(=O)c1cc2cccc(Cl)c2o1 ZINC000083815159 538111824 /nfs/dbraw/zinc/11/18/24/538111824.db2.gz NZWKSYMCXGRQQL-UHFFFAOYSA-N 0 0 236.698 4.315 10 0 BIAERN CCCC(=O)c1cc2cc(Cl)cc(C)c2o1 ZINC000083815180 538111806 /nfs/dbraw/zinc/11/18/06/538111806.db2.gz OGKRBEMATVKGFE-UHFFFAOYSA-N 0 0 236.698 4.377 10 0 BIAERN Cc1cc(Cl)cc2cc(C(=O)C(C)C)oc21 ZINC000083815182 538523807 /nfs/dbraw/zinc/52/38/07/538523807.db2.gz ZIKWGTCVIYIVMU-UHFFFAOYSA-N 0 0 236.698 4.233 10 0 BIAERN CNc1ccc(-c2cccc(Cl)c2)cc1 ZINC000084010172 538525422 /nfs/dbraw/zinc/52/54/22/538525422.db2.gz SBQGWUPSNFUNFX-UHFFFAOYSA-N 0 0 217.699 4.049 10 0 BIAERN CNc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000084010175 538526055 /nfs/dbraw/zinc/52/60/55/538526055.db2.gz UIPQUIQXMQKOQS-UHFFFAOYSA-N 0 0 217.699 4.049 10 0 BIAERN Cc1cc(C)c(-c2ccc(C=O)cc2)cc1C ZINC000084015661 644416390 /nfs/dbraw/zinc/41/63/90/644416390.db2.gz IVYRNWDOLGYWBG-UHFFFAOYSA-N 0 0 224.303 4.091 10 0 BIAERN Cc1cc(C)c(-c2cccc(C=O)c2)cc1C ZINC000084015663 644414434 /nfs/dbraw/zinc/41/44/34/644414434.db2.gz ICCZNSAHTSQIBR-UHFFFAOYSA-N 0 0 224.303 4.091 10 0 BIAERN Clc1cccc(-c2ccccc2Cl)n1 ZINC000084025442 384828040 /nfs/dbraw/zinc/82/80/40/384828040.db2.gz VOHVZQSTKSYKQX-UHFFFAOYSA-N 0 0 224.090 4.055 10 0 BIAERN Cc1cccc(Cl)c1-c1cccc(F)c1 ZINC000084193743 179108575 /nfs/dbraw/zinc/10/85/75/179108575.db2.gz CCYPYZYMOVOENN-UHFFFAOYSA-N 0 0 220.674 4.455 10 0 BIAERN Cc1cccc(Cl)c1-c1ccc(F)cc1 ZINC000084193745 179108331 /nfs/dbraw/zinc/10/83/31/179108331.db2.gz CJUSADQQLNAHJM-UHFFFAOYSA-N 0 0 220.674 4.455 10 0 BIAERN Cc1cccc(Cl)c1-c1ccccc1 ZINC000084193746 179107905 /nfs/dbraw/zinc/10/79/05/179107905.db2.gz KUTMBWYMYCCRNY-UHFFFAOYSA-N 0 0 202.684 4.315 10 0 BIAERN Cc1ccc(C[C@@H](C)c2ccccc2)cc1 ZINC000084403467 178646879 /nfs/dbraw/zinc/64/68/79/178646879.db2.gz FGENDPZUDMGZES-CQSZACIVSA-N 0 0 210.320 4.341 10 0 BIAERN Cc1ccc(C[C@H](C)c2ccccc2)cc1 ZINC000084403468 384865925 /nfs/dbraw/zinc/86/59/25/384865925.db2.gz FGENDPZUDMGZES-AWEZNQCLSA-N 0 0 210.320 4.341 10 0 BIAERN Cc1c(Cl)c2ccccc2nc1C(F)(F)F ZINC000084718425 384891075 /nfs/dbraw/zinc/89/10/75/384891075.db2.gz GMHAVEWYIIPDQM-UHFFFAOYSA-N 0 0 245.631 4.215 10 0 BIAERN CCCCCOc1cccc2ccccc21 ZINC000085152048 368863467 /nfs/dbraw/zinc/86/34/67/368863467.db2.gz FYLPTUZLJAZQDR-UHFFFAOYSA-N 0 0 214.308 4.409 10 0 BIAERN CC1=CC[C@](Nc2ccccc2)(C(C)C)C=C1 ZINC000085484829 168122425 /nfs/dbraw/zinc/12/24/25/168122425.db2.gz WGSQNXBEESZJCO-INIZCTEOSA-N 0 0 227.351 4.400 10 0 BIAERN CC1=CC[C@@](Nc2ccccc2)(C(C)C)C=C1 ZINC000085484830 168120423 /nfs/dbraw/zinc/12/04/23/168120423.db2.gz WGSQNXBEESZJCO-MRXNPFEDSA-N 0 0 227.351 4.400 10 0 BIAERN CCCC[C@H](C)C[C@H](C)C[C@H](C)C(=O)OC ZINC000085530807 560073380 /nfs/dbraw/zinc/07/33/80/560073380.db2.gz UKJPOLUCWGYCQO-AVGNSLFASA-N 0 0 228.376 4.038 10 0 biogenic,in-vitro BIAERN CCCC[C@@H](CC)CNc1ccsc1 ZINC000085534773 368866002 /nfs/dbraw/zinc/86/60/02/368866002.db2.gz ALRLPSCMGJWRDB-LLVKDONJSA-N 0 0 211.374 4.376 10 0 BIAERN CCCC[C@H](CC)CNc1ccsc1 ZINC000085534774 368865810 /nfs/dbraw/zinc/86/58/10/368865810.db2.gz ALRLPSCMGJWRDB-NSHDSACASA-N 0 0 211.374 4.376 10 0 BIAERN C[C@@H](c1ccc(C=O)cc1)C1CCCCC1 ZINC000085547997 290797613 /nfs/dbraw/zinc/79/76/13/290797613.db2.gz RHAACKUEPFUKFS-GFCCVEGCSA-N 0 0 216.324 4.183 10 0 biogenic,in-vitro BIAERN Cc1cc(C)c(-c2ccccc2C=O)cc1C ZINC000086492687 644142542 /nfs/dbraw/zinc/14/25/42/644142542.db2.gz AHNNASUMWHNSNU-UHFFFAOYSA-N 0 0 224.303 4.091 10 0 BIAERN COc1ccc(C(=O)C2CCCCCCC2)cc1 ZINC000086578439 368882863 /nfs/dbraw/zinc/88/28/63/368882863.db2.gz KJPHEOWUSROGQX-UHFFFAOYSA-N 0 0 246.350 4.238 10 0 BIAERN Fc1ccc(Cc2ccccc2Cl)cc1 ZINC000086860137 385053668 /nfs/dbraw/zinc/05/36/68/385053668.db2.gz OGKOCDRQJPNXBZ-UHFFFAOYSA-N 0 0 220.674 4.070 10 0 BIAERN CC(C)(C)c1ccc2c(c1)C(C)(C)CC2 ZINC000086861002 188317723 /nfs/dbraw/zinc/31/77/23/188317723.db2.gz ZGPWHILODVHWKJ-UHFFFAOYSA-N 0 0 202.341 4.208 10 0 BIAERN CCCSC(CCSC)SCCC ZINC000086862407 169335128 /nfs/dbraw/zinc/33/51/28/169335128.db2.gz KKASSCRRPOEIKF-UHFFFAOYSA-N 0 0 238.487 4.352 10 0 BIAERN Cc1nc(N[C@H](C)c2ccccc2C)sc1C ZINC000087302660 384256802 /nfs/dbraw/zinc/25/68/02/384256802.db2.gz CODSUVXNDCJYJX-LLVKDONJSA-N 0 0 246.379 4.241 10 0 BIAERN Cc1nc(N[C@@H](C)c2ccccc2C)sc1C ZINC000087302662 384257033 /nfs/dbraw/zinc/25/70/33/384257033.db2.gz CODSUVXNDCJYJX-NSHDSACASA-N 0 0 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ZINC000088123335 383881849 /nfs/dbraw/zinc/88/18/49/383881849.db2.gz BZHXWNBXAGEMKH-UHFFFAOYSA-N 0 0 238.117 4.243 10 0 BIAERN CNc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000088259939 345751921 /nfs/dbraw/zinc/75/19/21/345751921.db2.gz GVBLTIOBNROHDH-UHFFFAOYSA-N 0 0 235.371 4.029 10 0 BIAERN Nc1ccccc1-c1csc2ccccc21 ZINC000088265141 345752006 /nfs/dbraw/zinc/75/20/06/345752006.db2.gz GLIUKODODCXMLP-UHFFFAOYSA-N 0 0 225.316 4.151 10 0 BIAERN CC(C)(C)c1ccc(-c2cncc(Cl)n2)cc1 ZINC000088675080 188317963 /nfs/dbraw/zinc/31/79/63/188317963.db2.gz BAPSONZYIILSJB-UHFFFAOYSA-N 0 0 246.741 4.095 10 0 BIAERN Cc1ccc(-c2cccc3scnc32)cc1 ZINC000089195239 178326539 /nfs/dbraw/zinc/32/65/39/178326539.db2.gz GAACTGUSQIEVLX-UHFFFAOYSA-N 0 0 225.316 4.272 10 0 BIAERN c1nc2cc(Sc3ccccc3)ccc2s1 ZINC000089195256 383941689 /nfs/dbraw/zinc/94/16/89/383941689.db2.gz CPHCLEBQTNNLKW-UHFFFAOYSA-N 0 0 243.356 4.448 10 0 BIAERN OCc1ccccc1-c1ccc2sccc2c1 ZINC000089195341 191020783 /nfs/dbraw/zinc/02/07/83/191020783.db2.gz 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C(=C/c1ccc(-c2ncc[nH]2)cc1)\c1ccccc1 ZINC000089202709 166226618 /nfs/dbraw/zinc/22/66/18/166226618.db2.gz NPEYLVUQARJHJP-VOTSOKGWSA-N 0 0 246.313 4.247 10 0 BIAERN CCc1ccc(-c2ccc(-c3ncc[nH]3)cc2)cc1 ZINC000089202732 383943722 /nfs/dbraw/zinc/94/37/22/383943722.db2.gz JYNSJKZZDIRIDF-UHFFFAOYSA-N 0 0 248.329 4.306 10 0 BIAERN C=Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1 ZINC000089208959 188318082 /nfs/dbraw/zinc/31/80/82/188318082.db2.gz LLLQQESOZZJGQC-UHFFFAOYSA-N 0 0 243.306 4.068 10 0 BIAERN CCc1ccc(-c2cccc3cc[nH]c32)cc1 ZINC000089209220 383947453 /nfs/dbraw/zinc/94/74/53/383947453.db2.gz AKSHZQYYNHTWPD-UHFFFAOYSA-N 0 0 221.303 4.397 10 0 BIAERN c1cc2cccc(C3SCCCS3)c2[nH]1 ZINC000089209257 183337166 /nfs/dbraw/zinc/33/71/66/183337166.db2.gz OVBVNRBONGUNRQ-UHFFFAOYSA-N 0 0 235.377 4.037 10 0 BIAERN Fc1ccc(-c2cccc3cc[nH]c32)c(F)c1 ZINC000089209402 383947313 /nfs/dbraw/zinc/94/73/13/383947313.db2.gz WEZBEAHMAZRSKN-UHFFFAOYSA-N 0 0 229.229 4.113 10 0 BIAERN Clc1ccccc1-c1cccc2cc[nH]c21 ZINC000089209404 383946830 /nfs/dbraw/zinc/94/68/30/383946830.db2.gz IGJONGZTRYXEST-UHFFFAOYSA-N 0 0 227.694 4.488 10 0 BIAERN Clc1cccc(-c2cccc3cc[nH]c32)c1 ZINC000089209416 383946839 /nfs/dbraw/zinc/94/68/39/383946839.db2.gz BSQRRYFLXHDVFZ-UHFFFAOYSA-N 0 0 227.694 4.488 10 0 BIAERN c1cc2cccc(SCc3ccccc3)c2[nH]1 ZINC000089209431 383947317 /nfs/dbraw/zinc/94/73/17/383947317.db2.gz GPRUEGAREFLCDA-UHFFFAOYSA-N 0 0 239.343 4.460 10 0 BIAERN CC1=C(C)[C@@H](C)C(C)=C1c1cccc2c1NCC2 ZINC000089210652 168086777 /nfs/dbraw/zinc/08/67/77/168086777.db2.gz CMCBWGQAUUXXKJ-SNVBAGLBSA-N 0 0 239.362 4.414 10 0 BIAERN CC1=C(C)[C@H](C)C(C)=C1c1cccc2c1NCC2 ZINC000089210653 168086728 /nfs/dbraw/zinc/08/67/28/168086728.db2.gz CMCBWGQAUUXXKJ-JTQLQIEISA-N 0 0 239.362 4.414 10 0 BIAERN Clc1nccc2sc(-c3ccccc3)nc21 ZINC000089229193 383952035 /nfs/dbraw/zinc/95/20/35/383952035.db2.gz CHENJFUNYKHJET-UHFFFAOYSA-N 0 0 246.722 4.012 10 0 BIAERN CC(C)=CSc1nc2ncc(C)cc2s1 ZINC000089229389 383952572 /nfs/dbraw/zinc/95/25/72/383952572.db2.gz ZYYBJUVDTIUGQR-UHFFFAOYSA-N 0 0 236.365 4.016 10 0 BIAERN CCC[C@@]1(C)C=Nc2ccc(Cl)cc21 ZINC000090373558 169460139 /nfs/dbraw/zinc/46/01/39/169460139.db2.gz CIOYEWWCCGQGFC-LBPRGKRZSA-N 0 0 207.704 4.114 10 0 BIAERN Cc1ccc(-c2ccnc(Cl)c2Cl)cc1 ZINC000090378129 178327967 /nfs/dbraw/zinc/32/79/67/178327967.db2.gz LXVWCMGHNYBIJL-UHFFFAOYSA-N 0 0 238.117 4.364 10 0 BIAERN CCc1ccc(CCc2ccccc2)cc1 ZINC000090415543 384047456 /nfs/dbraw/zinc/04/74/56/384047456.db2.gz BDEIYMXBPHSOSG-UHFFFAOYSA-N 0 0 210.320 4.034 10 0 BIAERN CCCCc1ccc(-c2ccc(OC)cc2)o1 ZINC000090428980 169019382 /nfs/dbraw/zinc/01/93/82/169019382.db2.gz CIIMXDJCBZTKMM-UHFFFAOYSA-N 0 0 230.307 4.298 10 0 BIAERN CCCCN1c2cc(O)ccc2C(C)=CC1(C)C ZINC000090442349 132311649 /nfs/dbraw/zinc/31/16/49/132311649.db2.gz TULAMVSPDRWJJS-UHFFFAOYSA-N 0 0 245.366 4.194 10 0 BIAERN C=C/C=C\CCCCCC(=O)OCCCC ZINC000090447432 187275296 /nfs/dbraw/zinc/27/52/96/187275296.db2.gz IAJMFWMUVKHKLG-ALCCZGGFSA-N 0 0 224.344 4.022 10 0 BIAERN Nc1ccc(-c2ccccc2)c2c(Cl)c[nH]c21 ZINC000090483725 181695495 /nfs/dbraw/zinc/69/54/95/181695495.db2.gz KWMZTGKNGSHMSL-UHFFFAOYSA-N 0 0 242.709 4.071 10 0 BIAERN C[C@@]1(c2ccccc2)C=Nc2ccc(Cl)cc21 ZINC000090493645 176547721 /nfs/dbraw/zinc/54/77/21/176547721.db2.gz ISRYQBZDOGDQFL-HNNXBMFYSA-N 0 0 241.721 4.362 10 0 BIAERN Cc1cccc(Cl)c1NCc1ccccc1F ZINC000090522033 256566104 /nfs/dbraw/zinc/56/61/04/256566104.db2.gz OIGHQHKWNVQHCV-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN Cc1cccc(Cl)c1NCc1cccc(F)c1 ZINC000090523701 256565939 /nfs/dbraw/zinc/56/59/39/256565939.db2.gz AUQOSKQVQCSSHT-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN Cc1cccc(Cl)c1NCc1ccc(F)cc1 ZINC000090525697 256566651 /nfs/dbraw/zinc/56/66/51/256566651.db2.gz IVWWZRMLMVKKPP-UHFFFAOYSA-N 0 0 249.716 4.400 10 0 BIAERN COc1cc(Cl)cc(Oc2ccccc2)c1 ZINC000090528432 384055924 /nfs/dbraw/zinc/05/59/24/384055924.db2.gz BTAJPEXKONLWRS-UHFFFAOYSA-N 0 0 234.682 4.141 10 0 BIAERN COc1ccc(Cl)cc1Oc1ccccc1 ZINC000090548146 175121771 /nfs/dbraw/zinc/12/17/71/175121771.db2.gz LUGVFGQTSFBDHY-UHFFFAOYSA-N 0 0 234.682 4.141 10 0 BIAERN CSCc1ccccc1-c1ccccc1 ZINC000090557163 368988546 /nfs/dbraw/zinc/98/85/46/368988546.db2.gz DZUYZKWVIUIPIN-UHFFFAOYSA-N 0 0 214.333 4.217 10 0 BIAERN Fc1ccc(-c2nccc3ccccc32)c(F)c1 ZINC000090558019 180960450 /nfs/dbraw/zinc/96/04/50/180960450.db2.gz AAOXLOHKUSXMGM-UHFFFAOYSA-N 0 0 241.240 4.180 10 0 BIAERN Cc1ccc2cc(-c3ccc(C=O)cc3)ccc2n1 ZINC000090669137 384067932 /nfs/dbraw/zinc/06/79/32/384067932.db2.gz OADHTSJQNYUVHX-UHFFFAOYSA-N 0 0 247.297 4.023 10 0 BIAERN Cc1cccc(-c2ccc(C=O)cc2)c1Cl ZINC000090669140 384068027 /nfs/dbraw/zinc/06/80/27/384068027.db2.gz KIKHZWZBHVIZHZ-UHFFFAOYSA-N 0 0 230.694 4.128 10 0 BIAERN Cc1cccc(-c2cccc(C=O)c2)c1Cl ZINC000090669352 384068526 /nfs/dbraw/zinc/06/85/26/384068526.db2.gz BEUGUWXVWKFYRR-UHFFFAOYSA-N 0 0 230.694 4.128 10 0 BIAERN C/C(=C\CO)c1cc(C(C)C)cc(C(C)C)c1 ZINC000090726583 347144318 /nfs/dbraw/zinc/14/43/18/347144318.db2.gz ZERMCAJJOQUEID-AWNIVKPZSA-N 0 0 232.367 4.329 10 0 BIAERN C=C/C=C\c1cc(-c2ccc(Cl)cc2)no1 ZINC000090734180 188270998 /nfs/dbraw/zinc/27/09/98/188270998.db2.gz UGVKOKJKLBFYRK-ARJAWSKDSA-N 0 0 231.682 4.194 10 0 BIAERN c1ccc(-c2cccc(-c3ccccn3)c2)cc1 ZINC000090751508 183379893 /nfs/dbraw/zinc/37/98/93/183379893.db2.gz QWVOHJGKYCTVIR-UHFFFAOYSA-N 0 0 231.298 4.416 10 0 BIAERN CC(C)(C)c1ccc(CO[C@@H]2CCCCO2)cc1 ZINC000090765564 188271583 /nfs/dbraw/zinc/27/15/83/188271583.db2.gz ZUYTUKIGHBKVDH-OAHLLOKOSA-N 0 0 248.366 4.027 10 0 BIAERN CC(C)(C)c1ccc(CO[C@H]2CCCCO2)cc1 ZINC000090765565 188271827 /nfs/dbraw/zinc/27/18/27/188271827.db2.gz ZUYTUKIGHBKVDH-HNNXBMFYSA-N 0 0 248.366 4.027 10 0 BIAERN CCCn1ccc(CNc2ccc(C)cc2C)c1 ZINC000091008932 256582554 /nfs/dbraw/zinc/58/25/54/256582554.db2.gz UWRMLJUHQBBMLH-UHFFFAOYSA-N 0 0 242.366 4.127 10 0 BIAERN CCCn1ccc(CNc2ccccc2Cl)c1 ZINC000091009277 256582789 /nfs/dbraw/zinc/58/27/89/256582789.db2.gz FJUKYOXSJOVFAL-UHFFFAOYSA-N 0 0 248.757 4.164 10 0 BIAERN CCCn1ccc(CNc2ccccc2CC)c1 ZINC000091009368 256575624 /nfs/dbraw/zinc/57/56/24/256575624.db2.gz ZLVFTGOIWVYHJR-UHFFFAOYSA-N 0 0 242.366 4.073 10 0 BIAERN FC(F)(F)Sc1ncc(Cl)cc1Cl ZINC000091252784 180888914 /nfs/dbraw/zinc/88/89/14/180888914.db2.gz FBASVBCZILPMGA-UHFFFAOYSA-N 0 0 248.056 4.000 10 0 BIAERN COc1ccc(C(=O)CC2CCCC2)c(C)c1C ZINC000091302001 175053585 /nfs/dbraw/zinc/05/35/85/175053585.db2.gz MZZHYECANRLDFJ-UHFFFAOYSA-N 0 0 246.350 4.075 10 0 BIAERN CCCCCc1ccc(NC(C)=O)c(Cl)c1 ZINC000091352048 168749417 /nfs/dbraw/zinc/74/94/17/168749417.db2.gz SRWYUJVGUOLVPE-UHFFFAOYSA-N 0 0 239.746 4.031 10 0 BIAERN COc1cccc(N2C(C)(C)CCCC2(C)C)c1 ZINC000091356032 132428749 /nfs/dbraw/zinc/42/87/49/132428749.db2.gz OZKVZKNWAZDAIW-UHFFFAOYSA-N 0 0 247.382 4.243 10 0 BIAERN Fc1cccc2c1C(c1ccc(Cl)cc1)=CC2 ZINC000091364420 181004687 /nfs/dbraw/zinc/00/46/87/181004687.db2.gz WQMWYUARQKTFGK-UHFFFAOYSA-N 0 0 244.696 4.467 10 0 BIAERN CC/C=C\C(=C/CCC)c1ccncc1 ZINC000091365799 384122951 /nfs/dbraw/zinc/12/29/51/384122951.db2.gz HACPSRQILQUBMY-IPYMFYIGSA-N 0 0 201.313 4.231 10 0 BIAERN CC/C=C\C(=C\CCC)c1ccncc1 ZINC000091365800 384122510 /nfs/dbraw/zinc/12/25/10/384122510.db2.gz HACPSRQILQUBMY-XKCBTEEFSA-N 0 0 201.313 4.231 10 0 BIAERN CC/C=C/C(=C\CCC)c1ccncc1 ZINC000091365801 187287183 /nfs/dbraw/zinc/28/71/83/187287183.db2.gz HACPSRQILQUBMY-OAPZVAQESA-N 0 0 201.313 4.231 10 0 BIAERN CC/C=C/C(=C/CCC)c1ccncc1 ZINC000091365802 187799180 /nfs/dbraw/zinc/79/91/80/187799180.db2.gz HACPSRQILQUBMY-DUHYVXLSSA-N 0 0 201.313 4.231 10 0 BIAERN O=C(c1ccccc1)c1ccc(-c2ccco2)cc1 ZINC000091365917 384123688 /nfs/dbraw/zinc/12/36/88/384123688.db2.gz TVVNPEMAUBAFKX-UHFFFAOYSA-N 0 0 248.281 4.178 10 0 BIAERN Cc1cccc(C2=CCc3ccc(F)c(F)c32)c1 ZINC000091365939 179050618 /nfs/dbraw/zinc/05/06/18/179050618.db2.gz WZQVFAXSNHXFBK-UHFFFAOYSA-N 0 0 242.268 4.261 10 0 BIAERN Clc1ccnc(SCC2CCCCC2)c1 ZINC000091366025 384123254 /nfs/dbraw/zinc/12/32/54/384123254.db2.gz VUPBWJKYTMAQOA-UHFFFAOYSA-N 0 0 241.787 4.407 10 0 BIAERN Clc1ccnc(SC2CCCCC2)c1 ZINC000091366027 384122649 /nfs/dbraw/zinc/12/26/49/384122649.db2.gz ZXDCPCOEPCIMSV-UHFFFAOYSA-N 0 0 227.760 4.160 10 0 BIAERN Clc1ccnc(SCC2CCCC2)c1 ZINC000091366029 384122542 /nfs/dbraw/zinc/12/25/42/384122542.db2.gz SXYDJFWDXNYNFN-UHFFFAOYSA-N 0 0 227.760 4.017 10 0 BIAERN CCC[C@@H](C)Sc1cc(Cl)ccn1 ZINC000091366043 169372298 /nfs/dbraw/zinc/37/22/98/169372298.db2.gz AFAUXKCWFSPALZ-MRVPVSSYSA-N 0 0 215.749 4.016 10 0 BIAERN CCC[C@H](C)Sc1cc(Cl)ccn1 ZINC000091366044 169494604 /nfs/dbraw/zinc/49/46/04/169494604.db2.gz AFAUXKCWFSPALZ-QMMMGPOBSA-N 0 0 215.749 4.016 10 0 BIAERN CCC(CC)Sc1cc(Cl)ccn1 ZINC000091366046 168396889 /nfs/dbraw/zinc/39/68/89/168396889.db2.gz AAMONSFUACTILQ-UHFFFAOYSA-N 0 0 215.749 4.016 10 0 BIAERN CCCCCSc1cc(Cl)ccn1 ZINC000091366048 384122736 /nfs/dbraw/zinc/12/27/36/384122736.db2.gz FJFXFYHRXWZFML-UHFFFAOYSA-N 0 0 215.749 4.017 10 0 BIAERN Cc1cccc([C@@H]2CCc3ccc(F)c(F)c32)c1 ZINC000091366525 179191089 /nfs/dbraw/zinc/19/10/89/179191089.db2.gz CNLOKSAQZFEIPJ-ZDUSSCGKSA-N 0 0 244.284 4.351 10 0 BIAERN Cc1cccc([C@H]2CCc3ccc(F)c(F)c32)c1 ZINC000091366526 188145902 /nfs/dbraw/zinc/14/59/02/188145902.db2.gz CNLOKSAQZFEIPJ-CYBMUJFWSA-N 0 0 244.284 4.351 10 0 BIAERN CCOC(=O)C(C)=C1CCC(C(C)(C)C)CC1 ZINC000091369021 170188081 /nfs/dbraw/zinc/18/80/81/170188081.db2.gz JGPFFZVYFRQYPC-UHFFFAOYSA-N 0 0 238.371 4.102 10 0 BIAERN CC[C@H](Nc1ccncc1Cl)c1ccccc1 ZINC000094267013 386941135 /nfs/dbraw/zinc/94/11/35/386941135.db2.gz PVEQPDJXBDLMLL-ZDUSSCGKSA-N 0 0 246.741 4.298 10 0 BIAERN CC[C@@H](Nc1ccncc1Cl)c1ccccc1 ZINC000094267014 386941164 /nfs/dbraw/zinc/94/11/64/386941164.db2.gz PVEQPDJXBDLMLL-CYBMUJFWSA-N 0 0 246.741 4.298 10 0 BIAERN C[C@]12CC3CC(n4cccc4)(C1)C[C@@](C)(C3)C2 ZINC000094545054 385675031 /nfs/dbraw/zinc/67/50/31/385675031.db2.gz SQPURFXVHYSYMD-IRHLINNNSA-N 0 0 229.367 4.194 10 0 BIAERN CC(C)c1ccc(/C=C/C(=O)OC(C)(C)C)cc1 ZINC000094755272 538603548 /nfs/dbraw/zinc/60/35/48/538603548.db2.gz YEECXXFPVXBDBD-DHZHZOJOSA-N 0 0 246.350 4.165 10 0 BIAERN CC(=O)c1ccccc1-c1ccc(Cl)cc1F ZINC000094822297 343153411 /nfs/dbraw/zinc/15/34/11/343153411.db2.gz MKFZCXIYCQPKLL-UHFFFAOYSA-N 0 0 248.684 4.349 10 0 BIAERN Cc1ccccc1N[C@@H](C)c1cc(F)cc(F)c1 ZINC000094826129 256639226 /nfs/dbraw/zinc/63/92/26/256639226.db2.gz VMYLGGDEIOMMMK-NSHDSACASA-N 0 0 247.288 4.446 10 0 BIAERN Cc1ccccc1N[C@H](C)c1cc(F)cc(F)c1 ZINC000094826130 256639217 /nfs/dbraw/zinc/63/92/17/256639217.db2.gz VMYLGGDEIOMMMK-LLVKDONJSA-N 0 0 247.288 4.446 10 0 BIAERN C[C@H](Nc1cccc2c1CCCC2)c1ccoc1 ZINC000094867406 384990074 /nfs/dbraw/zinc/99/00/74/384990074.db2.gz JLSYOJODUYDJKQ-LBPRGKRZSA-N 0 0 241.334 4.332 10 0 BIAERN C[C@@H](Nc1cccc2c1CCCC2)c1ccoc1 ZINC000094867407 384991255 /nfs/dbraw/zinc/99/12/55/384991255.db2.gz JLSYOJODUYDJKQ-GFCCVEGCSA-N 0 0 241.334 4.332 10 0 BIAERN Cc1cccc(N[C@H](C)c2ccc(C)c(F)c2)n1 ZINC000094957892 179156269 /nfs/dbraw/zinc/15/62/69/179156269.db2.gz MWYQAFBRKDFFDE-GFCCVEGCSA-N 0 0 244.313 4.011 10 0 BIAERN Cc1cccc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000094957893 179153752 /nfs/dbraw/zinc/15/37/52/179153752.db2.gz MWYQAFBRKDFFDE-LBPRGKRZSA-N 0 0 244.313 4.011 10 0 BIAERN CSc1ccccc1N(C(C)C)C(F)(F)F ZINC000095076617 384352376 /nfs/dbraw/zinc/35/23/76/384352376.db2.gz XFVRHNFNRCYTEE-UHFFFAOYSA-N 0 0 249.301 4.143 10 0 BIAERN CSc1ccc(N(C(C)C)C(F)(F)F)cc1 ZINC000095076625 175576777 /nfs/dbraw/zinc/57/67/77/175576777.db2.gz OTKJAUBYMBLADT-UHFFFAOYSA-N 0 0 249.301 4.143 10 0 BIAERN CSc1cccc(N(C(C)C)C(F)(F)F)c1 ZINC000095076633 384353010 /nfs/dbraw/zinc/35/30/10/384353010.db2.gz PNRIKIUCIXMSLV-UHFFFAOYSA-N 0 0 249.301 4.143 10 0 BIAERN Cc1ccc(COc2cc(C)ccc2C)cc1 ZINC000095080889 187973942 /nfs/dbraw/zinc/97/39/42/187973942.db2.gz ZZXKBYIFFUOQRR-UHFFFAOYSA-N 0 0 226.319 4.191 10 0 BIAERN Cc1ccc(C)c(COc2cc(C)ccc2C)c1 ZINC000095080954 178476049 /nfs/dbraw/zinc/47/60/49/178476049.db2.gz IFNRAOYQEDFEDN-UHFFFAOYSA-N 0 0 240.346 4.499 10 0 BIAERN Cc1ccc(C)c(OCc2cc(C)cc(C)c2)c1 ZINC000095081891 384358424 /nfs/dbraw/zinc/35/84/24/384358424.db2.gz FOFZTRDUSILXAZ-UHFFFAOYSA-N 0 0 240.346 4.499 10 0 BIAERN Cc1cc(C)cc(OCc2ccccc2C)c1 ZINC000095081892 177913634 /nfs/dbraw/zinc/91/36/34/177913634.db2.gz XWMUTEDTCZJBJQ-UHFFFAOYSA-N 0 0 226.319 4.191 10 0 BIAERN Cc1cc(C)cc(OCCCc2ccccc2)c1 ZINC000095081895 384359320 /nfs/dbraw/zinc/35/93/20/384359320.db2.gz XUPKTHJPUBRJNC-UHFFFAOYSA-N 0 0 240.346 4.315 10 0 BIAERN Cc1ccc(C)c(OCCCc2ccccc2)c1 ZINC000095081907 384358491 /nfs/dbraw/zinc/35/84/91/384358491.db2.gz HIABHKXSECQTNW-UHFFFAOYSA-N 0 0 240.346 4.315 10 0 BIAERN Cc1cccc(COc2cc(C)cc(C)c2)c1 ZINC000095081925 179103399 /nfs/dbraw/zinc/10/33/99/179103399.db2.gz MDXZAYMSKOUSEB-UHFFFAOYSA-N 0 0 226.319 4.191 10 0 BIAERN Cc1cccc(COc2cc(C)ccc2C)c1 ZINC000095081926 179103430 /nfs/dbraw/zinc/10/34/30/179103430.db2.gz XJSVYWYWOMBRPV-UHFFFAOYSA-N 0 0 226.319 4.191 10 0 BIAERN CC(C)N(c1ccccc1Cl)C(F)(F)F ZINC000095088043 187287075 /nfs/dbraw/zinc/28/70/75/187287075.db2.gz KFLSNNSLAACELK-UHFFFAOYSA-N 0 0 237.652 4.075 10 0 BIAERN CC(C)N(c1cccc(Cl)c1)C(F)(F)F ZINC000095088050 191053917 /nfs/dbraw/zinc/05/39/17/191053917.db2.gz GBGBNMKYHZMSRK-UHFFFAOYSA-N 0 0 237.652 4.075 10 0 BIAERN CC(C)N(c1ccc(Cl)cc1)C(F)(F)F ZINC000095088058 187286867 /nfs/dbraw/zinc/28/68/67/187286867.db2.gz VIJMRTOHFPPANK-UHFFFAOYSA-N 0 0 237.652 4.075 10 0 BIAERN CC(C)c1cccc(C(C)C)c1Cc1ncc[nH]1 ZINC000095559906 384920649 /nfs/dbraw/zinc/92/06/49/384920649.db2.gz HGNWYBNUXYACPU-UHFFFAOYSA-N 0 0 242.366 4.247 10 0 BIAERN Cc1ccccc1S/C=C\C(F)(F)F ZINC000095630486 179314876 /nfs/dbraw/zinc/31/48/76/179314876.db2.gz GMJNYJCHFKFHGY-SREVYHEPSA-N 0 0 218.243 4.163 10 0 BIAERN CCc1ccc(CC2CCCCC2)cc1O ZINC000095711169 171790711 /nfs/dbraw/zinc/79/07/11/171790711.db2.gz XQLHTDQQOSRBTM-UHFFFAOYSA-N 0 0 218.340 4.077 10 0 BIAERN CCc1c(O)cccc1CC1CCCCC1 ZINC000095711325 171744540 /nfs/dbraw/zinc/74/45/40/171744540.db2.gz QNMUXUXTQULTFK-UHFFFAOYSA-N 0 0 218.340 4.077 10 0 BIAERN CCc1cc(O)ccc1CC1CCCCC1 ZINC000095711337 188320803 /nfs/dbraw/zinc/32/08/03/188320803.db2.gz ULVWMLPQDNAGJG-UHFFFAOYSA-N 0 0 218.340 4.077 10 0 BIAERN CCc1cccc(CC2CCCCC2)c1O ZINC000095711367 171855780 /nfs/dbraw/zinc/85/57/80/171855780.db2.gz LAEHAWLKIGLQIM-UHFFFAOYSA-N 0 0 218.340 4.077 10 0 BIAERN CSc1ccc(CC2CCCCC2)c(O)c1 ZINC000095712640 187628107 /nfs/dbraw/zinc/62/81/07/187628107.db2.gz MLLULNNOSJFQOE-UHFFFAOYSA-N 0 0 236.380 4.237 10 0 BIAERN Oc1ccc(CC2CCCCC2)cc1Cl ZINC000095713173 183268712 /nfs/dbraw/zinc/26/87/12/183268712.db2.gz HCZBOQHMTZJMHD-UHFFFAOYSA-N 0 0 224.731 4.168 10 0 BIAERN Oc1cc(Cl)cc(CC2CCCCC2)c1 ZINC000095713566 183258583 /nfs/dbraw/zinc/25/85/83/183258583.db2.gz BPQBKPCTUWFQMY-UHFFFAOYSA-N 0 0 224.731 4.168 10 0 BIAERN Oc1cccc(Cl)c1CC1CCCCC1 ZINC000095719772 183293378 /nfs/dbraw/zinc/29/33/78/183293378.db2.gz YCMBNSLBSHQCRK-UHFFFAOYSA-N 0 0 224.731 4.168 10 0 BIAERN CC(C)c1cccc(Cl)c1OC1CC1 ZINC000095720084 167630986 /nfs/dbraw/zinc/63/09/86/167630986.db2.gz WRHNELFANLGOGO-UHFFFAOYSA-N 0 0 210.704 4.005 10 0 BIAERN CC(C)c1ccc(Cl)cc1OC1CC1 ZINC000095720447 167601025 /nfs/dbraw/zinc/60/10/25/167601025.db2.gz LVCDASBMGBRFIZ-UHFFFAOYSA-N 0 0 210.704 4.005 10 0 BIAERN CC(C)(C)c1ccc(OC2CC2)c(Cl)c1 ZINC000095720590 187287502 /nfs/dbraw/zinc/28/75/02/187287502.db2.gz XWJNAKCKONTSLH-UHFFFAOYSA-N 0 0 224.731 4.179 10 0 BIAERN CC(C)c1ccc(OC2CC2)c(Cl)c1 ZINC000095721029 167608761 /nfs/dbraw/zinc/60/87/61/167608761.db2.gz GKTUSHGRARGOPT-UHFFFAOYSA-N 0 0 210.704 4.005 10 0 BIAERN Oc1ccc(CC2CCCCC2)c(Cl)c1 ZINC000095721554 183269111 /nfs/dbraw/zinc/26/91/11/183269111.db2.gz ZIJNNUYAZCUDMH-UHFFFAOYSA-N 0 0 224.731 4.168 10 0 BIAERN Oc1cc(CC2CCCCC2)ccc1Cl ZINC000095721589 183256177 /nfs/dbraw/zinc/25/61/77/183256177.db2.gz BKBFIBUMOGUJGV-UHFFFAOYSA-N 0 0 224.731 4.168 10 0 BIAERN CSc1cc(O)cc(CC2CCCCC2)c1 ZINC000095721720 175573292 /nfs/dbraw/zinc/57/32/92/175573292.db2.gz IMQWOQIDRRFHHM-UHFFFAOYSA-N 0 0 236.380 4.237 10 0 BIAERN Oc1cccc(CC2CCCCC2)c1Cl ZINC000095722285 183287634 /nfs/dbraw/zinc/28/76/34/183287634.db2.gz NLLLFRUIOBVZJA-UHFFFAOYSA-N 0 0 224.731 4.168 10 0 BIAERN CCc1cc(OC2CC2)cc(C(C)(C)C)c1 ZINC000095723133 171773256 /nfs/dbraw/zinc/77/32/56/171773256.db2.gz OIDJTKKZNWUCAA-UHFFFAOYSA-N 0 0 218.340 4.088 10 0 BIAERN CC(C)(C)c1cccc(Cl)c1OC1CC1 ZINC000095723406 188147188 /nfs/dbraw/zinc/14/71/88/188147188.db2.gz COFPDIXTUYLITP-UHFFFAOYSA-N 0 0 224.731 4.179 10 0 BIAERN Oc1ccc(Cl)c(CC2CCCCC2)c1 ZINC000095723412 183271554 /nfs/dbraw/zinc/27/15/54/183271554.db2.gz KKNPFWFMGIOXSP-UHFFFAOYSA-N 0 0 224.731 4.168 10 0 BIAERN CC(C)c1ccc(C(C)C)c(OC2CC2)c1 ZINC000095723730 167592998 /nfs/dbraw/zinc/59/29/98/167592998.db2.gz KJOKIVKRCCJYOV-UHFFFAOYSA-N 0 0 218.340 4.475 10 0 BIAERN CC(C)(C)Oc1ccc(OC2CC2)cc1Cl ZINC000095723771 188319915 /nfs/dbraw/zinc/31/99/15/188319915.db2.gz PBXGOQUQBHOEIC-UHFFFAOYSA-N 0 0 240.730 4.059 10 0 BIAERN Oc1cc(Cl)ccc1CC1CCCCC1 ZINC000095724518 183258928 /nfs/dbraw/zinc/25/89/28/183258928.db2.gz KZIFEMIOBHWQAX-UHFFFAOYSA-N 0 0 224.731 4.168 10 0 BIAERN CCc1cccc(C(C)(C)C)c1OC1CC1 ZINC000095724900 171853064 /nfs/dbraw/zinc/85/30/64/171853064.db2.gz NCBLUPDOVAASNN-UHFFFAOYSA-N 0 0 218.340 4.088 10 0 BIAERN CC(C)(C)Oc1cc(Cl)ccc1OC1CC1 ZINC000095725346 188146395 /nfs/dbraw/zinc/14/63/95/188146395.db2.gz HSXWAAARWMCTBN-UHFFFAOYSA-N 0 0 240.730 4.059 10 0 BIAERN CC(C)(C)c1ccc(Cl)c(OC2CC2)c1 ZINC000095725368 188320023 /nfs/dbraw/zinc/32/00/23/188320023.db2.gz SAWTZDVSEBJUIW-UHFFFAOYSA-N 0 0 224.731 4.179 10 0 BIAERN Oc1ccc(Cl)cc1CC1CCCCC1 ZINC000095727067 183273575 /nfs/dbraw/zinc/27/35/75/183273575.db2.gz WBGLJCOHELOENS-UHFFFAOYSA-N 0 0 224.731 4.168 10 0 BIAERN CC(C)c1cccc(OC2CC2)c1Cl ZINC000095727237 167634996 /nfs/dbraw/zinc/63/49/96/167634996.db2.gz GGHJDXZELMFHBH-UHFFFAOYSA-N 0 0 210.704 4.005 10 0 BIAERN CSc1c(OC2CC2)cccc1C(C)(C)C ZINC000095732100 175571524 /nfs/dbraw/zinc/57/15/24/175571524.db2.gz DDSZPDINFDALAC-UHFFFAOYSA-N 0 0 236.380 4.247 10 0 BIAERN CSc1ccc(C(C)C)cc1OC1CC1 ZINC000095732802 187974478 /nfs/dbraw/zinc/97/44/78/187974478.db2.gz REDMNRGNOHEVNC-UHFFFAOYSA-N 0 0 222.353 4.073 10 0 BIAERN CSc1ccc(C(C)(C)C)cc1OC1CC1 ZINC000095732822 187456314 /nfs/dbraw/zinc/45/63/14/187456314.db2.gz HHHBIQRKABJAGR-UHFFFAOYSA-N 0 0 236.380 4.247 10 0 BIAERN CSc1ccc(OC2CC2)c(C(C)C)c1 ZINC000095732866 188320347 /nfs/dbraw/zinc/32/03/47/188320347.db2.gz WZJYIEYHLUANEY-UHFFFAOYSA-N 0 0 222.353 4.073 10 0 BIAERN CSc1ccc(OC2CC2)c(C(C)(C)C)c1 ZINC000095732892 187973784 /nfs/dbraw/zinc/97/37/84/187973784.db2.gz WZAMQKKBMTXGSQ-UHFFFAOYSA-N 0 0 236.380 4.247 10 0 BIAERN CSc1ccc(OC2CC2)cc1C(C)(C)C ZINC000095732993 188146824 /nfs/dbraw/zinc/14/68/24/188146824.db2.gz PMETVHMRSNRJIF-UHFFFAOYSA-N 0 0 236.380 4.247 10 0 BIAERN CSc1cccc(OC2CC2)c1C(C)(C)C ZINC000095733102 175581121 /nfs/dbraw/zinc/58/11/21/175581121.db2.gz VOAGSIVEIFXCBU-UHFFFAOYSA-N 0 0 236.380 4.247 10 0 BIAERN CC(C)(C)c1ccc(Cl)cc1OC1CC1 ZINC000095742116 188320504 /nfs/dbraw/zinc/32/05/04/188320504.db2.gz GWQUBMKEGASYDA-UHFFFAOYSA-N 0 0 224.731 4.179 10 0 BIAERN C[C@@H]1CCc2cc(-c3ccccc3)ccc21 ZINC000095776348 176239757 /nfs/dbraw/zinc/23/97/57/176239757.db2.gz HYACLZWJAWSGFH-GFCCVEGCSA-N 0 0 208.304 4.403 10 0 BIAERN C[C@H]1CCc2cc(-c3ccccc3)ccc21 ZINC000095776349 177209658 /nfs/dbraw/zinc/20/96/58/177209658.db2.gz HYACLZWJAWSGFH-LBPRGKRZSA-N 0 0 208.304 4.403 10 0 BIAERN Cc1cc2c(c(C(C)(C)C)c1)NCCCC2 ZINC000095829172 178282658 /nfs/dbraw/zinc/28/26/58/178282658.db2.gz HPRKNBKZJRWHDT-UHFFFAOYSA-N 0 0 217.356 4.041 10 0 BIAERN c1ccc(COc2ccc(C3CC3)cc2)cc1 ZINC000095830158 384400847 /nfs/dbraw/zinc/40/08/47/384400847.db2.gz SARLPFLSHPDCIP-UHFFFAOYSA-N 0 0 224.303 4.143 10 0 BIAERN Cc1cccc2c1ccnc2-c1ccccc1 ZINC000095830645 179207869 /nfs/dbraw/zinc/20/78/69/179207869.db2.gz ABZRXXLIXJOIOC-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN Cc1cccc(C)c1-n1ccnc1-c1ccccc1 ZINC000095830652 179028752 /nfs/dbraw/zinc/02/87/52/179028752.db2.gz DNQQLTJLFCPFKA-UHFFFAOYSA-N 0 0 248.329 4.156 10 0 BIAERN Oc1cccc2oc(-c3ccc(Cl)cc3)cc21 ZINC000095831274 183298826 /nfs/dbraw/zinc/29/88/26/183298826.db2.gz ACTWEOJJVVQUHZ-UHFFFAOYSA-N 0 0 244.677 4.459 10 0 BIAERN Cc1cc2c(Cl)cc(Cl)nc2c(F)c1F ZINC000095831294 178277953 /nfs/dbraw/zinc/27/79/53/178277953.db2.gz CMXMCSAKGRJSJF-UHFFFAOYSA-N 0 0 248.059 4.128 10 0 BIAERN CC(=O)c1cccc(/C=C\c2ccccc2)c1 ZINC000095859912 635494739 /nfs/dbraw/zinc/49/47/39/635494739.db2.gz VNUWQZDEKYVXSI-KHPPLWFESA-N 0 0 222.287 4.060 10 0 BIAERN CCc1cccc2[nH]c3cccc(CC)c3c21 ZINC000095911123 384407898 /nfs/dbraw/zinc/40/78/98/384407898.db2.gz XEISIWKOCPKZCJ-UHFFFAOYSA-N 0 0 223.319 4.446 10 0 BIAERN C[C@@H]1CCN(Cc2ccccc2)c2ccccc21 ZINC000095930686 384410362 /nfs/dbraw/zinc/41/03/62/384410362.db2.gz HVZANMAQNXJMCG-CQSZACIVSA-N 0 0 237.346 4.200 10 0 BIAERN C[C@H]1CCN(Cc2ccccc2)c2ccccc21 ZINC000095930687 384410240 /nfs/dbraw/zinc/41/02/40/384410240.db2.gz HVZANMAQNXJMCG-AWEZNQCLSA-N 0 0 237.346 4.200 10 0 BIAERN C/C=C/[C@@H](C)c1ccc([C@@H](C)/C=C/C)c(N)c1N ZINC000095930826 384410160 /nfs/dbraw/zinc/41/01/60/384410160.db2.gz OTCOHZDGNJUATN-CHHBLTGYSA-N 0 0 244.382 4.210 10 0 BIAERN C/C=C/[C@@H](C)c1ccc([C@H](C)/C=C/C)c(N)c1N ZINC000095930828 384410007 /nfs/dbraw/zinc/41/00/07/384410007.db2.gz OTCOHZDGNJUATN-LIWAJFOQSA-N 0 0 244.382 4.210 10 0 BIAERN C/C=C/[C@H](C)c1ccc([C@@H](C)/C=C/C)c(N)c1N ZINC000095930830 384409534 /nfs/dbraw/zinc/40/95/34/384409534.db2.gz OTCOHZDGNJUATN-FKBPJMIASA-N 0 0 244.382 4.210 10 0 BIAERN CCCc1[nH]c2ccc(Cl)cc2c1C ZINC000095930922 188321349 /nfs/dbraw/zinc/32/13/49/188321349.db2.gz KTWICTFCOGANOZ-UHFFFAOYSA-N 0 0 207.704 4.082 10 0 BIAERN C1=Cc2ccc3cc4ncsc4cc3c2C1 ZINC000095931200 188321386 /nfs/dbraw/zinc/32/13/86/188321386.db2.gz CZPRVHVBTHJBFF-UHFFFAOYSA-N 0 0 223.300 4.019 10 0 BIAERN c1nc2c(cc3cccc4c3c2CC=C4)s1 ZINC000095931520 187289156 /nfs/dbraw/zinc/28/91/56/187289156.db2.gz QCVHEBJKPYEJPB-UHFFFAOYSA-N 0 0 223.300 4.019 10 0 BIAERN c1nc2cc3cccc4c3c(c2s1)CC=C4 ZINC000095931521 187975592 /nfs/dbraw/zinc/97/55/92/187975592.db2.gz TTYJSBQVJDMIPQ-UHFFFAOYSA-N 0 0 223.300 4.019 10 0 BIAERN CC(C)CC[C@@H](C)C[C@H](O)CCC(C)C ZINC000095931634 384409918 /nfs/dbraw/zinc/40/99/18/384409918.db2.gz QMQJOIPUYQDMRD-ZIAGYGMSSA-N 0 0 214.393 4.246 10 0 BIAERN CC(C)CC[C@@H](O)C[C@@H](C)CCC(C)C ZINC000095931635 344358190 /nfs/dbraw/zinc/35/81/90/344358190.db2.gz QMQJOIPUYQDMRD-UONOGXRCSA-N 0 0 214.393 4.246 10 0 BIAERN CC(C)CC[C@@H](C)C[C@@H](O)CCC(C)C ZINC000095931636 344358074 /nfs/dbraw/zinc/35/80/74/344358074.db2.gz QMQJOIPUYQDMRD-KGLIPLIRSA-N 0 0 214.393 4.246 10 0 BIAERN CC(C)CC[C@H](C)C[C@@H](O)CCC(C)C ZINC000095931637 344358250 /nfs/dbraw/zinc/35/82/50/344358250.db2.gz QMQJOIPUYQDMRD-KBPBESRZSA-N 0 0 214.393 4.246 10 0 BIAERN Cc1ccc(-n2c3ccccc3c3c2CCC3)cc1 ZINC000095932567 178346119 /nfs/dbraw/zinc/34/61/19/178346119.db2.gz OWCSDNNJYRBFGN-UHFFFAOYSA-N 0 0 247.341 4.428 10 0 BIAERN c1ccc(Cc2ccc3c(c2)CCCC3)cc1 ZINC000095933174 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167938365 /nfs/dbraw/zinc/93/83/65/167938365.db2.gz AGLWWRHGJKSHSC-RYUDHWBXSA-N 0 0 200.325 4.255 10 0 BIAERN FC(F)(F)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000098091170 180891158 /nfs/dbraw/zinc/89/11/58/180891158.db2.gz FPLLSSUBYCLEBB-IUCAKERBSA-N 0 0 220.621 4.006 10 0 BIAERN CCC(=O)CCc1ccc([C@H](C)CC)cc1 ZINC000098124465 168204941 /nfs/dbraw/zinc/20/49/41/168204941.db2.gz IJDHSQGGPUFZSP-GFCCVEGCSA-N 0 0 218.340 4.112 10 0 BIAERN CCC(=O)CCc1ccc([C@@H](C)CC)cc1 ZINC000098124467 168205475 /nfs/dbraw/zinc/20/54/75/168205475.db2.gz IJDHSQGGPUFZSP-LBPRGKRZSA-N 0 0 218.340 4.112 10 0 BIAERN CCC(=O)CCc1ccc(SC(C)C)cc1 ZINC000098126184 168204766 /nfs/dbraw/zinc/20/47/66/168204766.db2.gz SPHGFMZNQAUJGZ-UHFFFAOYSA-N 0 0 236.380 4.099 10 0 BIAERN COc1ccc(/C=C/CCC(C)=O)cc1C(C)C ZINC000098128274 175047597 /nfs/dbraw/zinc/04/75/97/175047597.db2.gz OHFDVZGKROONQK-SOFGYWHQSA-N 0 0 246.350 4.201 10 0 BIAERN COc1ccc(C(C)C)cc1/C=C/CCC(C)=O ZINC000098128275 175068278 /nfs/dbraw/zinc/06/82/78/175068278.db2.gz 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MUWUCGLEOIGCOT-OLZOCXBDSA-N 0 0 235.371 4.464 10 0 BIAERN CCC[C@@H](C)Nc1cccc(O[C@H](C)CC)c1 ZINC000103992386 169372048 /nfs/dbraw/zinc/37/20/48/169372048.db2.gz MUWUCGLEOIGCOT-CHWSQXEVSA-N 0 0 235.371 4.464 10 0 BIAERN CCCOc1ccc(N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000103992404 169319753 /nfs/dbraw/zinc/31/97/53/169319753.db2.gz ZPXFKYPEVNXAKS-WOSRLPQWSA-N 0 0 245.366 4.076 10 0 BIAERN CCCOc1ccc(N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000103992407 169319785 /nfs/dbraw/zinc/31/97/85/169319785.db2.gz ZPXFKYPEVNXAKS-ZENOOKHLSA-N 0 0 245.366 4.076 10 0 BIAERN CCC[C@@H](C)Nc1cc(C(F)(F)F)ccc1F ZINC000103992551 169371315 /nfs/dbraw/zinc/37/13/15/169371315.db2.gz RUMGAFOLYPPSHG-MRVPVSSYSA-N 0 0 249.251 4.445 10 0 BIAERN CCCOc1ccc(NC[C@H](C)CCC)cc1 ZINC000103994309 169319803 /nfs/dbraw/zinc/31/98/03/169319803.db2.gz CHNIFBMQURXLBH-CYBMUJFWSA-N 0 0 235.371 4.324 10 0 BIAERN CCCOc1ccc(NC[C@@H](C)CCC)cc1 ZINC000103994314 169320370 /nfs/dbraw/zinc/32/03/70/169320370.db2.gz CHNIFBMQURXLBH-ZDUSSCGKSA-N 0 0 235.371 4.324 10 0 BIAERN CCCOc1ccc(NC2CCC(C)CC2)cc1 ZINC000103994319 169320314 /nfs/dbraw/zinc/32/03/14/169320314.db2.gz ZQGVZVVUTWCTSX-UHFFFAOYSA-N 0 0 247.382 4.466 10 0 BIAERN CCCOc1ccc(N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000103994324 169319744 /nfs/dbraw/zinc/31/97/44/169319744.db2.gz ZUIVZHXDAGIYEU-XJKSGUPXSA-N 0 0 247.382 4.466 10 0 BIAERN CCCOc1ccc(N[C@H]2CCCC[C@@H]2C)cc1 ZINC000103994329 169320385 /nfs/dbraw/zinc/32/03/85/169320385.db2.gz ZUIVZHXDAGIYEU-BBRMVZONSA-N 0 0 247.382 4.466 10 0 BIAERN CCCOc1ccc(N[C@@H]2CCCC[C@H]2C)cc1 ZINC000103994332 169319977 /nfs/dbraw/zinc/31/99/77/169319977.db2.gz ZUIVZHXDAGIYEU-CZUORRHYSA-N 0 0 247.382 4.466 10 0 BIAERN CCCOc1ccc(N[C@H]2CCCC[C@H]2C)cc1 ZINC000103994335 169319884 /nfs/dbraw/zinc/31/98/84/169319884.db2.gz ZUIVZHXDAGIYEU-CJNGLKHVSA-N 0 0 247.382 4.466 10 0 BIAERN Cc1ccc(C(=O)C2CCCCCC2)cc1C ZINC000103999173 178371332 /nfs/dbraw/zinc/37/13/32/178371332.db2.gz WILAMSVOMXHJMI-UHFFFAOYSA-N 0 0 230.351 4.457 10 0 BIAERN CCCC[C@H](CC)CNc1cccc(COC)c1 ZINC000104000571 168999136 /nfs/dbraw/zinc/99/91/36/168999136.db2.gz AUXFFEVMFAIHEI-AWEZNQCLSA-N 0 0 249.398 4.461 10 0 BIAERN CCCNc1cc(CC)nc2c(F)ccc(C)c12 ZINC000104002961 169294030 /nfs/dbraw/zinc/29/40/30/169294030.db2.gz FMKNVVIXXOCDAK-UHFFFAOYSA-N 0 0 246.329 4.067 10 0 BIAERN CCCNc1c(C)c(C)nc2c(F)ccc(C)c21 ZINC000104002965 169293964 /nfs/dbraw/zinc/29/39/64/169293964.db2.gz IEZYMTNKUCRCKM-UHFFFAOYSA-N 0 0 246.329 4.121 10 0 BIAERN CCCc1cc(NC)c2cc(C)cc(Cl)c2n1 ZINC000104005560 169567219 /nfs/dbraw/zinc/56/72/19/169567219.db2.gz QAGVRQXUHCAVTI-UHFFFAOYSA-N 0 0 248.757 4.191 10 0 BIAERN CCNc1cc(C(C)(C)C)nc2c(F)cccc12 ZINC000104005597 170171160 /nfs/dbraw/zinc/17/11/60/170171160.db2.gz SAMNETMLBFZNTF-UHFFFAOYSA-N 0 0 246.329 4.103 10 0 BIAERN CCNc1c2cccc(F)c2nc(C)c1C(C)C ZINC000104006924 170170572 /nfs/dbraw/zinc/17/05/72/170170572.db2.gz QPYBVUJWIOSQBH-UHFFFAOYSA-N 0 0 246.329 4.238 10 0 BIAERN Cc1ccc(C(=O)C2CCCCCC2)c(C)c1 ZINC000104007244 178372078 /nfs/dbraw/zinc/37/20/78/178372078.db2.gz SGHHZCZTBVXPMF-UHFFFAOYSA-N 0 0 230.351 4.457 10 0 BIAERN CCNc1cc(C(C)C)nc2c(F)cc(C)cc12 ZINC000104008274 170171181 /nfs/dbraw/zinc/17/11/81/170171181.db2.gz OZCCIWKADYJRBK-UHFFFAOYSA-N 0 0 246.329 4.238 10 0 BIAERN CCC(C)(C)[C@H](O)c1c(C)c(C)cc(C)c1C ZINC000104021734 168303991 /nfs/dbraw/zinc/30/39/91/168303991.db2.gz MDVGPPPQHYXGBJ-OAHLLOKOSA-N 0 0 234.383 4.390 10 0 BIAERN CCC(C)(C)[C@@H](O)c1c(C)c(C)cc(C)c1C ZINC000104021741 168303841 /nfs/dbraw/zinc/30/38/41/168303841.db2.gz MDVGPPPQHYXGBJ-HNNXBMFYSA-N 0 0 234.383 4.390 10 0 BIAERN Cc1cc(C)c(C)c([C@@H](O)CC(C)(C)C)c1C ZINC000104021753 177853535 /nfs/dbraw/zinc/85/35/35/177853535.db2.gz HXIGTMPZODJXNM-AWEZNQCLSA-N 0 0 234.383 4.390 10 0 BIAERN CCc1ccccc1CNc1ccccc1CC ZINC000104023820 171884014 /nfs/dbraw/zinc/88/40/14/171884014.db2.gz VHOYFTVELWKRNE-UHFFFAOYSA-N 0 0 239.362 4.424 10 0 BIAERN CCc1cccc(NCc2ccccc2CC)c1 ZINC000104025750 171863283 /nfs/dbraw/zinc/86/32/83/171863283.db2.gz WWERRVKLSGAOMZ-UHFFFAOYSA-N 0 0 239.362 4.424 10 0 BIAERN O[C@@H](C1=CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000104026076 183172914 /nfs/dbraw/zinc/17/29/14/183172914.db2.gz QVFYDDRVMMJKRT-AIWVUANBSA-N 0 0 246.394 4.064 10 0 BIAERN O[C@H](C1=CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000104026081 183218183 /nfs/dbraw/zinc/21/81/83/183218183.db2.gz QVFYDDRVMMJKRT-QUZGTJOHSA-N 0 0 246.394 4.064 10 0 BIAERN COc1cccc(NC2CCC(C(C)C)CC2)c1 ZINC000104029116 175278577 /nfs/dbraw/zinc/27/85/77/175278577.db2.gz GTSUQXSAYUFYIN-UHFFFAOYSA-N 0 0 247.382 4.322 10 0 BIAERN CCCCc1ccc(-c2ccc(N)c(F)c2)cc1 ZINC000104029250 169019556 /nfs/dbraw/zinc/01/95/56/169019556.db2.gz NCXPPOVTOXIUQL-UHFFFAOYSA-N 0 0 243.325 4.418 10 0 BIAERN CCCOc1cccc(NCCC(C)(C)C)c1 ZINC000104029954 169325974 /nfs/dbraw/zinc/32/59/74/169325974.db2.gz VFILLUJAGUPQKB-UHFFFAOYSA-N 0 0 235.371 4.324 10 0 BIAERN CC(C)c1cccc(N[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000104032927 167633662 /nfs/dbraw/zinc/63/36/62/167633662.db2.gz RSBVQXQLSZDOCG-BJJXKVORSA-N 0 0 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CC[C@H](C)[C@@H](O)c1c(C)c(C)c(C)c(C)c1C ZINC000104040837 171378376 /nfs/dbraw/zinc/37/83/76/171378376.db2.gz QTEZSMBQMVWJNI-XXFAHNHDSA-N 0 0 234.383 4.308 10 0 BIAERN Cc1ccc([C@H](O)C2CCCCCC2)c(C)c1 ZINC000104040846 178911381 /nfs/dbraw/zinc/91/13/81/178911381.db2.gz JSTSEKAOFHFWNK-MRXNPFEDSA-N 0 0 232.367 4.307 10 0 BIAERN Cc1ccc([C@@H](O)C2CCCCCC2)c(C)c1 ZINC000104040849 178863158 /nfs/dbraw/zinc/86/31/58/178863158.db2.gz JSTSEKAOFHFWNK-INIZCTEOSA-N 0 0 232.367 4.307 10 0 BIAERN CCCC[C@H](CC)[C@H](O)c1ccc2c(c1)CCC2 ZINC000104044320 169000722 /nfs/dbraw/zinc/00/07/22/169000722.db2.gz ARPCHSHMHZVVEH-GUYCJALGSA-N 0 0 246.394 4.425 10 0 BIAERN CCCC[C@@H](CC)[C@@H](O)c1ccc2c(c1)CCC2 ZINC000104044324 168960694 /nfs/dbraw/zinc/96/06/94/168960694.db2.gz ARPCHSHMHZVVEH-CXAGYDPISA-N 0 0 246.394 4.425 10 0 BIAERN CCCC[C@H](CC)[C@@H](O)c1ccc2c(c1)CCC2 ZINC000104044327 169001260 /nfs/dbraw/zinc/00/12/60/169001260.db2.gz ARPCHSHMHZVVEH-SUMWQHHRSA-N 0 0 246.394 4.425 10 0 BIAERN CC(C)Cc1ccc([C@H](O)CC2CCCC2)cc1 ZINC000104046142 187291291 /nfs/dbraw/zinc/29/12/91/187291291.db2.gz BBROJISHLWHCHN-QGZVFWFLSA-N 0 0 246.394 4.499 10 0 BIAERN CC(C)Cc1ccc([C@@H](O)CC2CCCC2)cc1 ZINC000104046149 188323974 /nfs/dbraw/zinc/32/39/74/188323974.db2.gz BBROJISHLWHCHN-KRWDZBQOSA-N 0 0 246.394 4.499 10 0 BIAERN O[C@H](CCC1CCCC1)c1ccc2c(c1)CCC2 ZINC000104046214 183218900 /nfs/dbraw/zinc/21/89/00/183218900.db2.gz JYMMHNQYJQCWDO-QGZVFWFLSA-N 0 0 244.378 4.179 10 0 BIAERN O[C@@H](CCC1CCCC1)c1ccc2c(c1)CCC2 ZINC000104046218 183172633 /nfs/dbraw/zinc/17/26/33/183172633.db2.gz JYMMHNQYJQCWDO-KRWDZBQOSA-N 0 0 244.378 4.179 10 0 BIAERN CC(C)Cc1ccc([C@@H](O)CC(C)(C)C)cc1 ZINC000104048114 187460436 /nfs/dbraw/zinc/46/04/36/187460436.db2.gz HCNGDGKOYKFCAT-HNNXBMFYSA-N 0 0 234.383 4.355 10 0 BIAERN C[C@H](Nc1ccc2c(c1)CCC2)C1CCCC1 ZINC000104049666 176934442 /nfs/dbraw/zinc/93/44/42/176934442.db2.gz JMGGYSHFQSWNAK-LBPRGKRZSA-N 0 0 229.367 4.166 10 0 BIAERN C[C@@H](Nc1ccc2c(c1)CCC2)C1CCCC1 ZINC000104049671 175932001 /nfs/dbraw/zinc/93/20/01/175932001.db2.gz JMGGYSHFQSWNAK-GFCCVEGCSA-N 0 0 229.367 4.166 10 0 BIAERN CCCOc1ccccc1N[C@@H](C)C1CCCC1 ZINC000104049967 169327477 /nfs/dbraw/zinc/32/74/77/169327477.db2.gz CPHUSZWFQWYMLU-ZDUSSCGKSA-N 0 0 247.382 4.466 10 0 BIAERN CCCOc1ccccc1N[C@H](C)C1CCCC1 ZINC000104049972 169327245 /nfs/dbraw/zinc/32/72/45/169327245.db2.gz CPHUSZWFQWYMLU-CYBMUJFWSA-N 0 0 247.382 4.466 10 0 BIAERN Cc1ccccc1SCc1c(N)cccc1F ZINC000104059458 188150469 /nfs/dbraw/zinc/15/04/69/188150469.db2.gz ZIXHEVPGYVQPEM-UHFFFAOYSA-N 0 0 247.338 4.009 10 0 BIAERN CC[C@H](Nc1cccc(Cl)n1)c1ccccc1 ZINC000104108194 587933605 /nfs/dbraw/zinc/93/36/05/587933605.db2.gz AEKUJLZAECEDAX-LBPRGKRZSA-N 0 0 246.741 4.298 10 0 BIAERN CC[C@@H](Nc1cccc(Cl)n1)c1ccccc1 ZINC000104108197 587933902 /nfs/dbraw/zinc/93/39/02/587933902.db2.gz AEKUJLZAECEDAX-GFCCVEGCSA-N 0 0 246.741 4.298 10 0 BIAERN CCC(C)(C)C(=O)c1c[nH]c2ccc(C)cc12 ZINC000104153511 168270091 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/nfs/dbraw/zinc/49/75/88/169497588.db2.gz LPNKLGXZVHVUIG-NSHDSACASA-N 0 0 248.395 4.385 10 0 BIAERN C1CCC(c2nnc(C3CCCCCC3)[nH]2)CC1 ZINC000104162611 188150659 /nfs/dbraw/zinc/15/06/59/188150659.db2.gz MMXNWFPMEIHKHH-UHFFFAOYSA-N 0 0 247.386 4.290 10 0 BIAERN CC1(Nc2nc3ccccc3s2)CCCCC1 ZINC000104163224 168065405 /nfs/dbraw/zinc/06/54/05/168065405.db2.gz ZCLMMIXVZVQGLI-UHFFFAOYSA-N 0 0 246.379 4.431 10 0 BIAERN CCc1[nH+]c2c(cccc2C(C)C)c(NC)c1C ZINC000104163582 172008754 /nfs/dbraw/zinc/00/87/54/172008754.db2.gz JZJDBOPAGZRVJJ-UHFFFAOYSA-N 0 0 242.366 4.271 10 0 BIAERN CC[C@H](C)[C@@H](C)n1c2ccc(C)cc2[nH]c1=S ZINC000104166645 171367529 /nfs/dbraw/zinc/36/75/29/171367529.db2.gz BISFTOSILTUBTR-WDEREUQCSA-N 0 0 248.395 4.241 10 0 BIAERN CC[C@H](C)[C@H](C)n1c2ccc(C)cc2[nH]c1=S ZINC000104166657 171392274 /nfs/dbraw/zinc/39/22/74/171392274.db2.gz BISFTOSILTUBTR-QWRGUYRKSA-N 0 0 248.395 4.241 10 0 BIAERN C[C@@H]1CCc2cccc(OCCC(C)(C)C)c2N1 ZINC000104168496 176240001 /nfs/dbraw/zinc/24/00/01/176240001.db2.gz TVGUITQUQIXEGD-GFCCVEGCSA-N 0 0 247.382 4.248 10 0 BIAERN C[C@H]1CCc2cccc(OCCC(C)(C)C)c2N1 ZINC000104168499 177210517 /nfs/dbraw/zinc/21/05/17/177210517.db2.gz TVGUITQUQIXEGD-LBPRGKRZSA-N 0 0 247.382 4.248 10 0 BIAERN Cc1cc2ccccc2nc1NC1CCCCC1 ZINC000104168595 178298531 /nfs/dbraw/zinc/29/85/31/178298531.db2.gz VHOCITWJZIHPJL-UHFFFAOYSA-N 0 0 240.350 4.288 10 0 BIAERN CCCNc1cc(-c2ccc(C(C)C)cc2)[nH]n1 ZINC000104169143 169293744 /nfs/dbraw/zinc/29/37/44/169293744.db2.gz ZHWSCTWFBNGCDD-UHFFFAOYSA-N 0 0 243.354 4.022 10 0 BIAERN C[C@H]1CCCC[C@@H]1Nc1cc[nH+]c2ccccc12 ZINC000104169894 177083711 /nfs/dbraw/zinc/08/37/11/177083711.db2.gz GWJNPPXPZQEUKE-JSGCOSHPSA-N 0 0 240.350 4.225 10 0 BIAERN C[C@H]1CCCC[C@H]1Nc1cc[nH+]c2ccccc12 ZINC000104169901 177089547 /nfs/dbraw/zinc/08/95/47/177089547.db2.gz GWJNPPXPZQEUKE-GXTWGEPZSA-N 0 0 240.350 4.225 10 0 BIAERN CCCNc1nc2ccc(CC)cc2cc1CC ZINC000104170719 169296535 /nfs/dbraw/zinc/29/65/35/169296535.db2.gz FMGNLHUFLYQWPH-UHFFFAOYSA-N 0 0 242.366 4.182 10 0 BIAERN CCCNc1nc2ccc(CCC)cc2cc1C ZINC000104172009 169296687 /nfs/dbraw/zinc/29/66/87/169296687.db2.gz PACCXISTKRBQIY-UHFFFAOYSA-N 0 0 242.366 4.318 10 0 BIAERN CCCCc1ccc2c(c1)[C@H](O)CC(C)(C)CC2 ZINC000104172690 169024032 /nfs/dbraw/zinc/02/40/32/169024032.db2.gz RXMUVUWDZACQCD-MRXNPFEDSA-N 0 0 246.394 4.425 10 0 BIAERN CCCCc1ccc2c(c1)[C@@H](O)CC(C)(C)CC2 ZINC000104172694 169024906 /nfs/dbraw/zinc/02/49/06/169024906.db2.gz RXMUVUWDZACQCD-INIZCTEOSA-N 0 0 246.394 4.425 10 0 BIAERN CC(C)c1ccc2c(c1)[C@@H](O)CC(C)(C)CC2 ZINC000104172702 167625223 /nfs/dbraw/zinc/62/52/23/167625223.db2.gz APFOLYULABIFNZ-HNNXBMFYSA-N 0 0 232.367 4.206 10 0 BIAERN CCNc1nc2c(F)ccc(C)c2cc1C(C)C ZINC000104173298 170176554 /nfs/dbraw/zinc/17/65/54/170176554.db2.gz MDVPARWXHQQKGZ-UHFFFAOYSA-N 0 0 246.329 4.238 10 0 BIAERN CC[C@@H](C)c1ccc2c(c1)C(=O)C[C@H](C)CC2 ZINC000104176377 170805643 /nfs/dbraw/zinc/80/56/43/170805643.db2.gz FTSSARZOAGCCEQ-VXGBXAGGSA-N 0 0 230.351 4.355 10 0 BIAERN CC[C@@H](C)c1ccc2c(c1)C(=O)C[C@@H](C)CC2 ZINC000104176386 170805684 /nfs/dbraw/zinc/80/56/84/170805684.db2.gz FTSSARZOAGCCEQ-NWDGAFQWSA-N 0 0 230.351 4.355 10 0 BIAERN CCNc1nc2c(Cl)cc(C)cc2cc1CC ZINC000104176984 170177471 /nfs/dbraw/zinc/17/74/71/170177471.db2.gz DXUNCLDKGSALFP-UHFFFAOYSA-N 0 0 248.757 4.191 10 0 BIAERN CCNc1nc2c(ccc(Cl)c2C)cc1CC ZINC000104176996 170177191 /nfs/dbraw/zinc/17/71/91/170177191.db2.gz VJYNPGCMHVYFOD-UHFFFAOYSA-N 0 0 248.757 4.191 10 0 BIAERN CC(C)Cc1ccc2c(c1)C(=O)CC(C)(C)CC2 ZINC000104177644 187460662 /nfs/dbraw/zinc/46/06/62/187460662.db2.gz ZBXCEJOMGMHDKA-UHFFFAOYSA-N 0 0 244.378 4.430 10 0 BIAERN CCCC[C@H](CC)[C@H](O)Cc1ccccc1C ZINC000104179144 169001074 /nfs/dbraw/zinc/00/10/74/169001074.db2.gz NRVDUYMXWXBPSH-GOEBONIOSA-N 0 0 234.383 4.115 10 0 BIAERN CCCC[C@@H](CC)[C@@H](O)Cc1ccccc1C ZINC000104179147 168960640 /nfs/dbraw/zinc/96/06/40/168960640.db2.gz NRVDUYMXWXBPSH-ZBFHGGJFSA-N 0 0 234.383 4.115 10 0 BIAERN CCCC[C@H](CC)[C@@H](O)Cc1ccccc1C ZINC000104179150 169000940 /nfs/dbraw/zinc/00/09/40/169000940.db2.gz NRVDUYMXWXBPSH-HOCLYGCPSA-N 0 0 234.383 4.115 10 0 BIAERN CCCC[C@@H](CC)COc1cccc(C=O)c1 ZINC000104179491 168958637 /nfs/dbraw/zinc/95/86/37/168958637.db2.gz MBEQVQXRRBNXBP-CYBMUJFWSA-N 0 0 234.339 4.094 10 0 BIAERN CCCNc1nc2ccc(Cl)cc2cc1CC ZINC000104179556 169296586 /nfs/dbraw/zinc/29/65/86/169296586.db2.gz ZDDQERAIPCCXJK-UHFFFAOYSA-N 0 0 248.757 4.273 10 0 BIAERN Cc1cccc(Oc2ccc(C=O)cc2C)c1C ZINC000104179977 188323920 /nfs/dbraw/zinc/32/39/20/188323920.db2.gz JZMPVAIAZZGHLQ-UHFFFAOYSA-N 0 0 240.302 4.217 10 0 BIAERN CCCc1cc2cc(C)cc(F)c2nc1NCC ZINC000104180667 169567836 /nfs/dbraw/zinc/56/78/36/169567836.db2.gz KLWIQMIHMNTNPT-UHFFFAOYSA-N 0 0 246.329 4.067 10 0 BIAERN CCCCc1ccc2nc(N)c(CCC)cc2c1 ZINC000104180679 169024371 /nfs/dbraw/zinc/02/43/71/169024371.db2.gz OTMHJCQAFMYFFF-UHFFFAOYSA-N 0 0 242.366 4.112 10 0 BIAERN CCCC[C@H](CC)[C@@H](O)Cc1cc(C)ccc1C ZINC000104181307 169000689 /nfs/dbraw/zinc/00/06/89/169000689.db2.gz BEMJNXHSUOBYIJ-RDJZCZTQSA-N 0 0 248.410 4.423 10 0 BIAERN CCCc1cc2cc(C(C)C)ccc2nc1NC ZINC000104181581 169567548 /nfs/dbraw/zinc/56/75/48/169567548.db2.gz MVGYDLMERPQBRQ-UHFFFAOYSA-N 0 0 242.366 4.352 10 0 BIAERN CCCNc1nc2ccc(C(C)C)cc2cc1C ZINC000104181583 169296337 /nfs/dbraw/zinc/29/63/37/169296337.db2.gz ATLRGSHLJJKMHH-UHFFFAOYSA-N 0 0 242.366 4.489 10 0 BIAERN CCCC[C@@H](CC)COc1cccc(C(C)=O)c1 ZINC000104182316 168958757 /nfs/dbraw/zinc/95/87/57/168958757.db2.gz ADLINTRJNBGGCE-CQSZACIVSA-N 0 0 248.366 4.484 10 0 BIAERN CCNc1nc2c(ccc(C)c2C)cc1C(C)C ZINC000104182409 170176753 /nfs/dbraw/zinc/17/67/53/170176753.db2.gz JNHMXVOYNQFNCO-UHFFFAOYSA-N 0 0 242.366 4.407 10 0 BIAERN C[C@@H]1CCC[C@@H]1Nc1ccccc1C(F)(F)F ZINC000104182878 176133229 /nfs/dbraw/zinc/13/32/29/176133229.db2.gz PYJDZJQKXBUGJD-KOLCDFICSA-N 0 0 243.272 4.306 10 0 BIAERN C[C@H]1CCC[C@@H]1Nc1ccccc1C(F)(F)F ZINC000104182880 177126769 /nfs/dbraw/zinc/12/67/69/177126769.db2.gz PYJDZJQKXBUGJD-ONGXEEELSA-N 0 0 243.272 4.306 10 0 BIAERN C[C@@H]1CCC[C@H]1Nc1ccccc1C(F)(F)F ZINC000104182883 176151196 /nfs/dbraw/zinc/15/11/96/176151196.db2.gz PYJDZJQKXBUGJD-MWLCHTKSSA-N 0 0 243.272 4.306 10 0 BIAERN C[C@H]1CCC[C@H]1Nc1ccccc1C(F)(F)F ZINC000104182885 177142774 /nfs/dbraw/zinc/14/27/74/177142774.db2.gz PYJDZJQKXBUGJD-GXSJLCMTSA-N 0 0 243.272 4.306 10 0 BIAERN CCCC[C@H](CC)[C@@H](O)Cc1cccc(C)c1 ZINC000104183121 169001298 /nfs/dbraw/zinc/00/12/98/169001298.db2.gz JWORJKGBEKYTID-HOTGVXAUSA-N 0 0 234.383 4.115 10 0 BIAERN CCCOc1cccc2cc(CC)c(Cl)nc21 ZINC000104183393 169326624 /nfs/dbraw/zinc/32/66/24/169326624.db2.gz OMVUXUWLLFQVQA-UHFFFAOYSA-N 0 0 249.741 4.239 10 0 BIAERN CCC(CC)CN(CC)c1ccc(C=O)c(C)c1 ZINC000104184648 168350852 /nfs/dbraw/zinc/35/08/52/168350852.db2.gz PVUFUCZXNWDUBP-UHFFFAOYSA-N 0 0 247.382 4.070 10 0 BIAERN CCNc1nc2c(C)cc(Cl)cc2cc1CC ZINC000104185334 170177455 /nfs/dbraw/zinc/17/74/55/170177455.db2.gz KUXYTCIPBOYWRG-UHFFFAOYSA-N 0 0 248.757 4.191 10 0 BIAERN CCNc1n[nH]c2c1CCCCCCCCCC2 ZINC000104186224 170170144 /nfs/dbraw/zinc/17/01/44/170170144.db2.gz BIEJUDBSTLBRIM-UHFFFAOYSA-N 0 0 249.402 4.061 10 0 BIAERN CCNc1nc2ccc([C@H](C)CC)cc2cc1C ZINC000104186312 170177725 /nfs/dbraw/zinc/17/77/25/170177725.db2.gz VJQNMADXHYQHGB-LLVKDONJSA-N 0 0 242.366 4.489 10 0 BIAERN CCNc1nc2ccc([C@@H](C)CC)cc2cc1C ZINC000104186316 170177624 /nfs/dbraw/zinc/17/76/24/170177624.db2.gz VJQNMADXHYQHGB-NSHDSACASA-N 0 0 242.366 4.489 10 0 BIAERN Cc1ccccc1Nc1ccc(N)cc1C(F)F ZINC000104205535 179308210 /nfs/dbraw/zinc/30/82/10/179308210.db2.gz KFPXSTPHINZXNQ-UHFFFAOYSA-N 0 0 248.276 4.258 10 0 BIAERN CC(C)C[C@@H](C)Nc1ccc(N)cc1C(F)F ZINC000104210299 188324343 /nfs/dbraw/zinc/32/43/43/188324343.db2.gz SGRXZTCYCNXCEA-SECBINFHSA-N 0 0 242.313 4.053 10 0 BIAERN CC(C)C[C@H](C)Nc1ccc(N)cc1C(F)F ZINC000104210304 188324316 /nfs/dbraw/zinc/32/43/16/188324316.db2.gz SGRXZTCYCNXCEA-VIFPVBQESA-N 0 0 242.313 4.053 10 0 BIAERN Cc1ccccc1Oc1ccc(N)cc1C(F)F ZINC000104221183 179313825 /nfs/dbraw/zinc/31/38/25/179313825.db2.gz YJONZMMFCCHMCR-UHFFFAOYSA-N 0 0 249.260 4.307 10 0 BIAERN O=C(Cc1csc2ccccc12)C1CCCC1 ZINC000104225320 182059680 /nfs/dbraw/zinc/05/96/80/182059680.db2.gz HSXXXBUICQUAQT-UHFFFAOYSA-N 0 0 244.359 4.203 10 0 BIAERN CC(C)C[C@@H](C)Oc1ccc(N)cc1C(F)F ZINC000104226126 188324408 /nfs/dbraw/zinc/32/44/08/188324408.db2.gz RJSUGIZPULYQNU-SECBINFHSA-N 0 0 243.297 4.020 10 0 BIAERN CC(C)C[C@H](C)Oc1ccc(N)cc1C(F)F ZINC000104226130 187460710 /nfs/dbraw/zinc/46/07/10/187460710.db2.gz RJSUGIZPULYQNU-VIFPVBQESA-N 0 0 243.297 4.020 10 0 BIAERN CCC[C@@H](C)C[C@H]([NH2+]C)c1cc(F)ccc1F ZINC000104238123 169361549 /nfs/dbraw/zinc/36/15/49/169361549.db2.gz UQULLGAMEIJLJD-YGRLFVJLSA-N 0 0 241.325 4.052 10 0 BIAERN CCC[C@@H](C)C[C@@H]([NH2+]C)c1cc(F)ccc1F ZINC000104238131 169361346 /nfs/dbraw/zinc/36/13/46/169361346.db2.gz UQULLGAMEIJLJD-QMTHXVAHSA-N 0 0 241.325 4.052 10 0 BIAERN Cc1ccc(C(=O)CCc2cccs2)cc1F ZINC000104268323 187292144 /nfs/dbraw/zinc/29/21/44/187292144.db2.gz OEFYPGFQWYLQKQ-UHFFFAOYSA-N 0 0 248.322 4.011 10 0 BIAERN Cc1cccc(Sc2ccc(C=O)cc2F)c1 ZINC000104284385 179176610 /nfs/dbraw/zinc/17/66/10/179176610.db2.gz SYNLJCUDJGSNDB-UHFFFAOYSA-N 0 0 246.306 4.098 10 0 BIAERN Cc1cc(Sc2ccccc2F)ccc1C=O ZINC000104290270 178219695 /nfs/dbraw/zinc/21/96/95/178219695.db2.gz WOEDVVKLMIJJAN-UHFFFAOYSA-N 0 0 246.306 4.098 10 0 BIAERN Cc1cc2ccccc2n1CCc1ccccc1 ZINC000104290696 178298492 /nfs/dbraw/zinc/29/84/92/178298492.db2.gz JZTVZVQKRAVQJH-UHFFFAOYSA-N 0 0 235.330 4.192 10 0 BIAERN Cc1cc2ccccc2n1CCC(C)(C)C ZINC000104293026 178297480 /nfs/dbraw/zinc/29/74/80/178297480.db2.gz CHMYKMSYVJUAQB-UHFFFAOYSA-N 0 0 215.340 4.386 10 0 BIAERN Cc1cc2ccccc2n1Cc1cccs1 ZINC000104293032 178298683 /nfs/dbraw/zinc/29/86/83/178298683.db2.gz QAJZFPKLDRBXKC-UHFFFAOYSA-N 0 0 227.332 4.060 10 0 BIAERN Cc1cc(C=O)ccc1Sc1ccc(F)cc1 ZINC000104295198 187804406 /nfs/dbraw/zinc/80/44/06/187804406.db2.gz DYVYVTKSRGAMCU-UHFFFAOYSA-N 0 0 246.306 4.098 10 0 BIAERN Cc1ccc(Sc2ccccc2[C@@H](C)O)cc1 ZINC000104297303 178829921 /nfs/dbraw/zinc/82/99/21/178829921.db2.gz WOEZZUHHIPFGIO-GFCCVEGCSA-N 0 0 244.359 4.200 10 0 BIAERN Cc1ccccc1CSc1ccccc1C=O ZINC000104297687 179287148 /nfs/dbraw/zinc/28/71/48/179287148.db2.gz FRCFVWGOLHHPBD-UHFFFAOYSA-N 0 0 242.343 4.100 10 0 BIAERN Cc1ccc(Sc2ccc([C@@H](C)O)cc2)cc1 ZINC000104298549 178830205 /nfs/dbraw/zinc/83/02/05/178830205.db2.gz SELDDCNCIFDSOL-GFCCVEGCSA-N 0 0 244.359 4.200 10 0 BIAERN CCC[C@@H](C)Cn1ccc2ccccc21 ZINC000104300478 169362396 /nfs/dbraw/zinc/36/23/96/169362396.db2.gz CJGSUEIPZGBZPM-GFCCVEGCSA-N 0 0 201.313 4.078 10 0 BIAERN C[C@H](O)c1ccc(Sc2ccc(F)cc2)cc1 ZINC000104300776 177017506 /nfs/dbraw/zinc/01/75/06/177017506.db2.gz YXGWSYDHWNUYFL-JTQLQIEISA-N 0 0 248.322 4.030 10 0 BIAERN Cc1ccccc1Sc1ccc(C=O)cc1F ZINC000104301165 179316404 /nfs/dbraw/zinc/31/64/04/179316404.db2.gz QUCQEWRVLVHQTJ-UHFFFAOYSA-N 0 0 246.306 4.098 10 0 BIAERN Cc1cc2ccccc2n1CCOCCC(C)C ZINC000104301561 178298413 /nfs/dbraw/zinc/29/84/13/178298413.db2.gz CUHXAUKVPUHALX-UHFFFAOYSA-N 0 0 245.366 4.012 10 0 BIAERN Cc1cc2ccccc2n1Cc1ccsc1 ZINC000104302635 178299050 /nfs/dbraw/zinc/29/90/50/178299050.db2.gz QWLRAYKVGRLYTJ-UHFFFAOYSA-N 0 0 227.332 4.060 10 0 BIAERN OC1(C[C@H]2CCCc3ccccc32)CCCCC1 ZINC000104319023 183021149 /nfs/dbraw/zinc/02/11/49/183021149.db2.gz JDUDKPUQNOHLFJ-OAHLLOKOSA-N 0 0 244.378 4.192 10 0 BIAERN OC1(C[C@@H]2CCCc3ccccc32)CCCCC1 ZINC000104319025 183022097 /nfs/dbraw/zinc/02/20/97/183022097.db2.gz JDUDKPUQNOHLFJ-HNNXBMFYSA-N 0 0 244.378 4.192 10 0 BIAERN O=C(C[C@H]1CCCc2ccccc21)C1CCCC1 ZINC000104325305 182029543 /nfs/dbraw/zinc/02/95/43/182029543.db2.gz MDJROUNJLKSTKC-OAHLLOKOSA-N 0 0 242.362 4.256 10 0 BIAERN O=C(C[C@@H]1CCCc2ccccc21)C1CCCC1 ZINC000104325308 182019990 /nfs/dbraw/zinc/01/99/90/182019990.db2.gz MDJROUNJLKSTKC-HNNXBMFYSA-N 0 0 242.362 4.256 10 0 BIAERN CC[C@@H]1CCCC[C@@H]1Oc1cccc([C@@H](C)O)c1 ZINC000104386363 170968171 /nfs/dbraw/zinc/96/81/71/170968171.db2.gz QLCXWXCPIVLRBD-IOASZLSFSA-N 0 0 248.366 4.088 10 0 BIAERN Cc1cccc(NCc2ccnc3ccccc23)c1 ZINC000104389010 179150636 /nfs/dbraw/zinc/15/06/36/179150636.db2.gz XNLSXDXMCFHCBE-UHFFFAOYSA-N 0 0 248.329 4.155 10 0 BIAERN Cc1ccccc1C[C@@H]1CCNc2ccccc21 ZINC000104389019 179289644 /nfs/dbraw/zinc/28/96/44/179289644.db2.gz XOPAICYUCFTYHS-HNNXBMFYSA-N 0 0 237.346 4.137 10 0 BIAERN Cc1ccccc1C[C@H]1CCNc2ccccc21 ZINC000104389022 179292279 /nfs/dbraw/zinc/29/22/79/179292279.db2.gz XOPAICYUCFTYHS-OAHLLOKOSA-N 0 0 237.346 4.137 10 0 BIAERN CC[C@H]1CCCC[C@@H]1Oc1cccc(O)c1C ZINC000104389522 171610646 /nfs/dbraw/zinc/61/06/46/171610646.db2.gz WEEZICVHRBWEDU-WFASDCNBSA-N 0 0 234.339 4.048 10 0 BIAERN Cc1cccc(C[C@@H]2CCNc3ccccc32)c1 ZINC000104389847 179104462 /nfs/dbraw/zinc/10/44/62/179104462.db2.gz UPCLRAOMAZDEDW-HNNXBMFYSA-N 0 0 237.346 4.137 10 0 BIAERN Cc1cccc(C[C@H]2CCNc3ccccc32)c1 ZINC000104389850 179105620 /nfs/dbraw/zinc/10/56/20/179105620.db2.gz UPCLRAOMAZDEDW-OAHLLOKOSA-N 0 0 237.346 4.137 10 0 BIAERN CCC(CC)[C@@H](C)n1c(C)cc2c1CCCC2=O ZINC000104407101 168398982 /nfs/dbraw/zinc/39/89/82/168398982.db2.gz MSZLKPCTNZCMPW-GFCCVEGCSA-N 0 0 247.382 4.313 10 0 BIAERN CCC(C)(C)C(=O)c1c[nH]c2ccc(Cl)cc12 ZINC000104411985 168270919 /nfs/dbraw/zinc/27/09/19/168270919.db2.gz XEDJZOLGLZUPGU-UHFFFAOYSA-N 0 0 249.741 4.440 10 0 BIAERN CC(C)(C)CC(=O)c1c[nH]c2ccc(Cl)cc12 ZINC000104411990 166552377 /nfs/dbraw/zinc/55/23/77/166552377.db2.gz UROGEPZTMDHBMP-UHFFFAOYSA-N 0 0 249.741 4.440 10 0 BIAERN CCC(CC)C(=O)c1c[nH]c2ccc(Cl)cc12 ZINC000104411996 168342498 /nfs/dbraw/zinc/34/24/98/168342498.db2.gz OPZGUUJEHICRGX-UHFFFAOYSA-N 0 0 249.741 4.440 10 0 BIAERN O[C@@H](C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000104415039 183173384 /nfs/dbraw/zinc/17/33/84/183173384.db2.gz AEVCLCRSKMLGFP-AIWVUANBSA-N 0 0 248.410 4.144 10 0 BIAERN O[C@H](C1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000104415042 183218314 /nfs/dbraw/zinc/21/83/14/183218314.db2.gz AEVCLCRSKMLGFP-QUZGTJOHSA-N 0 0 248.410 4.144 10 0 BIAERN CCC[C@@H](C)C(=O)c1c[nH]c2ccc(Cl)cc12 ZINC000104415134 169354559 /nfs/dbraw/zinc/35/45/59/169354559.db2.gz CIVVHSVNPKWWBC-SECBINFHSA-N 0 0 249.741 4.440 10 0 BIAERN CCCCCC(=O)c1c[nH]c2ccc(F)cc12 ZINC000104415737 168642758 /nfs/dbraw/zinc/64/27/58/168642758.db2.gz URSRMLYTHGOZNT-UHFFFAOYSA-N 0 0 233.286 4.070 10 0 BIAERN Cc1ccc(C[C@@H](O)C[C@@H](C)C(C)(C)C)cc1C ZINC000104432880 178648798 /nfs/dbraw/zinc/64/87/98/178648798.db2.gz LXWVRMDNTOLXQX-ZBFHGGJFSA-N 0 0 248.410 4.279 10 0 BIAERN CCC(CC)[C@@H](C)Nc1ccc2ccccc2n1 ZINC000104440851 168399135 /nfs/dbraw/zinc/39/91/35/168399135.db2.gz AJPKMBDMUOSHEV-GFCCVEGCSA-N 0 0 242.366 4.471 10 0 BIAERN C[C@@H](CC(=O)Cc1ccc(F)cc1)C(C)(C)C ZINC000104447929 175639867 /nfs/dbraw/zinc/63/98/67/175639867.db2.gz WSGYZBKUJNKEEB-NSHDSACASA-N 0 0 236.330 4.010 10 0 BIAERN C[C@H](CC(=O)Cc1ccc(F)cc1)C(C)(C)C ZINC000104447932 176597919 /nfs/dbraw/zinc/59/79/19/176597919.db2.gz WSGYZBKUJNKEEB-LLVKDONJSA-N 0 0 236.330 4.010 10 0 BIAERN Cc1ccc([C@H](O)C[C@H](C)C(C)(C)C)cc1C ZINC000104449038 178915691 /nfs/dbraw/zinc/91/56/91/178915691.db2.gz CZNMIADFVLVRMY-DZGCQCFKSA-N 0 0 234.383 4.409 10 0 BIAERN CC1(CNc2nc3ccccc3s2)CCCC1 ZINC000104449744 168050449 /nfs/dbraw/zinc/05/04/49/168050449.db2.gz KJBKCUJYJGQJRL-UHFFFAOYSA-N 0 0 246.379 4.289 10 0 BIAERN C[C@H](CC(=O)c1ccc(F)cc1F)C(C)(C)C ZINC000104450105 176604127 /nfs/dbraw/zinc/60/41/27/176604127.db2.gz DVBVYWPMWUGEPG-SECBINFHSA-N 0 0 240.293 4.220 10 0 BIAERN CCCCCCc1cc(SC)c(C)o1 ZINC000104833844 168680017 /nfs/dbraw/zinc/68/00/17/168680017.db2.gz QNTOGKYBKXEBGF-UHFFFAOYSA-N 0 0 212.358 4.433 10 0 BIAERN CCCCC1(Br)CCCCC1 ZINC000104836771 191065955 /nfs/dbraw/zinc/06/59/55/191065955.db2.gz AYDLJUDNRJRDCU-UHFFFAOYSA-N 0 0 219.166 4.274 10 0 BIAERN c1ccc2c(c1)-c1cccc3c1C2=CCC3 ZINC000104838857 191066762 /nfs/dbraw/zinc/06/67/62/191066762.db2.gz MBXXMPNBVQQJEL-UHFFFAOYSA-N 0 0 204.272 4.045 10 0 BIAERN CC1=C2CC[C@H](C)[C@@H]2[C@H]2[C@@H](CC1)C2(C)C ZINC000104890304 168091756 /nfs/dbraw/zinc/09/17/56/168091756.db2.gz WGTRJVCFDUCKCM-AHLTXXRQSA-N 0 0 204.357 4.415 10 0 BIAERN CCCCC(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000105281217 384861714 /nfs/dbraw/zinc/86/17/14/384861714.db2.gz LCJPVSLESAPYMK-MELADBBJSA-N 0 0 240.387 4.181 10 0 BIAERN CC(C)c1ccc([C@@H](C)Nc2nccs2)cc1 ZINC000105999384 588239530 /nfs/dbraw/zinc/23/95/30/588239530.db2.gz NIPQNEAZVSVXTC-LLVKDONJSA-N 0 0 246.379 4.440 10 0 BIAERN CC(C)c1ccc([C@H](C)Nc2nccs2)cc1 ZINC000105999387 588239535 /nfs/dbraw/zinc/23/95/35/588239535.db2.gz NIPQNEAZVSVXTC-NSHDSACASA-N 0 0 246.379 4.440 10 0 BIAERN FC(F)c1ccc(Cl)cc1Br ZINC000107267801 344481326 /nfs/dbraw/zinc/48/13/26/344481326.db2.gz ZNEQJQZXIMENQW-UHFFFAOYSA-N 0 0 241.462 4.040 10 0 BIAERN CC(C)c1ccc(-c2cn3ccsc3n2)cc1 ZINC000107875922 631767495 /nfs/dbraw/zinc/76/74/95/631767495.db2.gz FZDDKBNDIXCTKZ-UHFFFAOYSA-N 0 0 242.347 4.186 10 0 BIAERN COc1ccc(/C(C)=C/CC=C(C)C)cc1 ZINC000108749675 175045644 /nfs/dbraw/zinc/04/56/44/175045644.db2.gz YJCRWPSRQDGSKL-NTUHNPAUSA-N 0 0 216.324 4.455 10 0 BIAERN Cc1ccc(N)cc1-c1ccc(OC(C)C)cc1 ZINC000109436724 582811999 /nfs/dbraw/zinc/81/19/99/582811999.db2.gz JUNOSJRNNFAHLT-UHFFFAOYSA-N 0 0 241.334 4.031 10 0 BIAERN c1cc2c(c(NCC3CCCC3)c1)CCCC2 ZINC000109752547 183364749 /nfs/dbraw/zinc/36/47/49/183364749.db2.gz WOUXWQJNEDJTOP-UHFFFAOYSA-N 0 0 229.367 4.168 10 0 BIAERN C=CC(=O)N(CCCCCC)CCCCCC ZINC000109970462 368689146 /nfs/dbraw/zinc/68/91/46/368689146.db2.gz ZLSJVVLETDAEQY-UHFFFAOYSA-N 0 0 239.403 4.162 10 0 BIAERN CC(C)CC[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1O ZINC000109996872 166899120 /nfs/dbraw/zinc/89/91/20/166899120.db2.gz WTVRKOCWMAWNSU-BBWFWOEESA-N 0 0 246.394 4.367 10 0 BIAERN C/C(=C\Cc1ccccc1)c1ccccc1 ZINC000109998801 188337669 /nfs/dbraw/zinc/33/76/69/188337669.db2.gz HZVVYGOMBYKZGF-WYMLVPIESA-N 0 0 208.304 4.333 10 0 BIAERN CC(C)(C)[C@@H]1CC[C@H](O)[C@H](CC2CCCC2)C1 ZINC000110463797 188326441 /nfs/dbraw/zinc/32/64/41/188326441.db2.gz NZAHOMKOSWIEQB-KFWWJZLASA-N 0 0 238.415 4.390 10 0 BIAERN CC(C)(C)[C@@H]1CC[C@@H](O)[C@H](CC2CCCC2)C1 ZINC000110463801 187806958 /nfs/dbraw/zinc/80/69/58/187806958.db2.gz NZAHOMKOSWIEQB-RBSFLKMASA-N 0 0 238.415 4.390 10 0 BIAERN C1=C(C2=Cc3ccccc3C2)Cc2ccccc21 ZINC000110512098 368763765 /nfs/dbraw/zinc/76/37/65/368763765.db2.gz ZCVGHANYLFSGBU-UHFFFAOYSA-N 0 0 230.310 4.266 10 0 BIAERN CCCCC[C@H]1CCCc2ccccc2C1=O ZINC000111235528 168746328 /nfs/dbraw/zinc/74/63/28/168746328.db2.gz BSDPTNJWUQEZHJ-AWEZNQCLSA-N 0 0 230.351 4.402 10 0 BIAERN Cc1nc(C)c([C@H](C)Nc2ccccc2C)s1 ZINC000111359784 179920549 /nfs/dbraw/zinc/92/05/49/179920549.db2.gz AUHOPUQNWPRHGI-NSHDSACASA-N 0 0 246.379 4.241 10 0 BIAERN Cc1nc(C)c([C@@H](C)Nc2ccccc2C)s1 ZINC000111359787 383857667 /nfs/dbraw/zinc/85/76/67/383857667.db2.gz AUHOPUQNWPRHGI-LLVKDONJSA-N 0 0 246.379 4.241 10 0 BIAERN Cc1ccccc1CSc1ccc(C=O)cc1 ZINC000111526981 368858310 /nfs/dbraw/zinc/85/83/10/368858310.db2.gz HNRQETSUMRHHBI-UHFFFAOYSA-N 0 0 242.343 4.100 10 0 BIAERN C=Cc1ccccc1C(Cl)(Cl)Cl ZINC000111881300 188152817 /nfs/dbraw/zinc/15/28/17/188152817.db2.gz AHTDISBPEICIPT-UHFFFAOYSA-N 0 0 221.514 4.156 10 0 BIAERN c1csc(N[C@H]2CCCCc3ccccc32)n1 ZINC000112013371 588780168 /nfs/dbraw/zinc/78/01/68/588780168.db2.gz ZFDDUGZKEJVQFK-ZDUSSCGKSA-N 0 0 244.363 4.023 10 0 BIAERN c1csc(N[C@@H]2CCCCc3ccccc32)n1 ZINC000112013374 588780331 /nfs/dbraw/zinc/78/03/31/588780331.db2.gz ZFDDUGZKEJVQFK-CYBMUJFWSA-N 0 0 244.363 4.023 10 0 BIAERN FC(F)c1ccc(C(F)(F)F)cc1Cl ZINC000112731830 180909924 /nfs/dbraw/zinc/90/99/24/180909924.db2.gz ACMDDJGMJXEYPA-UHFFFAOYSA-N 0 0 230.563 4.296 10 0 BIAERN FC(F)c1c(Cl)cccc1C(F)(F)F ZINC000112731832 180909845 /nfs/dbraw/zinc/90/98/45/180909845.db2.gz IQBNUPUXFBFMPN-UHFFFAOYSA-N 0 0 230.563 4.296 10 0 BIAERN FC(F)c1cc(Br)ccc1Cl ZINC000112731922 180909196 /nfs/dbraw/zinc/90/91/96/180909196.db2.gz SLTHMVITKJWPRP-UHFFFAOYSA-N 0 0 241.462 4.040 10 0 BIAERN Cc1ccc(-c2ccccc2F)c(Cl)c1 ZINC000112733877 537822093 /nfs/dbraw/zinc/82/20/93/537822093.db2.gz XEZVWVLQIUCQOG-UHFFFAOYSA-N 0 0 220.674 4.455 10 0 BIAERN Cc1ccc(-c2cccc(F)c2)c(Cl)c1 ZINC000112733880 537821935 /nfs/dbraw/zinc/82/19/35/537821935.db2.gz RCGCQYRZJYCEPL-UHFFFAOYSA-N 0 0 220.674 4.455 10 0 BIAERN Cc1ccc(-c2ccccc2F)cc1Cl ZINC000112733903 537821880 /nfs/dbraw/zinc/82/18/80/537821880.db2.gz OSKCXIBTQIXBCP-UHFFFAOYSA-N 0 0 220.674 4.455 10 0 BIAERN Cc1ccc(-c2cccc(F)c2)cc1Cl ZINC000112733906 537822668 /nfs/dbraw/zinc/82/26/68/537822668.db2.gz DTNJAOAWBVEEQF-UHFFFAOYSA-N 0 0 220.674 4.455 10 0 BIAERN Cc1ccc(-c2ccccc2)cc1Cl ZINC000112734206 178326830 /nfs/dbraw/zinc/32/68/30/178326830.db2.gz KVNYALRENBPHIC-UHFFFAOYSA-N 0 0 202.684 4.315 10 0 BIAERN Cc1cc(Cl)cc(-c2ccccc2)c1 ZINC000112734209 178064047 /nfs/dbraw/zinc/06/40/47/178064047.db2.gz RSDOVYVJBBUUNX-UHFFFAOYSA-N 0 0 202.684 4.315 10 0 BIAERN Cc1cc(Cl)ccc1-c1ccccc1 ZINC000112734212 178065363 /nfs/dbraw/zinc/06/53/63/178065363.db2.gz DJPSGVHDXUACIA-UHFFFAOYSA-N 0 0 202.684 4.315 10 0 BIAERN Cc1c(F)c(F)c(-c2ccccc2)c(F)c1F ZINC000112734709 368874615 /nfs/dbraw/zinc/87/46/15/368874615.db2.gz WFMORUSGKDSJSD-UHFFFAOYSA-N 0 0 240.199 4.218 10 0 BIAERN O[C@@H](CC1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000112887470 183172726 /nfs/dbraw/zinc/17/27/26/183172726.db2.gz UMZRCFHNVYLEGF-KLZNEWFBSA-N 0 0 248.410 4.144 10 0 BIAERN O[C@H](CC1CCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000112887473 183218417 /nfs/dbraw/zinc/21/84/17/183218417.db2.gz UMZRCFHNVYLEGF-YYUOFMGYSA-N 0 0 248.410 4.144 10 0 BIAERN Cc1ccccc1[C@@H](C)Nc1cccc(Cl)n1 ZINC000113158550 588826173 /nfs/dbraw/zinc/82/61/73/588826173.db2.gz JIMBHBNHTMGDCT-LLVKDONJSA-N 0 0 246.741 4.217 10 0 BIAERN Cc1ccccc1[C@H](C)Nc1cccc(Cl)n1 ZINC000113158554 588826077 /nfs/dbraw/zinc/82/60/77/588826077.db2.gz JIMBHBNHTMGDCT-NSHDSACASA-N 0 0 246.741 4.217 10 0 BIAERN CCc1ccc(Cc2c[nH]c3ccccc23)cc1 ZINC000113209692 368887996 /nfs/dbraw/zinc/88/79/96/368887996.db2.gz IQQLPUQRWUGBLS-UHFFFAOYSA-N 0 0 235.330 4.321 10 0 BIAERN CCCCCc1ccc(Br)cc1F ZINC000113338480 383976298 /nfs/dbraw/zinc/97/62/98/383976298.db2.gz KXFJNXXTTNGXTQ-UHFFFAOYSA-N 0 0 245.135 4.321 10 0 BIAERN COc1ccc(-c2ccc3ccccc3c2)c(N)c1 ZINC000113350569 368890424 /nfs/dbraw/zinc/89/04/24/368890424.db2.gz LWRWXMKHARJMJE-UHFFFAOYSA-N 0 0 249.313 4.098 10 0 BIAERN Cc1c(Cl)nc2cc(F)cc(F)c2c1Cl ZINC000113384590 525791439 /nfs/dbraw/zinc/79/14/39/525791439.db2.gz PDWGALDZWMKKFJ-UHFFFAOYSA-N 0 0 248.059 4.128 10 0 BIAERN CC/C=C/c1c(Cl)cccc1Cl ZINC000113414745 345753606 /nfs/dbraw/zinc/75/36/06/345753606.db2.gz LNFPJUUVEYZDRI-HWKANZROSA-N 0 0 201.096 4.417 10 0 BIAERN CCCc1cccc(OCc2ccccc2)c1 ZINC000113585908 345754236 /nfs/dbraw/zinc/75/42/36/345754236.db2.gz JXWILKNRPUMKIG-UHFFFAOYSA-N 0 0 226.319 4.218 10 0 BIAERN CCc1ccc(-c2ccc(C(C)=O)s2)s1 ZINC000113684395 368901491 /nfs/dbraw/zinc/90/14/91/368901491.db2.gz GWORCQYQXQQGKM-UHFFFAOYSA-N 0 0 236.361 4.242 10 0 BIAERN COc1ccc(C(C)C)cc1-c1ccccc1N ZINC000113736297 345754960 /nfs/dbraw/zinc/75/49/60/345754960.db2.gz WORHZZHTCZPEHU-UHFFFAOYSA-N 0 0 241.334 4.068 10 0 BIAERN CC(C)c1cccc(-c2ccccc2N)c1 ZINC000113738121 411247566 /nfs/dbraw/zinc/24/75/66/411247566.db2.gz TXYSVPKAWNYHLA-UHFFFAOYSA-N 0 0 211.308 4.059 10 0 BIAERN Nc1cc(/C=C/c2ccccc2)ccc1Cl ZINC000113869032 368910382 /nfs/dbraw/zinc/91/03/82/368910382.db2.gz AHGLTUVAORTCRO-VOTSOKGWSA-N 0 0 229.710 4.093 10 0 BIAERN Nc1ccc2c(cccc2-c2ccccc2)c1 ZINC000114121298 347352540 /nfs/dbraw/zinc/35/25/40/347352540.db2.gz UFTVMBIIDZCELM-UHFFFAOYSA-N 0 0 219.287 4.089 10 0 BIAERN Clc1nnc(-c2ccccc2)c2ccsc21 ZINC000114141319 344683460 /nfs/dbraw/zinc/68/34/60/344683460.db2.gz ZCLUZNINDRXIGT-UHFFFAOYSA-N 0 0 246.722 4.012 10 0 BIAERN CCCCc1ccccc1[C@@H](O)c1ccccc1 ZINC000114156179 345756102 /nfs/dbraw/zinc/75/61/02/345756102.db2.gz VMPYPHHRBWPGBE-KRWDZBQOSA-N 0 0 240.346 4.111 10 0 BIAERN CCCCc1ccccc1[C@H](O)c1ccccc1 ZINC000114156181 345755827 /nfs/dbraw/zinc/75/58/27/345755827.db2.gz VMPYPHHRBWPGBE-QGZVFWFLSA-N 0 0 240.346 4.111 10 0 BIAERN C[C@@H](c1ncc[nH]1)c1cccc(-c2ccccc2)c1 ZINC000114420514 368939064 /nfs/dbraw/zinc/93/90/64/368939064.db2.gz KESQTIKKDRZBDQ-CYBMUJFWSA-N 0 0 248.329 4.229 10 0 BIAERN C[C@H](c1ncc[nH]1)c1cccc(-c2ccccc2)c1 ZINC000114420516 368938208 /nfs/dbraw/zinc/93/82/08/368938208.db2.gz KESQTIKKDRZBDQ-ZDUSSCGKSA-N 0 0 248.329 4.229 10 0 BIAERN Clc1ccnc2cc(-c3ccccc3)oc21 ZINC000114456389 368342018 /nfs/dbraw/zinc/34/20/18/368342018.db2.gz ARVIIDAREGFTMR-UHFFFAOYSA-N 0 0 229.666 4.148 10 0 BIAERN Cc1ccc2c(c1)nccc2-c1ccc(F)cc1 ZINC000114524519 368943709 /nfs/dbraw/zinc/94/37/09/368943709.db2.gz LDOUATPOBZGWHN-UHFFFAOYSA-N 0 0 237.277 4.349 10 0 BIAERN Cc1ccc2c(c1)nccc2-c1ccccc1 ZINC000114526155 368341520 /nfs/dbraw/zinc/34/15/20/368341520.db2.gz HWXKXYAHKIXHJS-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN CCCCCc1nc(Cl)c2ccccc2n1 ZINC000114598799 583123642 /nfs/dbraw/zinc/12/36/42/583123642.db2.gz GLSCMSAORLLTLP-UHFFFAOYSA-N 0 0 234.730 4.016 10 0 BIAERN CC(C)C[C@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@@]21C ZINC000114641258 368946146 /nfs/dbraw/zinc/94/61/46/368946146.db2.gz PQABOQZDEWPDNK-KNCOVGOOSA-N 0 0 236.399 4.454 10 0 BIAERN CC(C)C[C@H](C)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C ZINC000114642699 344486177 /nfs/dbraw/zinc/48/61/77/344486177.db2.gz NTSBKVJMFYUVPS-XFIYOXNOSA-N 0 0 238.415 4.246 10 0 BIAERN CC(=O)c1cc(Cl)ccc1Nc1ccccc1 ZINC000114700187 368948448 /nfs/dbraw/zinc/94/84/48/368948448.db2.gz WQBRBVKORSMFNB-UHFFFAOYSA-N 0 0 245.709 4.286 10 0 BIAERN CC1(C)c2ccccc2C(C)(C)C1(C)C ZINC000114888314 368956464 /nfs/dbraw/zinc/95/64/64/368956464.db2.gz WLALVCDHIGUUDM-UHFFFAOYSA-N 0 0 202.341 4.282 10 0 BIAERN COc1ccc(-c2sccc2C)c(C)c1 ZINC000114920115 368958774 /nfs/dbraw/zinc/95/87/74/368958774.db2.gz IDCGYJXCCXTKLG-UHFFFAOYSA-N 0 0 218.321 4.041 10 0 BIAERN Brc1ccc2c3c(cccc31)C=C2 ZINC000114920443 368959371 /nfs/dbraw/zinc/95/93/71/368959371.db2.gz PSRUTZHGMSPRPZ-UHFFFAOYSA-N 0 0 231.092 4.086 10 0 BIAERN Cc1ccc2cc(-c3ccccc3)ccc2n1 ZINC000114965925 368964675 /nfs/dbraw/zinc/96/46/75/368964675.db2.gz OJBUSRSQFAUHPW-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN Cc1cc(-c2ccccn2)cc(-c2ccccn2)c1 ZINC000114983241 347354386 /nfs/dbraw/zinc/35/43/86/347354386.db2.gz DWIULLDYVPWADD-UHFFFAOYSA-N 0 0 246.313 4.119 10 0 BIAERN CCC(C)(C)[C@H]1CC[C@H]2C(=O)CCC[C@@]21C ZINC000115095667 368973355 /nfs/dbraw/zinc/97/33/55/368973355.db2.gz OQGDRAKKVZILJJ-LNSITVRQSA-N 0 0 222.372 4.208 10 0 BIAERN CSC1(C)c2ccccc2-c2ccccc21 ZINC000115250320 344706323 /nfs/dbraw/zinc/70/63/23/344706323.db2.gz LCMVLTXESYDATE-UHFFFAOYSA-N 0 0 226.344 4.294 10 0 BIAERN C=Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC000115285934 346866750 /nfs/dbraw/zinc/86/67/50/346866750.db2.gz OORQYOFWWGXORI-UHFFFAOYSA-N 0 0 207.487 4.290 10 0 BIAERN CCC/C=C/CC/C=C/CCCCOC(C)=O ZINC000115798528 369008218 /nfs/dbraw/zinc/00/82/18/369008218.db2.gz FPIQRKOQQGYNLX-QPHGKBKNSA-N 0 0 238.371 4.413 10 0 BIAERN CC(C)(C)c1ccccc1Oc1sccc1N ZINC000115816888 369007804 /nfs/dbraw/zinc/00/78/04/369007804.db2.gz OOUZDIHKZDEPPP-UHFFFAOYSA-N 0 0 247.363 4.420 10 0 BIAERN CC1=CCC[C@@H](CCOCc2ccccc2)C1 ZINC000115905622 369012619 /nfs/dbraw/zinc/01/26/19/369012619.db2.gz GBCFJGPDSLVMSK-HNNXBMFYSA-N 0 0 230.351 4.340 10 0 BIAERN CC1=CCC[C@H](CCOCc2ccccc2)C1 ZINC000115905625 369013162 /nfs/dbraw/zinc/01/31/62/369013162.db2.gz GBCFJGPDSLVMSK-OAHLLOKOSA-N 0 0 230.351 4.340 10 0 BIAERN Cc1cc(C)cc(Sc2ccccc2N)c1 ZINC000115907603 347079384 /nfs/dbraw/zinc/07/93/84/347079384.db2.gz NAOBHUAJFVHWRW-UHFFFAOYSA-N 0 0 229.348 4.037 10 0 BIAERN Clc1cc2ccsc2c(Br)c1 ZINC000115954077 347356226 /nfs/dbraw/zinc/35/62/26/347356226.db2.gz INZLVUHXYROTAK-UHFFFAOYSA-N 0 0 247.544 4.317 10 0 BIAERN CCCC/C=C/c1ccncc1Br ZINC000115986402 168588267 /nfs/dbraw/zinc/58/82/67/168588267.db2.gz ZACJNPJOEUYPNN-AATRIKPKSA-N 0 0 240.144 4.048 10 0 BIAERN CC1(C)C=C(c2ccccc2N)CC(C)(C)C1 ZINC000116205707 344727838 /nfs/dbraw/zinc/72/78/38/344727838.db2.gz IQIFTWXRTGJWRF-UHFFFAOYSA-N 0 0 229.367 4.498 10 0 BIAERN Cc1c2cc(Cl)ccc2[nH]c1-c1cccnc1 ZINC000116645472 342931965 /nfs/dbraw/zinc/93/19/65/342931965.db2.gz RWOARKMIMAUNKD-UHFFFAOYSA-N 0 0 242.709 4.192 10 0 BIAERN N#C/C(=C\CC1CC1)c1ccc(Cl)cc1F ZINC000116671441 345756342 /nfs/dbraw/zinc/75/63/42/345756342.db2.gz UOFXFVDXMCIXLM-ONNFQVAWSA-N 0 0 235.689 4.186 10 0 BIAERN Fc1ccc(Oc2cccc3ncccc32)cc1 ZINC000116674690 342932359 /nfs/dbraw/zinc/93/23/59/342932359.db2.gz NZSZOXVFZOTQNK-UHFFFAOYSA-N 0 0 239.249 4.166 10 0 BIAERN CC(C)(C)Cc1ccccc1Br ZINC000116863899 488170808 /nfs/dbraw/zinc/17/08/08/488170808.db2.gz UVOQVUNTVNFDKQ-UHFFFAOYSA-N 0 0 227.145 4.038 10 0 BIAERN CC1(C)c2cccc3c2-c2c1cccc2CC3 ZINC000116880124 342938453 /nfs/dbraw/zinc/93/84/53/342938453.db2.gz VLGGPAFVKFUPBG-UHFFFAOYSA-N 0 0 220.315 4.092 10 0 BIAERN Clc1cnc2[nH]ccc2c1C1=CCCCC1 ZINC000116938301 342939397 /nfs/dbraw/zinc/93/93/97/342939397.db2.gz SHBKOFAYRWXBHT-UHFFFAOYSA-N 0 0 232.714 4.174 10 0 BIAERN CCc1cccc(CC)c1-c1cccc(C=O)c1 ZINC000116990495 342940230 /nfs/dbraw/zinc/94/02/30/342940230.db2.gz WYUQOBQMWJYYCD-UHFFFAOYSA-N 0 0 238.330 4.291 10 0 BIAERN Cc1ccc(-c2cnc(Cl)s2)c(C)c1 ZINC000116993314 541313150 /nfs/dbraw/zinc/31/31/50/541313150.db2.gz VYLUUPQJTOZHCP-UHFFFAOYSA-N 0 0 223.728 4.080 10 0 BIAERN CC(C)c1nnc(Cl)c2c1C1CCC2CC1 ZINC000117123806 342944658 /nfs/dbraw/zinc/94/46/58/342944658.db2.gz MHIBEILPWRGASD-UHFFFAOYSA-N 0 0 236.746 4.008 10 0 BIAERN Oc1ccc(CCCCCc2ccccc2)cc1 ZINC000117282312 342959827 /nfs/dbraw/zinc/95/98/27/342959827.db2.gz QMEJLBAKRCZJSZ-UHFFFAOYSA-N 0 0 240.346 4.348 10 0 BIAERN CCc1sc(C(C)=O)c2c1CC(C)(C)CC2 ZINC000117329749 342970011 /nfs/dbraw/zinc/97/00/11/342970011.db2.gz VZJCFNLGSYFNIT-UHFFFAOYSA-N 0 0 236.380 4.028 10 0 BIAERN Cc1ccc2nc(-c3ccccc3)c(C=O)cc2c1 ZINC000117435939 342994630 /nfs/dbraw/zinc/99/46/30/342994630.db2.gz BGZFJRLYTDERBU-UHFFFAOYSA-N 0 0 247.297 4.023 10 0 BIAERN Cc1cccc(Cl)c1C#Cc1ccccc1 ZINC000117535189 343002901 /nfs/dbraw/zinc/00/29/01/343002901.db2.gz CKNUBXQGIYHUJM-UHFFFAOYSA-N 0 0 226.706 4.048 10 0 BIAERN CCCCCC#Cc1ccccc1Cl ZINC000117535563 343003042 /nfs/dbraw/zinc/00/30/42/343003042.db2.gz IFSDPYGWLUHNOF-UHFFFAOYSA-N 0 0 206.716 4.272 10 0 BIAERN CC1(C)CCCc2ccc(Br)cc21 ZINC000117775771 167916091 /nfs/dbraw/zinc/91/60/91/167916091.db2.gz VUAGQOMMVXBEDN-UHFFFAOYSA-N 0 0 239.156 4.063 10 0 BIAERN Cc1cccc(C)c1-c1cc(CO)ccc1Cl ZINC000117815450 343017732 /nfs/dbraw/zinc/01/77/32/343017732.db2.gz GUZFJZGFXBIXCI-UHFFFAOYSA-N 0 0 246.737 4.116 10 0 BIAERN Cc1ncccc1C(C)(C)c1ccc(Cl)cc1 ZINC000117972976 343027589 /nfs/dbraw/zinc/02/75/89/343027589.db2.gz YIEHAJMSZREBQD-UHFFFAOYSA-N 0 0 245.753 4.369 10 0 BIAERN C=Cc1cccc2c3ccccc3n(CC)c21 ZINC000118135817 188509418 /nfs/dbraw/zinc/50/94/18/188509418.db2.gz OWWXMYJVBWPIJA-UHFFFAOYSA-N 0 0 221.303 4.457 10 0 BIAERN Cc1c(O)c2cc(Cl)ccc2cc1CCl ZINC000118222011 345756473 /nfs/dbraw/zinc/75/64/73/345756473.db2.gz XMRPNICAJXLLSW-UHFFFAOYSA-N 0 0 241.117 4.246 10 0 BIAERN c1cc2cccc(OCc3ccccc3)c2s1 ZINC000118232251 344786754 /nfs/dbraw/zinc/78/67/54/344786754.db2.gz MENNKSGZSXHCJQ-UHFFFAOYSA-N 0 0 240.327 4.480 10 0 BIAERN CCC(=O)c1ccc2c(Cl)cccc2c1 ZINC000118528644 343047904 /nfs/dbraw/zinc/04/79/04/343047904.db2.gz HMRDPBKPNHBYLQ-UHFFFAOYSA-N 0 0 218.683 4.086 10 0 BIAERN CC(C)c1ccc(Br)c2cc[nH]c21 ZINC000118774271 188154037 /nfs/dbraw/zinc/15/40/37/188154037.db2.gz NDLDXNCOVYZHHV-UHFFFAOYSA-N 0 0 238.128 4.054 10 0 BIAERN CCCc1cc(Oc2ccc(F)cc2)ccc1O ZINC000118833796 343057838 /nfs/dbraw/zinc/05/78/38/343057838.db2.gz WGIKVYMJSVTHEV-UHFFFAOYSA-N 0 0 246.281 4.276 10 0 BIAERN Cc1cc(Br)ccc1SC1CC1 ZINC000118838179 343276705 /nfs/dbraw/zinc/27/67/05/343276705.db2.gz PYJFNOCHGBJBMH-UHFFFAOYSA-N 0 0 243.169 4.012 10 0 BIAERN FC(F)c1ccc(Br)cc1Cl ZINC000118841509 537928086 /nfs/dbraw/zinc/92/80/86/537928086.db2.gz IKDKWKXUJCNIFU-UHFFFAOYSA-N 0 0 241.462 4.040 10 0 BIAERN CC(C)c1ccc(Br)cc1Cl ZINC000118841546 537929191 /nfs/dbraw/zinc/92/91/91/537929191.db2.gz UDRVPKVLWXZFFW-UHFFFAOYSA-N 0 0 233.536 4.226 10 0 BIAERN Cc1ccccc1N[C@@H]1CCCc2occc21 ZINC000123904561 324605436 /nfs/dbraw/zinc/60/54/36/324605436.db2.gz AYIVLQKFPJVVMP-CQSZACIVSA-N 0 0 227.307 4.078 10 0 BIAERN Cc1ccccc1N[C@H]1CCCc2occc21 ZINC000123904752 324605527 /nfs/dbraw/zinc/60/55/27/324605527.db2.gz AYIVLQKFPJVVMP-AWEZNQCLSA-N 0 0 227.307 4.078 10 0 BIAERN Cc1ccc2cc(-c3cccc(C=O)c3)ccc2n1 ZINC000124184788 589959005 /nfs/dbraw/zinc/95/90/05/589959005.db2.gz GDOMSQFNWACLJF-UHFFFAOYSA-N 0 0 247.297 4.023 10 0 BIAERN Cc1ccc2cc(-c3ccccc3C=O)ccc2n1 ZINC000124185100 589958886 /nfs/dbraw/zinc/95/88/86/589958886.db2.gz MWBMYHOHTFNHCD-UHFFFAOYSA-N 0 0 247.297 4.023 10 0 BIAERN O=C(CC1CCCCCC1)C1CCCC1 ZINC000127266568 345169382 /nfs/dbraw/zinc/16/93/82/345169382.db2.gz IZWIUKCMCDGZQF-UHFFFAOYSA-N 0 0 208.345 4.106 10 0 BIAERN Cc1ccsc1C(=O)C=C1CCCCC1 ZINC000128219257 345616970 /nfs/dbraw/zinc/61/69/70/345616970.db2.gz BWEFYXRFFJRLOE-UHFFFAOYSA-N 0 0 220.337 4.130 10 0 BIAERN CC(C)(C)C(=O)c1cc2c(cccc2Cl)o1 ZINC000128416591 538562334 /nfs/dbraw/zinc/56/23/34/538562334.db2.gz LXINFYGNQZHXDE-UHFFFAOYSA-N 0 0 236.698 4.315 10 0 BIAERN Clc1cccc(Cl)c1Cc1nccs1 ZINC000128497167 348594910 /nfs/dbraw/zinc/59/49/10/348594910.db2.gz LFLZZIULSCMJDT-UHFFFAOYSA-N 0 0 244.146 4.041 10 0 BIAERN CC(C)C[C@@H](C)Nc1cccc(C(F)F)c1 ZINC000128628335 388778339 /nfs/dbraw/zinc/77/83/39/388778339.db2.gz SFXGDIXGRIOEKH-SNVBAGLBSA-N 0 0 227.298 4.471 10 0 BIAERN CC(C)C[C@H](C)Nc1cccc(C(F)F)c1 ZINC000128628538 324860912 /nfs/dbraw/zinc/86/09/12/324860912.db2.gz SFXGDIXGRIOEKH-JTQLQIEISA-N 0 0 227.298 4.471 10 0 BIAERN CC(C)Oc1ccccc1C(=O)C1CCCCC1 ZINC000129558983 353386906 /nfs/dbraw/zinc/38/69/06/353386906.db2.gz HEVREICFIZVPOB-UHFFFAOYSA-N 0 0 246.350 4.237 10 0 BIAERN Cc1ccccc1[C@@H](C)Nc1ccnc(Cl)c1 ZINC000129660527 179322651 /nfs/dbraw/zinc/32/26/51/179322651.db2.gz SUXQDJJUFVHMBP-LLVKDONJSA-N 0 0 246.741 4.217 10 0 BIAERN Cc1ccccc1[C@H](C)Nc1ccnc(Cl)c1 ZINC000129660732 179340410 /nfs/dbraw/zinc/34/04/10/179340410.db2.gz SUXQDJJUFVHMBP-NSHDSACASA-N 0 0 246.741 4.217 10 0 BIAERN Cc1ccc(C=O)c(-c2ccc(Cl)s2)c1 ZINC000129713751 355948552 /nfs/dbraw/zinc/94/85/52/355948552.db2.gz RTGPFJIYBVMQIC-UHFFFAOYSA-N 0 0 236.723 4.189 10 0 BIAERN Cc1cscc1NCc1cccc2[nH]ccc21 ZINC000129801546 388870374 /nfs/dbraw/zinc/87/03/74/388870374.db2.gz BOFZTQWLFBDVSI-UHFFFAOYSA-N 0 0 242.347 4.150 10 0 BIAERN CC[C@H](Nc1ccnc(Cl)c1)c1ccccc1 ZINC000129854437 591414854 /nfs/dbraw/zinc/41/48/54/591414854.db2.gz GYAFYVIYLJORGG-ZDUSSCGKSA-N 0 0 246.741 4.298 10 0 BIAERN CC[C@@H](Nc1ccnc(Cl)c1)c1ccccc1 ZINC000129854642 591414300 /nfs/dbraw/zinc/41/43/00/591414300.db2.gz GYAFYVIYLJORGG-CYBMUJFWSA-N 0 0 246.741 4.298 10 0 BIAERN CC(C)CC(=O)c1cc2cc(Cl)ccc2o1 ZINC000131637114 538597465 /nfs/dbraw/zinc/59/74/65/538597465.db2.gz BUAJGVFCSZLRCL-UHFFFAOYSA-N 0 0 236.698 4.315 10 0 BIAERN CC(C)CC(=O)c1cc2cccc(Cl)c2o1 ZINC000131637774 538598197 /nfs/dbraw/zinc/59/81/97/538598197.db2.gz MVWJHCOUIXBNHV-UHFFFAOYSA-N 0 0 236.698 4.315 10 0 BIAERN CC[C@@H](C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000131643889 538597335 /nfs/dbraw/zinc/59/73/35/538597335.db2.gz HRVYCGCCNQUAFX-MRVPVSSYSA-N 0 0 236.698 4.315 10 0 BIAERN CC[C@H](C)C(=O)c1cc2cc(Cl)ccc2o1 ZINC000131644060 538596269 /nfs/dbraw/zinc/59/62/69/538596269.db2.gz HRVYCGCCNQUAFX-QMMMGPOBSA-N 0 0 236.698 4.315 10 0 BIAERN CC[C@@H](C)C(=O)c1cc2cccc(Cl)c2o1 ZINC000131645150 538597618 /nfs/dbraw/zinc/59/76/18/538597618.db2.gz FRXFFMBFCSXDIX-MRVPVSSYSA-N 0 0 236.698 4.315 10 0 BIAERN CC[C@H](C)C(=O)c1cc2cccc(Cl)c2o1 ZINC000131645335 538597044 /nfs/dbraw/zinc/59/70/44/538597044.db2.gz FRXFFMBFCSXDIX-QMMMGPOBSA-N 0 0 236.698 4.315 10 0 BIAERN O=C(CC1CC1)c1cc2cc(Cl)ccc2o1 ZINC000131666923 538597602 /nfs/dbraw/zinc/59/76/02/538597602.db2.gz WSHQPNLLXHHQJC-UHFFFAOYSA-N 0 0 234.682 4.069 10 0 BIAERN O=C(CC1CC1)c1cc2cccc(Cl)c2o1 ZINC000131667603 538110523 /nfs/dbraw/zinc/11/05/23/538110523.db2.gz QPVIYRTVZZVNRO-UHFFFAOYSA-N 0 0 234.682 4.069 10 0 BIAERN CC(C)C1CCC(c2nccs2)CC1 ZINC000131882422 371704940 /nfs/dbraw/zinc/70/49/40/371704940.db2.gz MRIYQWGMUAZHEO-UHFFFAOYSA-N 0 0 209.358 4.073 10 0 BIAERN CC(C)c1csc(-c2ccc(F)cc2F)n1 ZINC000131934957 538595615 /nfs/dbraw/zinc/59/56/15/538595615.db2.gz HOPUTBYXQBWFNF-UHFFFAOYSA-N 0 0 239.290 4.212 10 0 BIAERN CC(C)c1csc(-c2cc(F)cc(F)c2)n1 ZINC000131944536 541349310 /nfs/dbraw/zinc/34/93/10/541349310.db2.gz YDBFOFIHBLAPBJ-UHFFFAOYSA-N 0 0 239.290 4.212 10 0 BIAERN Cc1ccc(-c2nc(C(C)C)cs2)cc1F ZINC000131967605 538595696 /nfs/dbraw/zinc/59/56/96/538595696.db2.gz ADXWDSIXSJXFRH-UHFFFAOYSA-N 0 0 235.327 4.381 10 0 BIAERN Cc1cc(Cl)c(NC(C)C)cc1Cl ZINC000132034912 371744698 /nfs/dbraw/zinc/74/46/98/371744698.db2.gz BQBNVFZGVKDSAJ-UHFFFAOYSA-N 0 0 218.127 4.122 10 0 BIAERN CCCNc1cc(Cl)c(C)cc1Cl ZINC000132046700 371748546 /nfs/dbraw/zinc/74/85/46/371748546.db2.gz MNBNPEJLBORKOW-UHFFFAOYSA-N 0 0 218.127 4.124 10 0 BIAERN Cc1cc(Cl)c(NCC2CC2)cc1Cl ZINC000132074008 371750399 /nfs/dbraw/zinc/75/03/99/371750399.db2.gz ACVYNZVOVKUJAZ-UHFFFAOYSA-N 0 0 230.138 4.124 10 0 BIAERN Cc1cc(Cl)c2c(c1Cl)C(C)(C)CN2 ZINC000132107307 591687522 /nfs/dbraw/zinc/68/75/22/591687522.db2.gz KTPIGXPZEVCGGJ-UHFFFAOYSA-N 0 0 230.138 4.005 10 0 BIAERN CC[C@@H](C)c1csc(C2CCCC2)n1 ZINC000132208726 371765937 /nfs/dbraw/zinc/76/59/37/371765937.db2.gz ICIGCYHBTCYMFK-SECBINFHSA-N 0 0 209.358 4.314 10 0 BIAERN CC[C@H](C)c1csc(C2CCCC2)n1 ZINC000132208943 371766123 /nfs/dbraw/zinc/76/61/23/371766123.db2.gz ICIGCYHBTCYMFK-VIFPVBQESA-N 0 0 209.358 4.314 10 0 BIAERN Cc1ccc([C@@H](C)Nc2cccc(F)n2)c(C)c1 ZINC000132728064 711978643 /nfs/dbraw/zinc/97/86/43/711978643.db2.gz DFCBGOWGNBSAGT-GFCCVEGCSA-N 0 0 244.313 4.011 10 0 BIAERN Cc1ccc([C@H](C)Nc2cccc(F)n2)c(C)c1 ZINC000132728260 711978768 /nfs/dbraw/zinc/97/87/68/711978768.db2.gz DFCBGOWGNBSAGT-LBPRGKRZSA-N 0 0 244.313 4.011 10 0 BIAERN CC(C)(C)c1ccccc1[C@H](O)c1ccccc1 ZINC000132835762 343189158 /nfs/dbraw/zinc/18/91/58/343189158.db2.gz XCUKTYMVQZTCHX-MRXNPFEDSA-N 0 0 240.346 4.066 10 0 BIAERN CC(C)(C)c1ccccc1[C@@H](O)c1ccccc1 ZINC000132835990 343189337 /nfs/dbraw/zinc/18/93/37/343189337.db2.gz XCUKTYMVQZTCHX-INIZCTEOSA-N 0 0 240.346 4.066 10 0 BIAERN CCCC(CCC)C(=O)c1ccc(F)cc1 ZINC000132900111 371945718 /nfs/dbraw/zinc/94/57/18/371945718.db2.gz YBFFOJFOEWAPCI-UHFFFAOYSA-N 0 0 222.303 4.225 10 0 BIAERN CCCC(CCC)C(=O)c1ccccc1 ZINC000132900568 371945096 /nfs/dbraw/zinc/94/50/96/371945096.db2.gz XRBYJWLIACGTRW-UHFFFAOYSA-N 0 0 204.313 4.086 10 0 BIAERN CCCC(CCC)C(=O)c1cccs1 ZINC000132901195 371945273 /nfs/dbraw/zinc/94/52/73/371945273.db2.gz QTKIMTBSFQTKFO-UHFFFAOYSA-N 0 0 210.342 4.147 10 0 BIAERN CCCC(CCC)C(=O)c1ccc(C)s1 ZINC000132901444 371947743 /nfs/dbraw/zinc/94/77/43/371947743.db2.gz BVXWSZZAFBQJKM-UHFFFAOYSA-N 0 0 224.369 4.456 10 0 BIAERN CCCC(CCC)C(=O)c1ccc(C)cc1 ZINC000132901650 344308850 /nfs/dbraw/zinc/30/88/50/344308850.db2.gz DIMIBGCMICYNSQ-UHFFFAOYSA-N 0 0 218.340 4.394 10 0 BIAERN CCCC(CCC)C(=O)c1sccc1C ZINC000132903469 371947198 /nfs/dbraw/zinc/94/71/98/371947198.db2.gz WWIFLWFSWQZAPL-UHFFFAOYSA-N 0 0 224.369 4.456 10 0 BIAERN Nc1c(Cl)scc1C1CCCCC1 ZINC000132997957 371966058 /nfs/dbraw/zinc/96/60/58/371966058.db2.gz MXINOQOGWUVXAM-UHFFFAOYSA-N 0 0 215.749 4.031 10 0 BIAERN Nc1cc(C2CCCCC2)sc1Cl ZINC000133003679 371967650 /nfs/dbraw/zinc/96/76/50/371967650.db2.gz FQJGHVLPWATMSZ-UHFFFAOYSA-N 0 0 215.749 4.031 10 0 BIAERN Nc1c(Cl)scc1-c1ccc(Cl)cc1 ZINC000133005126 371967836 /nfs/dbraw/zinc/96/78/36/371967836.db2.gz GANWXAONLYDCRV-UHFFFAOYSA-N 0 0 244.146 4.304 10 0 BIAERN Nc1ccccc1-c1ccc(C2CCC2)cc1 ZINC000133381700 411733607 /nfs/dbraw/zinc/73/36/07/411733607.db2.gz ZBUDWGLARRZKLC-UHFFFAOYSA-N 0 0 223.319 4.203 10 0 BIAERN O=Cc1ccccc1-c1ccc(C2CCC2)cc1 ZINC000133392463 645864662 /nfs/dbraw/zinc/86/46/62/645864662.db2.gz XFMSJSSRESCATR-UHFFFAOYSA-N 0 0 236.314 4.434 10 0 BIAERN O=Cc1ccc(-c2ccc(C3CCC3)cc2)cc1 ZINC000133393331 645864687 /nfs/dbraw/zinc/86/46/87/645864687.db2.gz YBBZGEKEAKRXKL-UHFFFAOYSA-N 0 0 236.314 4.434 10 0 BIAERN O=Cc1cccc(-c2ccc(C3CCC3)cc2)c1 ZINC000133394576 591788987 /nfs/dbraw/zinc/78/89/87/591788987.db2.gz FFACOFNSOYXCRM-UHFFFAOYSA-N 0 0 236.314 4.434 10 0 BIAERN Cc1ccc([C@@H](C)Nc2cccc(F)n2)cc1C ZINC000133509844 591808655 /nfs/dbraw/zinc/80/86/55/591808655.db2.gz ZLOUDFXYDCGGPH-GFCCVEGCSA-N 0 0 244.313 4.011 10 0 BIAERN Cc1ccc([C@H](C)Nc2cccc(F)n2)cc1C ZINC000133510034 591808802 /nfs/dbraw/zinc/80/88/02/591808802.db2.gz ZLOUDFXYDCGGPH-LBPRGKRZSA-N 0 0 244.313 4.011 10 0 BIAERN Cc1cnc(Cl)cc1Sc1ccccc1 ZINC000133739733 372099589 /nfs/dbraw/zinc/09/95/89/372099589.db2.gz HPOAVKLTGDOZKX-UHFFFAOYSA-N 0 0 235.739 4.195 10 0 BIAERN CC(=O)c1ccc(-c2cccs2)cc1Cl ZINC000135038740 384488497 /nfs/dbraw/zinc/48/84/97/384488497.db2.gz CUORAOWHVHQXTL-UHFFFAOYSA-N 0 0 236.723 4.271 10 0 BIAERN C[C@]12CCCC[C@H]1CCc1ccccc12 ZINC000135721630 384305186 /nfs/dbraw/zinc/30/51/86/384305186.db2.gz MKYPXWHSIZXOQQ-ZFWWWQNUSA-N 0 0 200.325 4.081 10 0 BIAERN CC1(C)CC(Nc2ccccc2N)CC(C)(C)C1 ZINC000135919698 343197103 /nfs/dbraw/zinc/19/71/03/343197103.db2.gz NFQVZCWERDSVQL-UHFFFAOYSA-N 0 0 246.398 4.286 10 0 BIAERN C/C(=C/CO)c1cc(C(C)C)cc(C(C)C)c1O ZINC000135950436 345795529 /nfs/dbraw/zinc/79/55/29/345795529.db2.gz RSIFPUSAJWAOJR-SDQBBNPISA-N 0 0 248.366 4.035 10 0 BIAERN Cc1ccc(C(=C(F)F)C(F)(F)F)cc1 ZINC000136156001 368979597 /nfs/dbraw/zinc/97/95/97/368979597.db2.gz SPNBVHMMYHJBLL-UHFFFAOYSA-N 0 0 222.156 4.165 10 0 BIAERN CC(C)=CCC[C@H](C)[C@H]1C=C[C@@](C)(O)CC1 ZINC000136185123 571850283 /nfs/dbraw/zinc/85/02/83/571850283.db2.gz VVCHIOKYQRUBED-SOUVJXGZSA-N 0 0 222.372 4.086 10 0 endogenous,in-man BIAERN Cc1cc(=O)oc2c1cc(C(C)C)cc2C(C)C ZINC000136347694 345813429 /nfs/dbraw/zinc/81/34/29/345813429.db2.gz ASNOPQUUIIDDER-UHFFFAOYSA-N 0 0 244.334 4.348 10 0 BIAERN C[C@@H]1CCCC=C1c1c2cc[nH]c2ncc1Cl ZINC000136422441 345813445 /nfs/dbraw/zinc/81/34/45/345813445.db2.gz CJWPLYUBVJWLTG-SECBINFHSA-N 0 0 246.741 4.420 10 0 BIAERN C[C@H]1CCCC=C1c1c2cc[nH]c2ncc1Cl ZINC000136422477 345813412 /nfs/dbraw/zinc/81/34/12/345813412.db2.gz CJWPLYUBVJWLTG-VIFPVBQESA-N 0 0 246.741 4.420 10 0 BIAERN c1cc2cc(-c3cccc4ccccc43)cnc2[nH]1 ZINC000136436997 345813896 /nfs/dbraw/zinc/81/38/96/345813896.db2.gz BZJMIWKKZSIDKJ-UHFFFAOYSA-N 0 0 244.297 4.383 10 0 BIAERN CCCCCCCc1cccc(C=O)c1 ZINC000136463907 345814174 /nfs/dbraw/zinc/81/41/74/345814174.db2.gz XCGJRFVWTAXIJZ-UHFFFAOYSA-N 0 0 204.313 4.012 10 0 BIAERN C=C(c1c2cc[nH]c2ncc1Cl)C1CCCC1 ZINC000136509766 345814630 /nfs/dbraw/zinc/81/46/30/345814630.db2.gz MYCKFEWNGIMTBI-UHFFFAOYSA-N 0 0 246.741 4.420 10 0 BIAERN CC(C)Oc1cc2c(cc1C(C)C)CCCC2=O ZINC000136519984 368986047 /nfs/dbraw/zinc/98/60/47/368986047.db2.gz DUYKYRFSBVXEIM-UHFFFAOYSA-N 0 0 246.350 4.116 10 0 BIAERN c1c2cccc3c2n(c1Cc1ccccc1)CCC3 ZINC000136522126 368985805 /nfs/dbraw/zinc/98/58/05/368985805.db2.gz GEVXOBFXSOEWKM-UHFFFAOYSA-N 0 0 247.341 4.178 10 0 BIAERN Nc1ccc(Cl)cc1-c1cc2ccccc2[nH]1 ZINC000136528400 345815464 /nfs/dbraw/zinc/81/54/64/345815464.db2.gz COSMPSXVPVQIJS-UHFFFAOYSA-N 0 0 242.709 4.071 10 0 BIAERN Fc1cccc(CC2CCCCC2)c1F ZINC000136559812 345815768 /nfs/dbraw/zinc/81/57/68/345815768.db2.gz YBPMJBBOGHICTQ-UHFFFAOYSA-N 0 0 210.267 4.088 10 0 BIAERN Clc1ccc2nc(Oc3ccccc3)oc2c1 ZINC000136747908 345819624 /nfs/dbraw/zinc/81/96/24/345819624.db2.gz NCZVEGBYYTZOSG-UHFFFAOYSA-N 0 0 245.665 4.274 10 0 BIAERN CCc1c(Cl)ccc(Cl)c1Cl ZINC000136773274 368988703 /nfs/dbraw/zinc/98/87/03/368988703.db2.gz NLJGCLXWNHSMKE-UHFFFAOYSA-N 0 0 209.503 4.209 10 0 BIAERN O=C1CCc2cc(-c3cc4ccccc4o3)ccc21 ZINC000136777593 345547274 /nfs/dbraw/zinc/54/72/74/345547274.db2.gz VCCPWFVCERBRGY-UHFFFAOYSA-N 0 0 248.281 4.229 10 0 BIAERN CCCSC1(SCCC)N=NC(C)(C)O1 ZINC000136934780 345833402 /nfs/dbraw/zinc/83/34/02/345833402.db2.gz FJYVPCVLZLZWFK-UHFFFAOYSA-N 0 0 248.417 4.103 10 0 BIAERN C[C@@H]1CC[C@H](Nc2nccs2)c2ccccc21 ZINC000136972171 592153176 /nfs/dbraw/zinc/15/31/76/592153176.db2.gz RLFQFFJIQHONTD-MFKMUULPSA-N 0 0 244.363 4.194 10 0 BIAERN C[C@H]1CC[C@H](Nc2nccs2)c2ccccc21 ZINC000136972222 592153179 /nfs/dbraw/zinc/15/31/79/592153179.db2.gz RLFQFFJIQHONTD-GWCFXTLKSA-N 0 0 244.363 4.194 10 0 BIAERN C[C@@H]1CC[C@@H](Nc2nccs2)c2ccccc21 ZINC000136972270 592153656 /nfs/dbraw/zinc/15/36/56/592153656.db2.gz RLFQFFJIQHONTD-ZWNOBZJWSA-N 0 0 244.363 4.194 10 0 BIAERN C[C@H]1CC[C@@H](Nc2nccs2)c2ccccc21 ZINC000136972305 592153037 /nfs/dbraw/zinc/15/30/37/592153037.db2.gz RLFQFFJIQHONTD-GXFFZTMASA-N 0 0 244.363 4.194 10 0 BIAERN CCCCCc1ccc(Br)s1 ZINC000137088309 384517225 /nfs/dbraw/zinc/51/72/25/384517225.db2.gz SOZIBLSTUIVYKC-UHFFFAOYSA-N 0 0 233.174 4.243 10 0 BIAERN C[C@@H]1C=C(c2ccccc2)c2ccccc21 ZINC000137185205 345585976 /nfs/dbraw/zinc/58/59/76/345585976.db2.gz JJUWUZOXEIZYON-GFCCVEGCSA-N 0 0 206.288 4.235 10 0 BIAERN C[C@H]1C=C(c2ccccc2)c2ccccc21 ZINC000137185246 345838354 /nfs/dbraw/zinc/83/83/54/345838354.db2.gz JJUWUZOXEIZYON-LBPRGKRZSA-N 0 0 206.288 4.235 10 0 BIAERN Cc1cc(Cl)c(C(F)(F)F)cc1Cl ZINC000137254880 351374437 /nfs/dbraw/zinc/37/44/37/351374437.db2.gz IONFPGSUSOWPDR-UHFFFAOYSA-N 0 0 229.028 4.321 10 0 BIAERN Cc1c(Cl)ccc(C(F)(F)F)c1Cl ZINC000137254933 353759295 /nfs/dbraw/zinc/75/92/95/353759295.db2.gz AXAGWOKIYKENDZ-UHFFFAOYSA-N 0 0 229.028 4.321 10 0 BIAERN CCc1ccc2cc(Br)ccc2c1 ZINC000137258877 345593603 /nfs/dbraw/zinc/59/36/03/345593603.db2.gz QMIKILLYMUGDDP-UHFFFAOYSA-N 0 0 235.124 4.165 10 0 BIAERN Oc1cc2ccccc2c2cc(Cl)ccc12 ZINC000137274587 345840811 /nfs/dbraw/zinc/84/08/11/345840811.db2.gz PRHCZOIRXLLSSU-UHFFFAOYSA-N 0 0 228.678 4.352 10 0 BIAERN c1ccc2c(c1)CCc1cc3c(cc1-2)CCCC3 ZINC000137343007 345844986 /nfs/dbraw/zinc/84/49/86/345844986.db2.gz CTNNCKHISHIEEL-UHFFFAOYSA-N 0 0 234.342 4.331 10 0 BIAERN Cc1cccc(C(F)(F)F)c1C(F)(F)F ZINC000137472000 345637585 /nfs/dbraw/zinc/63/75/85/345637585.db2.gz BKUJOBOWJBMCRE-UHFFFAOYSA-N 0 0 228.135 4.033 10 0 BIAERN Clc1ccc2cc3c(cc2c1)CCCC3 ZINC000137533444 345847042 /nfs/dbraw/zinc/84/70/42/345847042.db2.gz HEZUCJIJMODPQC-UHFFFAOYSA-N 0 0 216.711 4.372 10 0 BIAERN Clc1ccc2ccsc2c1Cl ZINC000137550672 356660828 /nfs/dbraw/zinc/66/08/28/356660828.db2.gz NGUBSIORFJEHNN-UHFFFAOYSA-N 0 0 203.093 4.208 10 0 BIAERN C=C(c1ccccc1)c1cccc(CC)c1 ZINC000137567325 345847495 /nfs/dbraw/zinc/84/74/95/345847495.db2.gz VPWRXXSLWGEHQM-UHFFFAOYSA-N 0 0 208.304 4.311 10 0 BIAERN O=Cc1sc2ccccc2c1-c1ccccc1 ZINC000137572071 345847089 /nfs/dbraw/zinc/84/70/89/345847089.db2.gz YVTSCBBDSXVLNL-UHFFFAOYSA-N 0 0 238.311 4.381 10 0 BIAERN CCCCC/C=C/CP(=O)(OCC)OCC ZINC000137589024 345847402 /nfs/dbraw/zinc/84/74/02/345847402.db2.gz BEGDAROTDLPQJO-ZHACJKMWSA-N 0 0 248.303 4.389 10 0 BIAERN C[C@@]12CCCC[C@@H]1CCc1ccccc12 ZINC000137597094 387585696 /nfs/dbraw/zinc/58/56/96/387585696.db2.gz MKYPXWHSIZXOQQ-UKRRQHHQSA-N 0 0 200.325 4.081 10 0 BIAERN CC1(C)CC(=O)c2ccc(-c3ccsc3)cc21 ZINC000137600901 345847340 /nfs/dbraw/zinc/84/73/40/345847340.db2.gz IYNXPTOGIHRDQL-UHFFFAOYSA-N 0 0 242.343 4.279 10 0 BIAERN CC(C)(C)c1ccc(-c2cc(Cl)cnn2)cc1 ZINC000137764191 345849775 /nfs/dbraw/zinc/84/97/75/345849775.db2.gz JBLDEPVGGZJEIY-UHFFFAOYSA-N 0 0 246.741 4.095 10 0 BIAERN CCCc1cccc(-c2cccc(OC)c2)c1 ZINC000138089064 342754529 /nfs/dbraw/zinc/75/45/29/342754529.db2.gz SOBWHGDPZMGGOC-UHFFFAOYSA-N 0 0 226.319 4.315 10 0 BIAERN CCNc1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000138172674 342784484 /nfs/dbraw/zinc/78/44/84/342784484.db2.gz UWSHWYPLXGIUNP-UHFFFAOYSA-N 0 0 231.383 4.467 10 0 BIAERN Fc1c(F)c(Cl)c(Cl)c(F)c1Cl ZINC000138190795 342786497 /nfs/dbraw/zinc/78/64/97/342786497.db2.gz BZSJKSFTYRTRBL-UHFFFAOYSA-N 0 0 235.419 4.064 10 0 BIAERN CSc1nc2c(cccc2C(F)(F)F)s1 ZINC000138204581 345759594 /nfs/dbraw/zinc/75/95/94/345759594.db2.gz XFDVSQYHIQZXPF-UHFFFAOYSA-N 0 0 249.282 4.037 10 0 BIAERN Brc1ccc2c(c1)-c1ccccc1-2 ZINC000138224044 360535598 /nfs/dbraw/zinc/53/55/98/360535598.db2.gz ANPQVSMGLXYJAT-UHFFFAOYSA-N 0 0 231.092 4.097 10 0 BIAERN CCCC[C@@H](CO)c1ccc(Cl)cc1Cl ZINC000138252945 360538506 /nfs/dbraw/zinc/53/85/06/360538506.db2.gz GXTMDKIKOLGAON-VIFPVBQESA-N 0 0 247.165 4.260 10 0 BIAERN CCCC[C@H](CO)c1ccc(Cl)cc1Cl ZINC000138253052 360539109 /nfs/dbraw/zinc/53/91/09/360539109.db2.gz GXTMDKIKOLGAON-SECBINFHSA-N 0 0 247.165 4.260 10 0 BIAERN Cc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000138298929 398269417 /nfs/dbraw/zinc/26/94/17/398269417.db2.gz MNUWPQXCTILBIY-UHFFFAOYSA-N 0 0 242.709 4.192 10 0 BIAERN CCC1=C(C(C)C)[C@@]2(CCC1)CC(C)=CC(=O)O2 ZINC000138326162 342821841 /nfs/dbraw/zinc/82/18/41/342821841.db2.gz XCSSELGLBWQLOJ-MRXNPFEDSA-N 0 0 248.366 4.165 10 0 BIAERN CC1(C)CCC(C)(C)c2cc(F)ccc21 ZINC000138431541 349113518 /nfs/dbraw/zinc/11/35/18/349113518.db2.gz JJPOKGQIUCLMBE-UHFFFAOYSA-N 0 0 206.304 4.175 10 0 BIAERN c1ccc2c(c1)CCCC21CCCCC1 ZINC000138550879 342902446 /nfs/dbraw/zinc/90/24/46/342902446.db2.gz GEBJUONNXRTAEV-UHFFFAOYSA-N 0 0 200.325 4.225 10 0 BIAERN Cc1ccc2c(c1)Nc1cc(C)ccc1N2 ZINC000138683156 350828972 /nfs/dbraw/zinc/82/89/72/350828972.db2.gz XEKUBCZESJYSHO-UHFFFAOYSA-N 0 0 210.280 4.104 10 0 BIAERN CN1P(C(C)(C)C)N(C)P1C(C)(C)C ZINC000138743360 173204743 /nfs/dbraw/zinc/20/47/43/173204743.db2.gz HRUWOJGVZURYFS-UHFFFAOYSA-N 0 0 234.264 4.084 10 0 BIAERN c1ccc2c(c1)CCc1c-2ccc2c1CCCC2 ZINC000138782684 361159761 /nfs/dbraw/zinc/15/97/61/361159761.db2.gz NPPXRCVNWBUFCO-UHFFFAOYSA-N 0 0 234.342 4.331 10 0 BIAERN C[C@@H](/C=C/Br)C1CCCCC1 ZINC000138802358 538949717 /nfs/dbraw/zinc/94/97/17/538949717.db2.gz QNEVQPJQZIPBKM-FLOXNTQESA-N 0 0 217.150 4.111 10 0 BIAERN C[C@H](/C=C/Br)C1CCCCC1 ZINC000138802490 538949642 /nfs/dbraw/zinc/94/96/42/538949642.db2.gz QNEVQPJQZIPBKM-FCZSHJHJSA-N 0 0 217.150 4.111 10 0 BIAERN CC1=CC[C@@H]2[C@H]([C@@H]3[C@H](C)CC[C@H]13)C2(C)C ZINC000138823076 571850660 /nfs/dbraw/zinc/85/06/60/571850660.db2.gz DJAYTQZJAJXFDU-DHGKCCLASA-N 0 0 204.357 4.271 10 0 endogenous,in-man BIAERN CC1=CC[C@@H]2[C@H]([C@@H]3[C@H](C)CC[C@@H]13)C2(C)C ZINC000138823205 571850624 /nfs/dbraw/zinc/85/06/24/571850624.db2.gz DJAYTQZJAJXFDU-XVIXHAIJSA-N 0 0 204.357 4.271 10 0 endogenous,in-man BIAERN CC(C)c1nc(Cl)c(C(C)C)nc1Cl ZINC000138851436 361174987 /nfs/dbraw/zinc/17/49/87/361174987.db2.gz VIWJCQOQXHXBMS-UHFFFAOYSA-N 0 0 233.142 4.030 10 0 BIAERN CCCCCC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000138878175 490102954 /nfs/dbraw/zinc/10/29/54/490102954.db2.gz LWERNJGIRLIPOQ-ZDUSSCGKSA-N 0 0 247.382 4.007 10 0 BIAERN CCCCCC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000138878283 487619478 /nfs/dbraw/zinc/61/94/78/487619478.db2.gz LWERNJGIRLIPOQ-CYBMUJFWSA-N 0 0 247.382 4.007 10 0 BIAERN O=Cc1ccc2c(c1)-c1cccc3cccc-2c13 ZINC000138916408 343250651 /nfs/dbraw/zinc/25/06/51/343250651.db2.gz KSMRJNBUEKDYGN-UHFFFAOYSA-N 0 0 230.266 4.300 10 0 BIAERN Fc1c(Cl)cccc1-c1ccccc1 ZINC000138959486 343251601 /nfs/dbraw/zinc/25/16/01/343251601.db2.gz RCZUIPQKHQYHMD-UHFFFAOYSA-N 0 0 206.647 4.146 10 0 BIAERN CC(C)(C)Sc1ccc(Cl)cc1C=O ZINC000139065889 342778116 /nfs/dbraw/zinc/77/81/16/342778116.db2.gz ORFLGTHTPWRAIW-UHFFFAOYSA-N 0 0 228.744 4.043 10 0 BIAERN C=CC[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000139208578 342792059 /nfs/dbraw/zinc/79/20/59/342792059.db2.gz PMIMVJSFFLZSHD-INIZCTEOSA-N 0 0 236.314 4.229 10 0 BIAERN C=CC[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000139208685 343278249 /nfs/dbraw/zinc/27/82/49/343278249.db2.gz PMIMVJSFFLZSHD-MRXNPFEDSA-N 0 0 236.314 4.229 10 0 BIAERN O=C1CCCCCCCCCCCCCCN1 ZINC000139291370 343296616 /nfs/dbraw/zinc/29/66/16/343296616.db2.gz NIMGTMNBWOVIHM-UHFFFAOYSA-N 0 0 239.403 4.188 10 0 BIAERN Oc1ccc2c(c1)scc2-c1ccc(F)cc1 ZINC000139332454 343305217 /nfs/dbraw/zinc/30/52/17/343305217.db2.gz XVERMMSHIOSREQ-UHFFFAOYSA-N 0 0 244.290 4.413 10 0 BIAERN Fc1cccc2c3ccccc3sc21 ZINC000139527282 344373520 /nfs/dbraw/zinc/37/35/20/344373520.db2.gz PPNCWFIPSODBKM-UHFFFAOYSA-N 0 0 202.253 4.194 10 0 BIAERN Clc1cc(Br)c2ccccc2c1 ZINC000139575081 364160283 /nfs/dbraw/zinc/16/02/83/364160283.db2.gz ABGYAXSJIBNZSF-UHFFFAOYSA-N 0 0 241.515 4.256 10 0 BIAERN CCCc1nc2ccc(C)cc2cc1CC ZINC000139584663 384622021 /nfs/dbraw/zinc/62/20/21/384622021.db2.gz SASZSVVBBYHWNT-UHFFFAOYSA-N 0 0 213.324 4.058 10 0 BIAERN CCCCCc1ccc2ccc(O)cc2c1 ZINC000139646637 351159313 /nfs/dbraw/zinc/15/93/13/351159313.db2.gz JUBBXAAHPWCDIZ-UHFFFAOYSA-N 0 0 214.308 4.278 10 0 BIAERN Cc1ccc(Oc2cc(Cl)ccc2C=O)cc1 ZINC000139674280 518189468 /nfs/dbraw/zinc/18/94/68/518189468.db2.gz RZCDYQWIZRRSJB-UHFFFAOYSA-N 0 0 246.693 4.253 10 0 BIAERN Cc1cccc(Oc2cc(Cl)ccc2C=O)c1 ZINC000139674460 179175554 /nfs/dbraw/zinc/17/55/54/179175554.db2.gz LVOBJJPAGIRCME-UHFFFAOYSA-N 0 0 246.693 4.253 10 0 BIAERN Cc1ccccc1Oc1cc(Cl)ccc1C=O ZINC000139674606 179314263 /nfs/dbraw/zinc/31/42/63/179314263.db2.gz QRONQWUEDGYTKF-UHFFFAOYSA-N 0 0 246.693 4.253 10 0 BIAERN C[C@@H](c1ccccc1)c1cc(Cl)ccc1N ZINC000139747929 176023973 /nfs/dbraw/zinc/02/39/73/176023973.db2.gz BZTULADAHKFTMV-JTQLQIEISA-N 0 0 231.726 4.074 10 0 BIAERN C[C@H](c1ccccc1)c1cc(Cl)ccc1N ZINC000139748072 177040720 /nfs/dbraw/zinc/04/07/20/177040720.db2.gz BZTULADAHKFTMV-SNVBAGLBSA-N 0 0 231.726 4.074 10 0 BIAERN COc1ccc2c(c1)CCC(c1ccccc1)=C2 ZINC000139796671 343067372 /nfs/dbraw/zinc/06/73/72/343067372.db2.gz QYQXAFMTCAPURI-UHFFFAOYSA-N 0 0 236.314 4.182 10 0 BIAERN Cc1ccc(-c2cc(F)c(F)c(F)c2F)cc1 ZINC000139797748 344716658 /nfs/dbraw/zinc/71/66/58/344716658.db2.gz IDBXVWLKCXZVTD-UHFFFAOYSA-N 0 0 240.199 4.218 10 0 BIAERN Oc1ccc([C@@H]2CCSc3ccccc32)cc1 ZINC000140002597 345850546 /nfs/dbraw/zinc/85/05/46/345850546.db2.gz GYICTBUFOFEGTB-ZDUSSCGKSA-N 0 0 242.343 4.020 10 0 BIAERN Oc1ccc([C@H]2CCSc3ccccc32)cc1 ZINC000140002746 343068580 /nfs/dbraw/zinc/06/85/80/343068580.db2.gz GYICTBUFOFEGTB-CYBMUJFWSA-N 0 0 242.343 4.020 10 0 BIAERN Cc1cc(NC(=O)OC(C)(C)C)c(C)c(C)c1C ZINC000140021686 345850403 /nfs/dbraw/zinc/85/04/03/345850403.db2.gz OAFHKSFARWWZNU-UHFFFAOYSA-N 0 0 249.354 4.267 10 0 BIAERN c1ccc(CNc2ccc3c(c2)CCCC3)cc1 ZINC000140090126 343070190 /nfs/dbraw/zinc/07/01/90/343070190.db2.gz HWEUHWURGPJDQU-UHFFFAOYSA-N 0 0 237.346 4.178 10 0 BIAERN Br/C=C\c1cccc2ccccc12 ZINC000140128153 345852577 /nfs/dbraw/zinc/85/25/77/345852577.db2.gz CCWARAMLMHCSOW-HJWRWDBZSA-N 0 0 233.108 4.205 10 0 BIAERN C[C@]12CCCC[C@@H]1CCc1ccccc12 ZINC000140261629 372537786 /nfs/dbraw/zinc/53/77/86/372537786.db2.gz MKYPXWHSIZXOQQ-HIFRSBDPSA-N 0 0 200.325 4.081 10 0 BIAERN Cc1ccc(C)c(-c2ccc3c(c2)CCC3=O)c1 ZINC000140352019 345808254 /nfs/dbraw/zinc/80/82/54/345808254.db2.gz QQNRRXQXBSDOQP-UHFFFAOYSA-N 0 0 236.314 4.099 10 0 BIAERN Cc1ccc2[nH]c(Cc3ccccc3)cc2c1 ZINC000140400279 178935833 /nfs/dbraw/zinc/93/58/33/178935833.db2.gz ZOEZWFQSOPVIOK-UHFFFAOYSA-N 0 0 221.303 4.067 10 0 BIAERN Clc1cccc(-c2ccncc2)c1Cl ZINC000140403558 384650791 /nfs/dbraw/zinc/65/07/91/384650791.db2.gz ZLRJQCKRMOVKTB-UHFFFAOYSA-N 0 0 224.090 4.055 10 0 BIAERN CCc1nc2ccccc2cc1-c1ccccc1 ZINC000140607047 172013486 /nfs/dbraw/zinc/01/34/86/172013486.db2.gz BWFHOJBTLCNAGY-UHFFFAOYSA-N 0 0 233.314 4.464 10 0 BIAERN Fc1ccc([C@@H]2CCc3cc(F)ccc32)cc1 ZINC000140669261 345856593 /nfs/dbraw/zinc/85/65/93/345856593.db2.gz DFYSLJIFFWWJMH-AWEZNQCLSA-N 0 0 230.257 4.043 10 0 BIAERN Fc1ccc([C@H]2CCc3cc(F)ccc32)cc1 ZINC000140669440 345856725 /nfs/dbraw/zinc/85/67/25/345856725.db2.gz DFYSLJIFFWWJMH-CQSZACIVSA-N 0 0 230.257 4.043 10 0 BIAERN Cc1ccc(Oc2ccc([S-])cc2)cc1C ZINC000140687811 343077888 /nfs/dbraw/zinc/07/78/88/343077888.db2.gz CITKVZVYHMJRBP-UHFFFAOYSA-N 0 0 230.332 4.384 10 0 BIAERN Fc1ccc(CC2=Cc3ccccc3C2)cc1 ZINC000140759972 345857872 /nfs/dbraw/zinc/85/78/72/345857872.db2.gz XTHDVKYUGLUJSP-UHFFFAOYSA-N 0 0 224.278 4.008 10 0 BIAERN Cc1c2ccoc2ccc1OCc1ccccc1 ZINC000140819065 345858340 /nfs/dbraw/zinc/85/83/40/345858340.db2.gz PRYZWUGMAQZVCM-UHFFFAOYSA-N 0 0 238.286 4.320 10 0 BIAERN C/C(=C\CO)c1cc(C(C)C)cc(C(C)C)c1O ZINC000140845003 343083783 /nfs/dbraw/zinc/08/37/83/343083783.db2.gz RSIFPUSAJWAOJR-WUXMJOGZSA-N 0 0 248.366 4.035 10 0 BIAERN Clc1ccccc1-c1cccc2[nH]ccc21 ZINC000140896965 372810545 /nfs/dbraw/zinc/81/05/45/372810545.db2.gz HOKGZRTWXXGVSI-UHFFFAOYSA-N 0 0 227.694 4.488 10 0 BIAERN CC[C@@H](Br)c1ccccc1Cl ZINC000141205758 345839006 /nfs/dbraw/zinc/83/90/06/345839006.db2.gz LQRYDYCPRGMDJV-MRVPVSSYSA-N 0 0 233.536 4.186 10 0 BIAERN CC[C@H](Br)c1ccccc1Cl ZINC000141205949 345860092 /nfs/dbraw/zinc/86/00/92/345860092.db2.gz LQRYDYCPRGMDJV-QMMMGPOBSA-N 0 0 233.536 4.186 10 0 BIAERN CCc1ccc(O)c([C@@H](C)c2ccccc2)c1 ZINC000141226295 345860026 /nfs/dbraw/zinc/86/00/26/345860026.db2.gz WXNNCGBQDKCCTQ-LBPRGKRZSA-N 0 0 226.319 4.106 10 0 BIAERN CCc1ccc(O)c([C@H](C)c2ccccc2)c1 ZINC000141226464 345860223 /nfs/dbraw/zinc/86/02/23/345860223.db2.gz WXNNCGBQDKCCTQ-GFCCVEGCSA-N 0 0 226.319 4.106 10 0 BIAERN Clc1sc2ccc(Cl)nc2c1Cl ZINC000141248998 384668004 /nfs/dbraw/zinc/66/80/04/384668004.db2.gz PCUXQRWEJWQHRK-UHFFFAOYSA-N 0 0 238.526 4.257 10 0 BIAERN CCCC(=O)c1ccccc1-c1ccccc1 ZINC000141484453 372962464 /nfs/dbraw/zinc/96/24/64/372962464.db2.gz QFNBEXJEBVFJLI-UHFFFAOYSA-N 0 0 224.303 4.336 10 0 BIAERN O=C1C[C@H](c2ccccc2)c2cc(Cl)ccc21 ZINC000141496579 345860690 /nfs/dbraw/zinc/86/06/90/345860690.db2.gz CCSYWSFTUYTWCK-CYBMUJFWSA-N 0 0 242.705 4.058 10 0 BIAERN O=C1C[C@@H](c2ccccc2)c2cc(Cl)ccc21 ZINC000141496758 343095664 /nfs/dbraw/zinc/09/56/64/343095664.db2.gz CCSYWSFTUYTWCK-ZDUSSCGKSA-N 0 0 242.705 4.058 10 0 BIAERN Cc1ccccc1C1=Cc2ccccc2C1 ZINC000141674213 343098381 /nfs/dbraw/zinc/09/83/81/343098381.db2.gz OKRYXQPTSIFLDW-UHFFFAOYSA-N 0 0 206.288 4.092 10 0 BIAERN CCc1cccc([C@@H](C)c2ccccc2)c1 ZINC000141833316 345861757 /nfs/dbraw/zinc/86/17/57/345861757.db2.gz SVYSEUKEQTUMPE-ZDUSSCGKSA-N 0 0 210.320 4.401 10 0 BIAERN CCc1cccc([C@H](C)c2ccccc2)c1 ZINC000141833536 345861846 /nfs/dbraw/zinc/86/18/46/345861846.db2.gz SVYSEUKEQTUMPE-CYBMUJFWSA-N 0 0 210.320 4.401 10 0 BIAERN CC(C)/C=C/c1ccc(C(F)(F)F)cc1 ZINC000141842914 410519999 /nfs/dbraw/zinc/51/99/99/410519999.db2.gz GHDRSCNDWFZCQR-ONEGZZNKSA-N 0 0 214.230 4.375 10 0 BIAERN CC(C)c1ccc(Br)c(Cl)c1 ZINC000141846541 541503373 /nfs/dbraw/zinc/50/33/73/541503373.db2.gz LMQLTGKBVZVFIR-UHFFFAOYSA-N 0 0 233.536 4.226 10 0 BIAERN CC(C)/C=C/c1ccc(Br)cc1 ZINC000141852237 345856676 /nfs/dbraw/zinc/85/66/76/345856676.db2.gz RYSVCJCBISYDKG-ONEGZZNKSA-N 0 0 225.129 4.118 10 0 BIAERN Cc1ccc(-c2ccc(F)c(F)c2)c(F)c1 ZINC000141943988 582558005 /nfs/dbraw/zinc/55/80/05/582558005.db2.gz FXOWBGOYBKWGLX-UHFFFAOYSA-N 0 0 222.209 4.079 10 0 BIAERN Fc1c(Cl)c(Cl)ccc1C(F)(F)F ZINC000142026440 345854871 /nfs/dbraw/zinc/85/48/71/345854871.db2.gz XLWHWVSBMGAZEU-UHFFFAOYSA-N 0 0 232.991 4.151 10 0 BIAERN CC(C)C[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@@]21C ZINC000142085754 398343735 /nfs/dbraw/zinc/34/37/35/398343735.db2.gz PQABOQZDEWPDNK-HGTKMLMNSA-N 0 0 236.399 4.454 10 0 BIAERN CC(C)(C)OC(=O)Nc1cccc2sccc21 ZINC000142094653 351328072 /nfs/dbraw/zinc/32/80/72/351328072.db2.gz ARSBPQKYONRWFB-UHFFFAOYSA-N 0 0 249.335 4.248 10 0 BIAERN O=CC1(c2cc(Cl)ccc2Cl)CCCC1 ZINC000142226360 353249559 /nfs/dbraw/zinc/24/95/59/353249559.db2.gz SCKXKZOLUSWBRC-UHFFFAOYSA-N 0 0 243.133 4.004 10 0 BIAERN CC1(C)CCC(C)(C)c2cc3c(cc21)CCN3 ZINC000142259301 345862369 /nfs/dbraw/zinc/86/23/69/345862369.db2.gz BSQSCDUQKRHETF-UHFFFAOYSA-N 0 0 229.367 4.004 10 0 BIAERN CC[C@@H](C)C(=O)c1c(C)ccc2ccccc21 ZINC000142675242 360560892 /nfs/dbraw/zinc/56/08/92/360560892.db2.gz DVLAFSUXZZUPKX-LLVKDONJSA-N 0 0 226.319 4.377 10 0 BIAERN CC[C@H](C)C(=O)c1c(C)ccc2ccccc21 ZINC000142675455 360560779 /nfs/dbraw/zinc/56/07/79/360560779.db2.gz DVLAFSUXZZUPKX-NSHDSACASA-N 0 0 226.319 4.377 10 0 BIAERN Clc1cccc(-c2cc(Cl)ccn2)c1 ZINC000142956579 345864521 /nfs/dbraw/zinc/86/45/21/345864521.db2.gz RRZFWLIOTIYYNZ-UHFFFAOYSA-N 0 0 224.090 4.055 10 0 BIAERN CCCCCCSCCC(=O)CCC ZINC000143013909 345864525 /nfs/dbraw/zinc/86/45/25/345864525.db2.gz KUYKXYKBKGAHCK-UHFFFAOYSA-N 0 0 216.390 4.059 10 0 BIAERN CCCC(=O)c1cccc(-c2ccccc2)c1 ZINC000143031860 374126696 /nfs/dbraw/zinc/12/66/96/374126696.db2.gz HJSHJORTLNICNV-UHFFFAOYSA-N 0 0 224.303 4.336 10 0 BIAERN FC(F)Sc1cccc2ccccc21 ZINC000143234330 345865465 /nfs/dbraw/zinc/86/54/65/345865465.db2.gz PICFSFQLCHCRGQ-UHFFFAOYSA-N 0 0 210.248 4.155 10 0 BIAERN Cc1cc(O)cc(C)c1C1CCCCC1 ZINC000143274735 344331530 /nfs/dbraw/zinc/33/15/30/344331530.db2.gz QRICMBDACUNDAI-UHFFFAOYSA-N 0 0 204.313 4.057 10 0 BIAERN c1ccc(Nc2ccc3c(c2)CCCC3)cc1 ZINC000143286411 183419519 /nfs/dbraw/zinc/41/95/19/183419519.db2.gz BVEJKUFQXZTXNL-UHFFFAOYSA-N 0 0 223.319 4.309 10 0 BIAERN FC(F)Oc1c(Cl)ccc(Cl)c1Cl ZINC000143287044 374147724 /nfs/dbraw/zinc/14/77/24/374147724.db2.gz AQPSXSNGRMHDQE-UHFFFAOYSA-N 0 0 247.455 4.248 10 0 BIAERN CCCc1ccccc1-c1ccc(OC)cc1 ZINC000143287257 345865186 /nfs/dbraw/zinc/86/51/86/345865186.db2.gz XYQVOQCDPDPIJK-UHFFFAOYSA-N 0 0 226.319 4.315 10 0 BIAERN O=C1CCc2cc(-c3ccccc3Cl)ccc21 ZINC000143341040 345898384 /nfs/dbraw/zinc/89/83/84/345898384.db2.gz ZSCNNSMDFPQBPH-UHFFFAOYSA-N 0 0 242.705 4.136 10 0 BIAERN FC(F)Sc1c(Cl)cccc1Cl ZINC000143341933 583913110 /nfs/dbraw/zinc/91/31/10/583913110.db2.gz FUXFDDJOZYQWTJ-UHFFFAOYSA-N 0 0 229.078 4.308 10 0 BIAERN COc1ccccc1-c1ccccc1Cl ZINC000143451566 345866365 /nfs/dbraw/zinc/86/63/65/345866365.db2.gz ZOVOUTGYAJPMGC-UHFFFAOYSA-N 0 0 218.683 4.016 10 0 BIAERN CCCCC1(CCCC)CCC(=O)CC1 ZINC000143513646 345902761 /nfs/dbraw/zinc/90/27/61/345902761.db2.gz PGFRHDVDFUQDDV-UHFFFAOYSA-N 0 0 210.361 4.496 10 0 BIAERN CC(=O)c1ccc(-c2ccc(C)c(C)c2)c(F)c1 ZINC000143549752 345866072 /nfs/dbraw/zinc/86/60/72/345866072.db2.gz IYXPDZFZZGYHRA-UHFFFAOYSA-N 0 0 242.293 4.312 10 0 BIAERN CC(=O)c1cccc(-c2c(C)cccc2C)c1 ZINC000143613565 345866460 /nfs/dbraw/zinc/86/64/60/345866460.db2.gz SUHMTMSOQCKIMA-UHFFFAOYSA-N 0 0 224.303 4.173 10 0 BIAERN Cc1cccc(Cl)c1-c1cccc(C=O)c1 ZINC000143617549 345866424 /nfs/dbraw/zinc/86/64/24/345866424.db2.gz DGYCOUWQSDLCCK-UHFFFAOYSA-N 0 0 230.694 4.128 10 0 BIAERN Cc1cccc(C)c1-c1cccc([C@@H](C)O)c1 ZINC000143626475 345866053 /nfs/dbraw/zinc/86/60/53/345866053.db2.gz LWCDUHBMKHBLMV-CYBMUJFWSA-N 0 0 226.319 4.024 10 0 BIAERN Cc1cccc(C)c1-c1cccc([C@H](C)O)c1 ZINC000143626687 345866296 /nfs/dbraw/zinc/86/62/96/345866296.db2.gz LWCDUHBMKHBLMV-ZDUSSCGKSA-N 0 0 226.319 4.024 10 0 BIAERN Cc1cccc(C)c1-c1ccc(Cl)c(CO)c1 ZINC000143634345 345866159 /nfs/dbraw/zinc/86/61/59/345866159.db2.gz NIBKXYIHMKSWBG-UHFFFAOYSA-N 0 0 246.737 4.116 10 0 BIAERN CCCCCCNc1cc2ccccc2[nH]1 ZINC000143676702 583924719 /nfs/dbraw/zinc/92/47/19/583924719.db2.gz ZEBXFWUNLDKDKP-UHFFFAOYSA-N 0 0 216.328 4.160 10 0 BIAERN CC(=O)c1ccc(-c2ccc(C)c(C)c2)cc1F ZINC000143729644 345866765 /nfs/dbraw/zinc/86/67/65/345866765.db2.gz CAEHFLCVAPYRJG-UHFFFAOYSA-N 0 0 242.293 4.312 10 0 BIAERN Clc1ccc2cc(Cl)nc(Cl)c2c1 ZINC000143911161 384746473 /nfs/dbraw/zinc/74/64/73/384746473.db2.gz QGFGUSGNXGWHNY-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN Cc1csc2cc(Br)c(F)cc12 ZINC000143911721 356472777 /nfs/dbraw/zinc/47/27/77/356472777.db2.gz VOZLIZUVVLGSDZ-UHFFFAOYSA-N 0 0 245.116 4.111 10 0 BIAERN Cc1c(F)sc2ccc(Br)cc12 ZINC000143916431 342689561 /nfs/dbraw/zinc/68/95/61/342689561.db2.gz XBBGRCAFXGMTOM-UHFFFAOYSA-N 0 0 245.116 4.111 10 0 BIAERN c1ccc(-c2ccc(COCC3CC3)cc2)cc1 ZINC000143937366 342690975 /nfs/dbraw/zinc/69/09/75/342690975.db2.gz WQUADCDCPXDKRC-UHFFFAOYSA-N 0 0 238.330 4.280 10 0 BIAERN COc1cccc(Oc2cccc(C)c2C)c1 ZINC000143941925 342691033 /nfs/dbraw/zinc/69/10/33/342691033.db2.gz OSVSQAKOOJQDIQ-UHFFFAOYSA-N 0 0 228.291 4.104 10 0 BIAERN CCCCc1cnc(-c2ccc(CC)cc2)nc1 ZINC000144029633 188319229 /nfs/dbraw/zinc/31/92/29/188319229.db2.gz CXHUESOXZQPHHN-UHFFFAOYSA-N 0 0 240.350 4.049 10 0 BIAERN CC(C)CC1(CC(C)C)CCC(=O)CC1 ZINC000144036200 343129615 /nfs/dbraw/zinc/12/96/15/343129615.db2.gz PPJQGTCZBZILHX-UHFFFAOYSA-N 0 0 210.361 4.208 10 0 BIAERN COc1ccc2[nH]c(/C=C/c3ccccc3)cc2c1 ZINC000144049745 342695166 /nfs/dbraw/zinc/69/51/66/342695166.db2.gz FMUCFSOJVPMIAI-BQYQJAHWSA-N 0 0 249.313 4.347 10 0 BIAERN CC(C)(C)Cc1ccc(Br)cc1F ZINC000144082513 342697539 /nfs/dbraw/zinc/69/75/39/342697539.db2.gz UKYQEMIGAMFVMG-UHFFFAOYSA-N 0 0 245.135 4.177 10 0 BIAERN CCCc1ccccc1-c1ccc(O)cc1 ZINC000144207988 345918679 /nfs/dbraw/zinc/91/86/79/345918679.db2.gz QDHBJTPADFWRHA-UHFFFAOYSA-N 0 0 212.292 4.012 10 0 BIAERN COc1ccc(C2CCCCC2)c(C)c1 ZINC000144249810 343131511 /nfs/dbraw/zinc/13/15/11/343131511.db2.gz BGWNUNRDXSQVLN-UHFFFAOYSA-N 0 0 204.313 4.051 10 0 BIAERN C[C@@H](C=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000144296893 345919304 /nfs/dbraw/zinc/91/93/04/345919304.db2.gz JSVRIIHUQRPPHC-LBPRGKRZSA-N 0 0 244.378 4.338 10 0 BIAERN C[C@H](C=O)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000144297113 345919511 /nfs/dbraw/zinc/91/95/11/345919511.db2.gz JSVRIIHUQRPPHC-GFCCVEGCSA-N 0 0 244.378 4.338 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccc(SC)cc1 ZINC000144350614 374285840 /nfs/dbraw/zinc/28/58/40/374285840.db2.gz HBLJXFWOBRYJMT-SNVBAGLBSA-N 0 0 222.353 4.027 10 0 BIAERN CCC[C@H](C)C(=O)c1ccc(SC)cc1 ZINC000144350810 374285674 /nfs/dbraw/zinc/28/56/74/374285674.db2.gz HBLJXFWOBRYJMT-JTQLQIEISA-N 0 0 222.353 4.027 10 0 BIAERN O=C1C[C@@H](c2ccc(Cl)cc2)c2ccccc21 ZINC000144382134 345919888 /nfs/dbraw/zinc/91/98/88/345919888.db2.gz AOQJXZCTYHTMKY-AWEZNQCLSA-N 0 0 242.705 4.058 10 0 BIAERN Clc1ccc2[nH]c3ncc(Cl)cc3c2c1 ZINC000144473619 342743078 /nfs/dbraw/zinc/74/30/78/342743078.db2.gz FYWYJXDPVWEZKY-UHFFFAOYSA-N 0 0 237.089 4.023 10 0 BIAERN Fc1ccc2[nH]c3ccc(Cl)cc3c2c1 ZINC000144479611 343135109 /nfs/dbraw/zinc/13/51/09/343135109.db2.gz TYLAVLJXIAYKFM-UHFFFAOYSA-N 0 0 219.646 4.114 10 0 BIAERN Nc1ccccc1Cc1cc2ccccc2s1 ZINC000144577794 342746223 /nfs/dbraw/zinc/74/62/23/342746223.db2.gz LQCFTYLJNYDEHV-UHFFFAOYSA-N 0 0 239.343 4.074 10 0 BIAERN C=Cc1cc(F)ccc1OCc1ccccc1 ZINC000144591515 342747370 /nfs/dbraw/zinc/74/73/70/342747370.db2.gz BDEMEICIURLGKD-UHFFFAOYSA-N 0 0 228.266 4.048 10 0 BIAERN Cc1ccc(Cl)c(Cl)c1C(F)(F)F ZINC000144799279 345925414 /nfs/dbraw/zinc/92/54/14/345925414.db2.gz WRTBCQXZVHXICS-UHFFFAOYSA-N 0 0 229.028 4.321 10 0 BIAERN CC(C)[C@@H]1CCN(C(C)C)c2ccccc21 ZINC000144818995 343139486 /nfs/dbraw/zinc/13/94/86/343139486.db2.gz DRFSYHSNLXRWFV-ZDUSSCGKSA-N 0 0 217.356 4.045 10 0 BIAERN CC(C)[C@H]1CCN(C(C)C)c2ccccc21 ZINC000144819186 343139524 /nfs/dbraw/zinc/13/95/24/343139524.db2.gz DRFSYHSNLXRWFV-CYBMUJFWSA-N 0 0 217.356 4.045 10 0 BIAERN Cc1cc(C)cc(-c2cc3cc(N)ccc3[nH]2)c1 ZINC000144891851 343037256 /nfs/dbraw/zinc/03/72/56/343037256.db2.gz CRSWRWMNNQWAGO-UHFFFAOYSA-N 0 0 236.318 4.034 10 0 BIAERN CCc1cc(O)ccc1C1CCCCC1 ZINC000144903116 343043991 /nfs/dbraw/zinc/04/39/91/343043991.db2.gz IHHZFNCMHUFUOV-UHFFFAOYSA-N 0 0 204.313 4.002 10 0 BIAERN CCc1cc(Cl)cc(Cl)c1Cl ZINC000144906111 343142391 /nfs/dbraw/zinc/14/23/91/343142391.db2.gz AQGIROJSICKPSJ-UHFFFAOYSA-N 0 0 209.503 4.209 10 0 BIAERN Cc1cccc(-c2c[nH]c3ncc(Cl)cc23)c1 ZINC000144919965 342754551 /nfs/dbraw/zinc/75/45/51/342754551.db2.gz FRCGHLAZSPGULK-UHFFFAOYSA-N 0 0 242.709 4.192 10 0 BIAERN Clc1cccc(C2CC2)c1CBr ZINC000144933825 410535310 /nfs/dbraw/zinc/53/53/10/410535310.db2.gz CFSIELVVKLEBJZ-UHFFFAOYSA-N 0 0 245.547 4.112 10 0 BIAERN Nc1cc(Cl)ccc1-c1cc2ccccc2[nH]1 ZINC000145018132 342758093 /nfs/dbraw/zinc/75/80/93/342758093.db2.gz OOTXVOYFJNCKFK-UHFFFAOYSA-N 0 0 242.709 4.071 10 0 BIAERN C/C=C(\C)c1cccc(C2(O)CCCCC2)c1 ZINC000145295524 342760805 /nfs/dbraw/zinc/76/08/05/342760805.db2.gz UROZTWBLDKVCLN-QLKAYGNNSA-N 0 0 230.351 4.262 10 0 BIAERN c1cc(-c2ccccc2)[nH]c1Cc1ccccc1 ZINC000145387463 342761339 /nfs/dbraw/zinc/76/13/39/342761339.db2.gz NACCNHIWAAXBGY-UHFFFAOYSA-N 0 0 233.314 4.273 10 0 BIAERN Cc1c(Cl)cc(Cl)cc1OC(F)(F)F ZINC000145545863 344309914 /nfs/dbraw/zinc/30/99/14/344309914.db2.gz AHQMNVDPNARTHF-UHFFFAOYSA-N 0 0 245.027 4.200 10 0 BIAERN Clc1cc(Cl)c2c(Cl)cccc2n1 ZINC000145776757 259537371 /nfs/dbraw/zinc/53/73/71/259537371.db2.gz PVOFTAIVWVOBGR-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN CC(C)=Cc1cccc(NC(=O)C(C)(C)C)c1 ZINC000145792385 342763365 /nfs/dbraw/zinc/76/33/65/342763365.db2.gz UVGFBAJQJIDKKI-UHFFFAOYSA-N 0 0 231.339 4.094 10 0 BIAERN Cc1cc2ccccc2cc1C(F)(F)F ZINC000145814881 345213579 /nfs/dbraw/zinc/21/35/79/345213579.db2.gz YIBZROOVLDVQON-UHFFFAOYSA-N 0 0 210.198 4.167 10 0 BIAERN Cc1csc(Cl)c1NC(=O)OC(C)(C)C ZINC000145933802 345233415 /nfs/dbraw/zinc/23/34/15/345233415.db2.gz DGJMWEQRGKCBHM-UHFFFAOYSA-N 0 0 247.747 4.057 10 0 BIAERN O=c1c2ccccc2ccc2c(Cl)cccc21 ZINC000146115867 342765999 /nfs/dbraw/zinc/76/59/99/342765999.db2.gz IKUNSMJUUWYQEC-UHFFFAOYSA-N 0 0 240.689 4.007 10 0 BIAERN c1csc(Cc2ccc(-c3ccccc3)[nH]2)c1 ZINC000146230046 342768207 /nfs/dbraw/zinc/76/82/07/342768207.db2.gz HPWUFANABHYBHB-UHFFFAOYSA-N 0 0 239.343 4.334 10 0 BIAERN Nc1cccc2ccc(OCc3ccccc3)cc12 ZINC000146381252 356485807 /nfs/dbraw/zinc/48/58/07/356485807.db2.gz FJVIASJROLLOCR-UHFFFAOYSA-N 0 0 249.313 4.001 10 0 BIAERN O=Cc1ccccc1-c1csc2ccccc21 ZINC000146643050 342770094 /nfs/dbraw/zinc/77/00/94/342770094.db2.gz LZFKSZQLRGGARN-UHFFFAOYSA-N 0 0 238.311 4.381 10 0 BIAERN Clc1ccc(-c2cc3ccccc3s2)nn1 ZINC000146656465 487879836 /nfs/dbraw/zinc/87/98/36/487879836.db2.gz DMHAOTJKABKQIM-UHFFFAOYSA-N 0 0 246.722 4.012 10 0 BIAERN Clc1ccc2c(c1)Oc1ccccc1N=C2 ZINC000146746870 343306603 /nfs/dbraw/zinc/30/66/03/343306603.db2.gz UZZPJRQQMTWAOL-UHFFFAOYSA-N 0 0 229.666 4.196 10 0 BIAERN CC=CC=CC=CC1=COC(C)C1=S ZINC000146853443 342772683 /nfs/dbraw/zinc/77/26/83/342772683.db2.gz XMSZZVFPPINYMV-YUHUOFHPSA-N 0 0 206.310 4.022 10 0 BIAERN O=C1CCCc2cc(-c3ccc(F)cc3)ccc21 ZINC000146883309 342773131 /nfs/dbraw/zinc/77/31/31/342773131.db2.gz ADAQQUVWDOFOQC-UHFFFAOYSA-N 0 0 240.277 4.012 10 0 BIAERN C[C@H]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000147420931 342775609 /nfs/dbraw/zinc/77/56/09/342775609.db2.gz LFEKSGYNZDPMMD-GUYCJALGSA-N 0 0 222.331 4.205 10 0 BIAERN C=Cc1ccc2cc(OC)ccc2c1Cl ZINC000147466111 342776006 /nfs/dbraw/zinc/77/60/06/342776006.db2.gz JVVFXHAXEYNXHP-UHFFFAOYSA-N 0 0 218.683 4.145 10 0 BIAERN c1cc2c(cccc2OCc2ccccc2)o1 ZINC000147664130 342778627 /nfs/dbraw/zinc/77/86/27/342778627.db2.gz GVJZBESEMAEOKW-UHFFFAOYSA-N 0 0 224.259 4.012 10 0 BIAERN c1ccc(COc2cccc3c2CCCC3)cc1 ZINC000147678035 491071657 /nfs/dbraw/zinc/07/16/57/491071657.db2.gz IPVZMSJBHIXBNT-UHFFFAOYSA-N 0 0 238.330 4.144 10 0 BIAERN Cc1ccc([C@@H]2CCc3cc(C)ccc3O2)cc1 ZINC000147704610 384853081 /nfs/dbraw/zinc/85/30/81/384853081.db2.gz QGCPQXQKINGYLD-INIZCTEOSA-N 0 0 238.330 4.370 10 0 BIAERN Cc1ccc([C@H]2CCc3cc(C)ccc3O2)cc1 ZINC000147704801 384853343 /nfs/dbraw/zinc/85/33/43/384853343.db2.gz QGCPQXQKINGYLD-MRXNPFEDSA-N 0 0 238.330 4.370 10 0 BIAERN COc1ccc(Cl)cc1C1=CCCCC1 ZINC000147734736 342779195 /nfs/dbraw/zinc/77/91/95/342779195.db2.gz CXXMZGUSBSBQQZ-UHFFFAOYSA-N 0 0 222.715 4.306 10 0 BIAERN c1cn2c(n1)c1ccccc1cc2-c1ccccc1 ZINC000147831609 342782923 /nfs/dbraw/zinc/78/29/23/342782923.db2.gz AMARWAMZWLTAHQ-UHFFFAOYSA-N 0 0 244.297 4.155 10 0 BIAERN Cc1cc(OCc2ccccc2)cc2[nH]ccc21 ZINC000147930214 342783197 /nfs/dbraw/zinc/78/31/97/342783197.db2.gz BLPSMLLPUJSKTH-UHFFFAOYSA-N 0 0 237.302 4.055 10 0 BIAERN CC1(C)CCC(C)(C)c2cc3c(cc21)CCC3=O ZINC000148000445 342785927 /nfs/dbraw/zinc/78/59/27/342785927.db2.gz HHYYDVAFVOGXBT-UHFFFAOYSA-N 0 0 242.362 4.165 10 0 BIAERN c1nc(-c2cc3ccccc3s2)cs1 ZINC000148072880 342786798 /nfs/dbraw/zinc/78/67/98/342786798.db2.gz NYSHSFULUOOFNK-UHFFFAOYSA-N 0 0 217.318 4.025 10 0 BIAERN CCCCC/C=C\C/C=C\C(C)(C)CO ZINC000148146852 342788473 /nfs/dbraw/zinc/78/84/73/342788473.db2.gz JJWXDDJIQNJCCI-MURFETPASA-N 0 0 210.361 4.088 10 0 BIAERN Oc1ccc(-c2ccccc2)cc1CC1CC1 ZINC000148249954 343390071 /nfs/dbraw/zinc/39/00/71/343390071.db2.gz IJVOTBQTWGYIPO-UHFFFAOYSA-N 0 0 224.303 4.012 10 0 BIAERN Cc1ccc(-c2ccc(C)c(F)c2F)cc1F ZINC000148262371 342789610 /nfs/dbraw/zinc/78/96/10/342789610.db2.gz SPBBSQHISUDMFA-UHFFFAOYSA-N 0 0 236.236 4.388 10 0 BIAERN CC(C)c1ccc2c(c1)C(C)(C)CCC2=O ZINC000148339441 583915987 /nfs/dbraw/zinc/91/59/87/583915987.db2.gz KHYRWTMPPGUPRP-UHFFFAOYSA-N 0 0 216.324 4.064 10 0 BIAERN COc1ccc(-c2ccccc2)cc1CC1CC1 ZINC000148408678 342791069 /nfs/dbraw/zinc/79/10/69/342791069.db2.gz SVQKLRORTYJVKY-UHFFFAOYSA-N 0 0 238.330 4.315 10 0 BIAERN CCCCNc1ccc2ccccc2c1N=O ZINC000148515343 342791425 /nfs/dbraw/zinc/79/14/25/342791425.db2.gz SBKZFVXTXPNSHX-UHFFFAOYSA-N 0 0 228.295 4.450 10 0 BIAERN Cc1ccccc1Oc1cc(Cl)ccc1O ZINC000148525748 342791456 /nfs/dbraw/zinc/79/14/56/342791456.db2.gz ILPAOMQHGBAUIB-UHFFFAOYSA-N 0 0 234.682 4.146 10 0 BIAERN CCc1sc2ccccc2c1Br ZINC000148575633 342791774 /nfs/dbraw/zinc/79/17/74/342791774.db2.gz VNPROTONRKSLJF-UHFFFAOYSA-N 0 0 241.153 4.226 10 0 BIAERN CCCCC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000148601866 342792199 /nfs/dbraw/zinc/79/21/99/342792199.db2.gz WDYFHNRWECNPMS-UHFFFAOYSA-N 0 0 235.714 4.194 10 0 BIAERN Clc1cccc2c1CCN=C2C1CCCCC1 ZINC000148691727 342792345 /nfs/dbraw/zinc/79/23/45/342792345.db2.gz HJVNJJOLPDOHFN-UHFFFAOYSA-N 0 0 247.769 4.266 10 0 BIAERN CC/C=C/c1ccc2ccccc2c1C=O ZINC000148694868 346411685 /nfs/dbraw/zinc/41/16/85/346411685.db2.gz JFHWNUMYTUPNMD-ZZXKWVIFSA-N 0 0 210.276 4.076 10 0 BIAERN CCc1ccc(O)c(C(C)(C)c2ccccc2)c1 ZINC000148764089 343394866 /nfs/dbraw/zinc/39/48/66/343394866.db2.gz NYBZKSOSCRNASK-UHFFFAOYSA-N 0 0 240.346 4.281 10 0 BIAERN Cc1ccc2cc(OC(F)(F)F)ccc2c1 ZINC000148912602 346488398 /nfs/dbraw/zinc/48/83/98/346488398.db2.gz PJMXQRXBWWLCAS-UHFFFAOYSA-N 0 0 226.197 4.047 10 0 BIAERN Clc1ccc2ccc3ccncc3c2c1 ZINC000148941435 342792620 /nfs/dbraw/zinc/79/26/20/342792620.db2.gz UKNKWNFLYJPRRZ-UHFFFAOYSA-N 0 0 213.667 4.041 10 0 BIAERN CCCOc1c(C)c(C)c(C=O)c2ccccc21 ZINC000148975477 343416927 /nfs/dbraw/zinc/41/69/27/343416927.db2.gz QGJZAOUDRYLXQV-UHFFFAOYSA-N 0 0 242.318 4.058 10 0 BIAERN Cc1ccc2c(F)cccc2c1Br ZINC000149000804 346075517 /nfs/dbraw/zinc/07/55/17/346075517.db2.gz ZOWQAGWJSARHNT-UHFFFAOYSA-N 0 0 239.087 4.050 10 0 BIAERN O=C(CCC1CCCCC1)C1CCCC1 ZINC000149015139 346517761 /nfs/dbraw/zinc/51/77/61/346517761.db2.gz VUBVLOHQXTVMLK-UHFFFAOYSA-N 0 0 208.345 4.106 10 0 BIAERN CC(C)Nc1ccc2ccccc2c1N=O ZINC000149222712 342793482 /nfs/dbraw/zinc/79/34/82/342793482.db2.gz MKYOFTLNDYYJKP-UHFFFAOYSA-N 0 0 214.268 4.058 10 0 BIAERN CC(C)Oc1ccccc1C(=O)CC(C)(C)C ZINC000149235792 346612840 /nfs/dbraw/zinc/61/28/40/346612840.db2.gz GQEVCKMQJCUEGV-UHFFFAOYSA-N 0 0 234.339 4.093 10 0 BIAERN Cc1ccc(-c2ccccc2C)c(F)c1 ZINC000149296006 638295919 /nfs/dbraw/zinc/29/59/19/638295919.db2.gz KSNKSQYUWUJWFN-UHFFFAOYSA-N 0 0 200.256 4.110 10 0 BIAERN FC(F)(F)c1ccc(-c2cnc(Cl)o2)cc1 ZINC000149619164 385352397 /nfs/dbraw/zinc/35/23/97/385352397.db2.gz ZHDYCOZXSGWVIR-UHFFFAOYSA-N 0 0 247.603 4.014 10 0 BIAERN CCCC[C@@](C)(O)c1ccc(Cl)cc1Cl ZINC000149632582 347387890 /nfs/dbraw/zinc/38/78/90/347387890.db2.gz XNKXYHJFDVPUOI-GFCCVEGCSA-N 0 0 247.165 4.391 10 0 BIAERN CCCC[C@](C)(O)c1ccc(Cl)cc1Cl ZINC000149632804 387658442 /nfs/dbraw/zinc/65/84/42/387658442.db2.gz XNKXYHJFDVPUOI-LBPRGKRZSA-N 0 0 247.165 4.391 10 0 BIAERN C(=C\c1ccc2ccccc2c1)\c1cccnc1 ZINC000149681285 342793848 /nfs/dbraw/zinc/79/38/48/342793848.db2.gz LYKXVZAJSYRSOA-FPLPWBNLSA-N 0 0 231.298 4.405 10 0 BIAERN Nc1cc2ccccc2c(OCc2ccccc2)c1 ZINC000149763537 347514009 /nfs/dbraw/zinc/51/40/09/347514009.db2.gz KKHIJXXDIUGLMH-UHFFFAOYSA-N 0 0 249.313 4.001 10 0 BIAERN CSc1ccc(OCc2ccccc2)cc1C ZINC000149811454 342794889 /nfs/dbraw/zinc/79/48/89/342794889.db2.gz MVSLVOKTBKKANG-UHFFFAOYSA-N 0 0 244.359 4.296 10 0 BIAERN O=Cc1ccc(-c2cccc(-c3ccccc3)c2)o1 ZINC000149816641 639180435 /nfs/dbraw/zinc/18/04/35/639180435.db2.gz ZFRYNGPXDVZQGK-UHFFFAOYSA-N 0 0 248.281 4.426 10 0 BIAERN Cc1cccc(-c2ccc3c(c2)CCC[C@@H]3O)c1 ZINC000149885578 384256881 /nfs/dbraw/zinc/25/68/81/384256881.db2.gz WLGQCXZMXPELBT-KRWDZBQOSA-N 0 0 238.330 4.032 10 0 BIAERN Cc1cccc(-c2ccc3c(c2)CCC[C@H]3O)c1 ZINC000149885784 342794560 /nfs/dbraw/zinc/79/45/60/342794560.db2.gz WLGQCXZMXPELBT-QGZVFWFLSA-N 0 0 238.330 4.032 10 0 BIAERN Cc1ccc2ccccc2c1[C@@H](O)c1ccccc1 ZINC000149967232 387691466 /nfs/dbraw/zinc/69/14/66/387691466.db2.gz JECPBKTYUCQQRC-SFHVURJKSA-N 0 0 248.325 4.230 10 0 BIAERN Cc1ccc2ccccc2c1[C@H](O)c1ccccc1 ZINC000149967436 178971786 /nfs/dbraw/zinc/97/17/86/178971786.db2.gz JECPBKTYUCQQRC-GOSISDBHSA-N 0 0 248.325 4.230 10 0 BIAERN COc1cc2c(cc1C(C)C)CCC[C@@H]2C ZINC000150162798 342797571 /nfs/dbraw/zinc/79/75/71/342797571.db2.gz GMKHJDVRMLIECW-NSHDSACASA-N 0 0 218.340 4.258 10 0 BIAERN COc1cc2c(cc1C(C)C)CCC[C@H]2C ZINC000150162991 342797660 /nfs/dbraw/zinc/79/76/60/342797660.db2.gz GMKHJDVRMLIECW-LLVKDONJSA-N 0 0 218.340 4.258 10 0 BIAERN Cc1cc(Cl)c(C)c2c1[C@H](C)CCC2=O ZINC000150202015 349967324 /nfs/dbraw/zinc/96/73/24/349967324.db2.gz LNVGQMXIBCIGMA-SSDOTTSWSA-N 0 0 222.715 4.037 10 0 BIAERN Cc1cc(Cl)c(C)c2c1[C@@H](C)CCC2=O ZINC000150202197 349967350 /nfs/dbraw/zinc/96/73/50/349967350.db2.gz LNVGQMXIBCIGMA-ZETCQYMHSA-N 0 0 222.715 4.037 10 0 BIAERN CC(C)c1ccc(O)c(Oc2ccccc2)c1 ZINC000150275073 343481731 /nfs/dbraw/zinc/48/17/31/343481731.db2.gz KHOXTJVPNWYPKI-UHFFFAOYSA-N 0 0 228.291 4.308 10 0 BIAERN c1ccc([C@@H]2CCNc3ccccc3S2)cc1 ZINC000150312463 384205716 /nfs/dbraw/zinc/20/57/16/384205716.db2.gz CKXUSARDQVQRGT-AWEZNQCLSA-N 0 0 241.359 4.336 10 0 BIAERN c1ccc([C@H]2CCNc3ccccc3S2)cc1 ZINC000150312676 384205367 /nfs/dbraw/zinc/20/53/67/384205367.db2.gz CKXUSARDQVQRGT-CQSZACIVSA-N 0 0 241.359 4.336 10 0 BIAERN O=[PH](C1CCCCC1)C1CCCCC1 ZINC000150339440 384981893 /nfs/dbraw/zinc/98/18/93/384981893.db2.gz LMZHXYGJIFEDSC-UHFFFAOYSA-N 0 0 214.289 4.212 10 0 BIAERN Cc1ccc(-c2cc(Cl)ccc2O)s1 ZINC000156772946 385469193 /nfs/dbraw/zinc/46/91/93/385469193.db2.gz YRPZYKLRUYURCR-UHFFFAOYSA-N 0 0 224.712 4.083 10 0 BIAERN CCc1sc([C@@H](C)Nc2ccccn2)cc1C ZINC000157775802 385278596 /nfs/dbraw/zinc/27/85/96/385278596.db2.gz VNUNQHSTBNEMFD-LLVKDONJSA-N 0 0 246.379 4.187 10 0 BIAERN CCc1sc([C@H](C)Nc2ccccn2)cc1C ZINC000157775959 541309605 /nfs/dbraw/zinc/30/96/05/541309605.db2.gz VNUNQHSTBNEMFD-NSHDSACASA-N 0 0 246.379 4.187 10 0 BIAERN CCc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)o1 ZINC000158200372 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/nfs/dbraw/zinc/62/36/78/346623678.db2.gz HJVFDPRGILOUKS-UHFFFAOYSA-N 0 0 209.358 4.279 10 0 BIAERN CCC1CCC(c2ncc(C)s2)CC1 ZINC000164757364 346623699 /nfs/dbraw/zinc/62/36/99/346623699.db2.gz QKZQYRZTAYASGW-UHFFFAOYSA-N 0 0 209.358 4.135 10 0 BIAERN Cc1cscc1-c1ncc(C(C)C)s1 ZINC000164780395 346625444 /nfs/dbraw/zinc/62/54/44/346625444.db2.gz AIYRFUCGYVDCIS-UHFFFAOYSA-N 0 0 223.366 4.303 10 0 BIAERN CC(C)c1cnc([C@@H]2CCCCS2)s1 ZINC000164786592 346625560 /nfs/dbraw/zinc/62/55/60/346625560.db2.gz DAWXKSQDOPSTKG-VIFPVBQESA-N 0 0 227.398 4.225 10 0 BIAERN CC(C)c1cnc([C@H]2CCCCS2)s1 ZINC000164786682 346625509 /nfs/dbraw/zinc/62/55/09/346625509.db2.gz DAWXKSQDOPSTKG-SECBINFHSA-N 0 0 227.398 4.225 10 0 BIAERN CC[C@@H](C)c1csc([C@@H]2CCCS2)n1 ZINC000164789354 346626079 /nfs/dbraw/zinc/62/60/79/346626079.db2.gz SGVQUSVZIHKVPH-SCZZXKLOSA-N 0 0 227.398 4.225 10 0 BIAERN CC[C@H](C)c1csc([C@@H]2CCCS2)n1 ZINC000164789460 346626090 /nfs/dbraw/zinc/62/60/90/346626090.db2.gz SGVQUSVZIHKVPH-WPRPVWTQSA-N 0 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ZINC000164948093 342860600 /nfs/dbraw/zinc/86/06/00/342860600.db2.gz MIWXSYBNTHVCDJ-UHFFFAOYSA-N 0 0 243.690 4.036 10 0 BIAERN Cc1cc(F)ccc1Oc1nc(Cl)cs1 ZINC000164952347 342859640 /nfs/dbraw/zinc/85/96/40/342859640.db2.gz ALDPHZBTSHHKCH-UHFFFAOYSA-N 0 0 243.690 4.036 10 0 BIAERN CC(C)c1ccc(N[C@@H](C)c2cncs2)cc1 ZINC000164963091 385055807 /nfs/dbraw/zinc/05/58/07/385055807.db2.gz NAAKBDMKPKKEGX-NSHDSACASA-N 0 0 246.379 4.440 10 0 BIAERN CC(C)c1ccc(N[C@H](C)c2cncs2)cc1 ZINC000164963199 385053698 /nfs/dbraw/zinc/05/36/98/385053698.db2.gz NAAKBDMKPKKEGX-LLVKDONJSA-N 0 0 246.379 4.440 10 0 BIAERN Clc1csc(NC2CCCCCCC2)n1 ZINC000164971147 342860892 /nfs/dbraw/zinc/86/08/92/342860892.db2.gz HLHIXPMCFXCPSY-UHFFFAOYSA-N 0 0 244.791 4.321 10 0 BIAERN C[C@@H]1CCC[C@H](Nc2nc(Cl)cs2)[C@@H]1C ZINC000164973350 342861446 /nfs/dbraw/zinc/86/14/46/342861446.db2.gz OHJMMEXCHDRSIC-HLTSFMKQSA-N 0 0 244.791 4.033 10 0 BIAERN C[C@@H]1CCC[C@@H](Nc2nc(Cl)cs2)[C@@H]1C ZINC000164973592 342861329 /nfs/dbraw/zinc/86/13/29/342861329.db2.gz OHJMMEXCHDRSIC-IWSPIJDZSA-N 0 0 244.791 4.033 10 0 BIAERN Clc1csc(NCCC2CCCCC2)n1 ZINC000164987511 342863055 /nfs/dbraw/zinc/86/30/55/342863055.db2.gz OUVRPEVBGQASOO-UHFFFAOYSA-N 0 0 244.791 4.179 10 0 BIAERN CC(C)c1cccc(N[C@@H](C)c2cncs2)c1 ZINC000164992103 167633582 /nfs/dbraw/zinc/63/35/82/167633582.db2.gz XVVSYNFVGLZXPU-NSHDSACASA-N 0 0 246.379 4.440 10 0 BIAERN CC(C)c1cccc(N[C@H](C)c2cncs2)c1 ZINC000164992232 517487684 /nfs/dbraw/zinc/48/76/84/517487684.db2.gz XVVSYNFVGLZXPU-LLVKDONJSA-N 0 0 246.379 4.440 10 0 BIAERN CCCc1ccc(N[C@@H](C)c2cncs2)cc1 ZINC000164994177 633085360 /nfs/dbraw/zinc/08/53/60/633085360.db2.gz YINVMHQUKZAQOL-NSHDSACASA-N 0 0 246.379 4.269 10 0 BIAERN Clc1csc(NCCC2=CCCCC2)n1 ZINC000164996057 342864376 /nfs/dbraw/zinc/86/43/76/342864376.db2.gz HZBQRFPEQMFXIB-UHFFFAOYSA-N 0 0 242.775 4.099 10 0 BIAERN C[C@H](Nc1nc(Cl)cs1)c1ccsc1 ZINC000165027160 342869878 /nfs/dbraw/zinc/86/98/78/342869878.db2.gz 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UTYVSWVPQQPSNF-IWSPIJDZSA-N 0 0 244.791 4.033 10 0 BIAERN Clc1csc(Nc2ccccc2Cl)n1 ZINC000165101254 342874712 /nfs/dbraw/zinc/87/47/12/342874712.db2.gz ULEZOGQBQYFADR-UHFFFAOYSA-N 0 0 245.134 4.194 10 0 BIAERN CCc1cccc(Nc2nc(Cl)cs2)c1 ZINC000165102749 342875294 /nfs/dbraw/zinc/87/52/94/342875294.db2.gz FKRHGZSDQHWMSZ-UHFFFAOYSA-N 0 0 238.743 4.103 10 0 BIAERN Cc1ccccc1-c1c(O)cccc1Cl ZINC000165201687 343137851 /nfs/dbraw/zinc/13/78/51/343137851.db2.gz WDCKYURPYPFKDJ-UHFFFAOYSA-N 0 0 218.683 4.021 10 0 BIAERN Cc1cccc(C(=O)CCC2CCCC2)c1C ZINC000165231164 342886871 /nfs/dbraw/zinc/88/68/71/342886871.db2.gz ICOIXFSWDFWSIX-UHFFFAOYSA-N 0 0 230.351 4.457 10 0 BIAERN CCC[C@@H](C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000165238218 342888973 /nfs/dbraw/zinc/88/89/73/342888973.db2.gz JPQGKBQAFZSLIX-SECBINFHSA-N 0 0 244.256 4.324 10 0 BIAERN CCC[C@H](C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000165238321 342889059 /nfs/dbraw/zinc/88/90/59/342889059.db2.gz JPQGKBQAFZSLIX-VIFPVBQESA-N 0 0 244.256 4.324 10 0 BIAERN Cc1cc(Cl)ccc1-c1c(O)cccc1F ZINC000165240119 343139506 /nfs/dbraw/zinc/13/95/06/343139506.db2.gz CVRDKPDGVPOYLL-UHFFFAOYSA-N 0 0 236.673 4.160 10 0 BIAERN Clc1csc(SC2CCCCC2)n1 ZINC000165259342 342892620 /nfs/dbraw/zinc/89/26/20/342892620.db2.gz KMEZNWNZXOGKMP-UHFFFAOYSA-N 0 0 233.789 4.221 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccc2ccccc2c1 ZINC000165267888 342893582 /nfs/dbraw/zinc/89/35/82/342893582.db2.gz DGMOSCSVJBTEOW-GFCCVEGCSA-N 0 0 226.319 4.459 10 0 BIAERN CCC[C@H](C)C(=O)c1ccc2ccccc2c1 ZINC000165267996 342893583 /nfs/dbraw/zinc/89/35/83/342893583.db2.gz DGMOSCSVJBTEOW-LBPRGKRZSA-N 0 0 226.319 4.459 10 0 BIAERN CCCC[C@@H](CC)C(=O)c1cc(F)cc(F)c1 ZINC000165294834 342900606 /nfs/dbraw/zinc/90/06/06/342900606.db2.gz KCLTYEZCFSMXKM-SNVBAGLBSA-N 0 0 240.293 4.364 10 0 BIAERN CCCC[C@H](CC)C(=O)c1cc(F)cc(F)c1 ZINC000165294957 342900607 /nfs/dbraw/zinc/90/06/07/342900607.db2.gz KCLTYEZCFSMXKM-JTQLQIEISA-N 0 0 240.293 4.364 10 0 BIAERN CCCC(CCC)C(=O)c1cc(F)cc(F)c1 ZINC000165300284 342900851 /nfs/dbraw/zinc/90/08/51/342900851.db2.gz UQAROSCWXAJVBS-UHFFFAOYSA-N 0 0 240.293 4.364 10 0 BIAERN O=C(CCC1CCCC1)c1cc(F)cc(F)c1 ZINC000165303176 346647370 /nfs/dbraw/zinc/64/73/70/346647370.db2.gz ODBMGVKPKWLPQY-UHFFFAOYSA-N 0 0 238.277 4.118 10 0 BIAERN Cc1ccc(F)cc1C(=O)CCC1CCCC1 ZINC000165315734 342907980 /nfs/dbraw/zinc/90/79/80/342907980.db2.gz VRRXAJJLNUJMDF-UHFFFAOYSA-N 0 0 234.314 4.287 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000165323262 342910847 /nfs/dbraw/zinc/91/08/47/342910847.db2.gz UTXZMCIRIQMTHF-SECBINFHSA-N 0 0 244.256 4.324 10 0 BIAERN CCC[C@H](C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000165323396 342910851 /nfs/dbraw/zinc/91/08/51/342910851.db2.gz UTXZMCIRIQMTHF-VIFPVBQESA-N 0 0 244.256 4.324 10 0 BIAERN C/C=C(\c1ccccc1)c1ccc(C)cc1 ZINC000165335568 343141035 /nfs/dbraw/zinc/14/10/35/343141035.db2.gz RCOUBCNXLLBVHC-HQYXKAPLSA-N 0 0 208.304 4.447 10 0 BIAERN Cc1cc(F)ccc1C(=O)CCC1CCCC1 ZINC000165344334 342920064 /nfs/dbraw/zinc/92/00/64/342920064.db2.gz VAJWDHKOUGNNGQ-UHFFFAOYSA-N 0 0 234.314 4.287 10 0 BIAERN CCC(CC)C(=O)c1ccccc1C(F)(F)F ZINC000165442813 343349618 /nfs/dbraw/zinc/34/96/18/343349618.db2.gz SLWRANJFMXODEI-UHFFFAOYSA-N 0 0 244.256 4.324 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccccc1C(F)(F)F ZINC000165443334 343349711 /nfs/dbraw/zinc/34/97/11/343349711.db2.gz JFIIKCMKDIDJQV-SECBINFHSA-N 0 0 244.256 4.324 10 0 BIAERN CCC[C@H](C)C(=O)c1ccccc1C(F)(F)F ZINC000165443460 343349715 /nfs/dbraw/zinc/34/97/15/343349715.db2.gz JFIIKCMKDIDJQV-VIFPVBQESA-N 0 0 244.256 4.324 10 0 BIAERN CC(C)(C)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000165473383 343432642 /nfs/dbraw/zinc/43/26/42/343432642.db2.gz SKUOJPNOXNYQBJ-UHFFFAOYSA-N 0 0 248.219 4.073 10 0 BIAERN CC1(C)CC(=O)c2ccc(-c3ccccc3)cc21 ZINC000165621046 343193000 /nfs/dbraw/zinc/19/30/00/343193000.db2.gz AJEULUDUDAARKI-UHFFFAOYSA-N 0 0 236.314 4.218 10 0 BIAERN CCCC[C@@H](CC)C(=O)c1c(F)cccc1F ZINC000165638276 384056784 /nfs/dbraw/zinc/05/67/84/384056784.db2.gz IHTYMBJRSKDQEJ-SNVBAGLBSA-N 0 0 240.293 4.364 10 0 BIAERN CCCC[C@H](CC)C(=O)c1c(F)cccc1F ZINC000165638396 384056924 /nfs/dbraw/zinc/05/69/24/384056924.db2.gz IHTYMBJRSKDQEJ-JTQLQIEISA-N 0 0 240.293 4.364 10 0 BIAERN CCCC(CCC)C(=O)c1c(F)cccc1F ZINC000165644301 343942896 /nfs/dbraw/zinc/94/28/96/343942896.db2.gz ZVSFCCRIYMEJLD-UHFFFAOYSA-N 0 0 240.293 4.364 10 0 BIAERN O=C(CCC1CCCC1)c1c(F)cccc1F ZINC000165647982 343942987 /nfs/dbraw/zinc/94/29/87/343942987.db2.gz FZCIYJVVMDFTEB-UHFFFAOYSA-N 0 0 238.277 4.118 10 0 BIAERN CCCC[C@@H](CC)C(=O)c1cccc(F)c1F ZINC000165699556 343963830 /nfs/dbraw/zinc/96/38/30/343963830.db2.gz LYZDFDPSLDPKNJ-SNVBAGLBSA-N 0 0 240.293 4.364 10 0 BIAERN CCCC[C@H](CC)C(=O)c1cccc(F)c1F ZINC000165699682 343963800 /nfs/dbraw/zinc/96/38/00/343963800.db2.gz LYZDFDPSLDPKNJ-JTQLQIEISA-N 0 0 240.293 4.364 10 0 BIAERN CCCC(CCC)C(=O)c1cccc(F)c1F ZINC000165706675 343965284 /nfs/dbraw/zinc/96/52/84/343965284.db2.gz ZGVLTWYECINLAH-UHFFFAOYSA-N 0 0 240.293 4.364 10 0 BIAERN O=C(CCC1CCCC1)c1cccc(F)c1F ZINC000165711480 346657220 /nfs/dbraw/zinc/65/72/20/346657220.db2.gz RRTMBESNXCREGI-UHFFFAOYSA-N 0 0 238.277 4.118 10 0 BIAERN C[C@@H](Br)/C=C/c1ccc(Cl)cc1 ZINC000165979359 344264271 /nfs/dbraw/zinc/26/42/71/344264271.db2.gz AFRUAKFHPUTHOE-UFUPEUMYSA-N 0 0 245.547 4.137 10 0 BIAERN C[C@H](Br)/C=C/c1ccc(Cl)cc1 ZINC000165979604 344264248 /nfs/dbraw/zinc/26/42/48/344264248.db2.gz AFRUAKFHPUTHOE-SGJFDWMWSA-N 0 0 245.547 4.137 10 0 BIAERN Cc1cccc(-c2ccc3c(c2)CCCC3=O)c1 ZINC000166040850 343301812 /nfs/dbraw/zinc/30/18/12/343301812.db2.gz CZVXJGROQFOWHJ-UHFFFAOYSA-N 0 0 236.314 4.181 10 0 BIAERN CC(C)(C)c1cccc(C2(O)CCCCC2)c1 ZINC000166074716 343302865 /nfs/dbraw/zinc/30/28/65/343302865.db2.gz JXNIXCBNKNGHNB-UHFFFAOYSA-N 0 0 232.367 4.136 10 0 BIAERN CC(=O)c1cc(C(C)(C)C)ccc1C(C)(C)C ZINC000166180903 343310981 /nfs/dbraw/zinc/31/09/81/343310981.db2.gz DNMFJAQNZXOULJ-UHFFFAOYSA-N 0 0 232.367 4.484 10 0 BIAERN COc1cccc(F)c1-c1ccccc1Cl ZINC000166231858 346668909 /nfs/dbraw/zinc/66/89/09/346668909.db2.gz NQUUSWHQKLAALI-UHFFFAOYSA-N 0 0 236.673 4.155 10 0 BIAERN Clc1ccc(/N=N/c2ccccc2)nc1 ZINC000166305836 346671591 /nfs/dbraw/zinc/67/15/91/346671591.db2.gz FVIVOIXRRRUVLA-CCEZHUSRSA-N 0 0 217.659 4.150 10 0 BIAERN O=C1CCCc2cc(-c3cccc(F)c3)ccc21 ZINC000166423750 346675941 /nfs/dbraw/zinc/67/59/41/346675941.db2.gz ZFPRQSFZXQQSJY-UHFFFAOYSA-N 0 0 240.277 4.012 10 0 BIAERN C[C@]1(c2cc(Cl)ccc2Cl)CCC(=O)C1 ZINC000166863292 345914977 /nfs/dbraw/zinc/91/49/77/345914977.db2.gz NCLKRJDNKNQBAO-LBPRGKRZSA-N 0 0 243.133 4.004 10 0 BIAERN C[C@@]1(c2cc(Cl)ccc2Cl)CCC(=O)C1 ZINC000166863408 345914994 /nfs/dbraw/zinc/91/49/94/345914994.db2.gz NCLKRJDNKNQBAO-GFCCVEGCSA-N 0 0 243.133 4.004 10 0 BIAERN COc1cccc(Cl)c1-c1ccccc1C ZINC000166897186 344298017 /nfs/dbraw/zinc/29/80/17/344298017.db2.gz HMZACYGKJLCUNQ-UHFFFAOYSA-N 0 0 232.710 4.324 10 0 BIAERN Cc1ccc(Oc2cc(Cl)ccc2O)cc1 ZINC000167265438 345250987 /nfs/dbraw/zinc/25/09/87/345250987.db2.gz CLKFSKCKZRAGQV-UHFFFAOYSA-N 0 0 234.682 4.146 10 0 BIAERN CCCC1=Cc2c(F)c(F)ccc2CC1 ZINC000167267783 345289711 /nfs/dbraw/zinc/28/97/11/345289711.db2.gz VBXPJVQFBVFAQZ-UHFFFAOYSA-N 0 0 208.251 4.095 10 0 BIAERN Cc1cccc(Oc2cc(Cl)ccc2O)c1 ZINC000167301161 345507040 /nfs/dbraw/zinc/50/70/40/345507040.db2.gz ASIGKFOJKVNSGF-UHFFFAOYSA-N 0 0 234.682 4.146 10 0 BIAERN Cc1cc(O)cc2occ(-c3ccccc3)c21 ZINC000167324996 343592385 /nfs/dbraw/zinc/59/23/85/343592385.db2.gz KQRBIKUVAIVYQB-UHFFFAOYSA-N 0 0 224.259 4.114 10 0 BIAERN CCc1ccc(OC)c(Oc2ccccc2)c1 ZINC000167374348 345789563 /nfs/dbraw/zinc/78/95/63/345789563.db2.gz GUPKAFCZWGUNSD-UHFFFAOYSA-N 0 0 228.291 4.050 10 0 BIAERN CCc1ccc(OC)c(Oc2ccccc2C)c1 ZINC000167376244 343593853 /nfs/dbraw/zinc/59/38/53/343593853.db2.gz HXKHJXXGQXUDAW-UHFFFAOYSA-N 0 0 242.318 4.358 10 0 BIAERN Cc1oc2cc(O)ccc2c1-c1ccccc1 ZINC000167390335 345789600 /nfs/dbraw/zinc/78/96/00/345789600.db2.gz NZDIUSUEZVBXCI-UHFFFAOYSA-N 0 0 224.259 4.114 10 0 BIAERN CCc1ccc(O)c(Oc2ccccc2C)c1 ZINC000167436195 343593964 /nfs/dbraw/zinc/59/39/64/343593964.db2.gz JLWSTZCKSHJRGJ-UHFFFAOYSA-N 0 0 228.291 4.055 10 0 BIAERN O=C(c1cccc(F)c1Cl)C1CCCCC1 ZINC000167732279 346916303 /nfs/dbraw/zinc/91/63/03/346916303.db2.gz LWKSUABVQSIMPV-UHFFFAOYSA-N 0 0 240.705 4.242 10 0 BIAERN Cc1cccc(C(=O)C2CCCCC2)c1Cl ZINC000167737565 346916311 /nfs/dbraw/zinc/91/63/11/346916311.db2.gz IDMBTWWCHQXSLN-UHFFFAOYSA-N 0 0 236.742 4.411 10 0 BIAERN O=C(c1c(Cl)cccc1Cl)C1CCCC1 ZINC000167749411 346922519 /nfs/dbraw/zinc/92/25/19/346922519.db2.gz ZRHZZFPDXGNEQY-UHFFFAOYSA-N 0 0 243.133 4.366 10 0 BIAERN Cc1cc(C(=O)C2CCCC2)ccc1Cl ZINC000167753094 346935517 /nfs/dbraw/zinc/93/55/17/346935517.db2.gz TXBVEUXGVYOJSM-UHFFFAOYSA-N 0 0 222.715 4.021 10 0 BIAERN Cc1cccc(C(=O)C2CCCC2)c1Cl ZINC000167753342 346936321 /nfs/dbraw/zinc/93/63/21/346936321.db2.gz NGVZQJITTAGIFL-UHFFFAOYSA-N 0 0 222.715 4.021 10 0 BIAERN CC(C)CC(=O)c1c(Cl)cccc1Cl ZINC000167758842 346937107 /nfs/dbraw/zinc/93/71/07/346937107.db2.gz UWLGHRULKGEYCX-UHFFFAOYSA-N 0 0 231.122 4.222 10 0 BIAERN CCCC[C@@H](CC)C(=O)c1cccc(C)c1 ZINC000167772526 347046998 /nfs/dbraw/zinc/04/69/98/347046998.db2.gz MSEYQVSHFCHVDW-CYBMUJFWSA-N 0 0 218.340 4.394 10 0 BIAERN CCCC[C@H](CC)C(=O)c1cccc(C)c1 ZINC000167772632 347046933 /nfs/dbraw/zinc/04/69/33/347046933.db2.gz MSEYQVSHFCHVDW-ZDUSSCGKSA-N 0 0 218.340 4.394 10 0 BIAERN CCCC(CCC)C(=O)c1cccc(C)c1 ZINC000167775810 347048649 /nfs/dbraw/zinc/04/86/49/347048649.db2.gz UARZSZPATGYUHI-UHFFFAOYSA-N 0 0 218.340 4.394 10 0 BIAERN Cc1cccc(C(=O)CCC2CCCC2)c1 ZINC000167776820 347047826 /nfs/dbraw/zinc/04/78/26/347047826.db2.gz BDYCTLYTFNPQGJ-UHFFFAOYSA-N 0 0 216.324 4.148 10 0 BIAERN CCCC[C@@H](CC)C(=O)c1cccc(F)c1 ZINC000167778002 347052182 /nfs/dbraw/zinc/05/21/82/347052182.db2.gz NMNKCCGVOCHLDW-LLVKDONJSA-N 0 0 222.303 4.225 10 0 BIAERN CCCC[C@H](CC)C(=O)c1cccc(F)c1 ZINC000167778127 347049805 /nfs/dbraw/zinc/04/98/05/347049805.db2.gz NMNKCCGVOCHLDW-NSHDSACASA-N 0 0 222.303 4.225 10 0 BIAERN CCCC(CCC)C(=O)c1cccc(F)c1 ZINC000167781241 347051954 /nfs/dbraw/zinc/05/19/54/347051954.db2.gz NOBSBYUKQAJEES-UHFFFAOYSA-N 0 0 222.303 4.225 10 0 BIAERN CCCC[C@@H](CC)C(=O)c1ccccc1C ZINC000167791530 347087503 /nfs/dbraw/zinc/08/75/03/347087503.db2.gz VTYNRCAJXWQTDJ-CYBMUJFWSA-N 0 0 218.340 4.394 10 0 BIAERN CCCC[C@H](CC)C(=O)c1ccccc1C ZINC000167791654 347087586 /nfs/dbraw/zinc/08/75/86/347087586.db2.gz VTYNRCAJXWQTDJ-ZDUSSCGKSA-N 0 0 218.340 4.394 10 0 BIAERN CCCC(CCC)C(=O)c1ccccc1C ZINC000167794598 347165624 /nfs/dbraw/zinc/16/56/24/347165624.db2.gz MWKFBYJRVXXSEW-UHFFFAOYSA-N 0 0 218.340 4.394 10 0 BIAERN Cc1ccccc1C(=O)CCC1CCCC1 ZINC000167795641 347166605 /nfs/dbraw/zinc/16/66/05/347166605.db2.gz HWYCHCZVTJGHOF-UHFFFAOYSA-N 0 0 216.324 4.148 10 0 BIAERN O=C(CCC1CCCC1)c1cccc(Cl)c1 ZINC000167852276 361868778 /nfs/dbraw/zinc/86/87/78/361868778.db2.gz DKUIZMFJOZZQJW-UHFFFAOYSA-N 0 0 236.742 4.493 10 0 BIAERN C=C(Br)c1ccc2ccccc2c1 ZINC000167879163 346720348 /nfs/dbraw/zinc/72/03/48/346720348.db2.gz CPICVRGUVRNMFR-UHFFFAOYSA-N 0 0 233.108 4.205 10 0 BIAERN CCCC[C@@H](CC)C(=O)c1ccccc1F ZINC000167933493 350811299 /nfs/dbraw/zinc/81/12/99/350811299.db2.gz BVKDBXFFQUDCKD-LLVKDONJSA-N 0 0 222.303 4.225 10 0 BIAERN CCCC[C@H](CC)C(=O)c1ccccc1F ZINC000167933598 350811222 /nfs/dbraw/zinc/81/12/22/350811222.db2.gz BVKDBXFFQUDCKD-NSHDSACASA-N 0 0 222.303 4.225 10 0 BIAERN CCCC(CCC)C(=O)c1ccccc1F ZINC000167936758 350812338 /nfs/dbraw/zinc/81/23/38/350812338.db2.gz QGWHLGQUKHUCAE-UHFFFAOYSA-N 0 0 222.303 4.225 10 0 BIAERN CCCCC(=O)c1cccc(C)c1Cl ZINC000167950010 349423152 /nfs/dbraw/zinc/42/31/52/349423152.db2.gz GZXFALQNHNLARF-UHFFFAOYSA-N 0 0 210.704 4.021 10 0 BIAERN CCc1cccc(C(=O)C2CCCCC2)c1 ZINC000167989985 351183805 /nfs/dbraw/zinc/18/38/05/351183805.db2.gz VIMCEWLUCWYUMN-UHFFFAOYSA-N 0 0 216.324 4.012 10 0 BIAERN CCc1cccc(C(=O)CCc2ccccc2)c1 ZINC000167991243 351181199 /nfs/dbraw/zinc/18/11/99/351181199.db2.gz JQGSNXWYKNXMSI-UHFFFAOYSA-N 0 0 238.330 4.065 10 0 BIAERN CC1(C(=O)CC2CCCCC2)CCCC1 ZINC000168004685 351250148 /nfs/dbraw/zinc/25/01/48/351250148.db2.gz FNUKKACBOZJYGA-UHFFFAOYSA-N 0 0 208.345 4.106 10 0 BIAERN C=CCc1c(C)c(Cl)cc(C(C)C)c1O ZINC000168055309 345808265 /nfs/dbraw/zinc/80/82/65/345808265.db2.gz ADYDYWICVSZLGF-UHFFFAOYSA-N 0 0 224.731 4.206 10 0 BIAERN CC(C)C[C@@H]([NH3+])c1cc2sccc2s1 ZINC000168185477 356538517 /nfs/dbraw/zinc/53/85/17/356538517.db2.gz KGNJRGUTHCHJBI-MRVPVSSYSA-N 0 0 225.382 4.009 10 0 BIAERN Cc1ccc(O)c(C(C)(C)C(C)(C)C)c1 ZINC000168220443 345810231 /nfs/dbraw/zinc/81/02/31/345810231.db2.gz YXCZQHLGFCCBBT-UHFFFAOYSA-N 0 0 206.329 4.024 10 0 BIAERN c1ccc2c(c1)c1ccccc1n2CC1CC1 ZINC000168293900 345812576 /nfs/dbraw/zinc/81/25/76/345812576.db2.gz KSCXEDBHOOMHAE-UHFFFAOYSA-N 0 0 221.303 4.205 10 0 BIAERN CCOC(=O)Nc1ccc2cc(Cl)ccc2c1 ZINC000168327412 345812151 /nfs/dbraw/zinc/81/21/51/345812151.db2.gz OPJNRRPLBCRHHT-UHFFFAOYSA-N 0 0 249.697 4.062 10 0 BIAERN O=C(CC1CCC1)c1cc(Cl)cc(Cl)c1 ZINC000168351358 351385577 /nfs/dbraw/zinc/38/55/77/351385577.db2.gz CLSNRTPGLSNVNN-UHFFFAOYSA-N 0 0 243.133 4.366 10 0 BIAERN CCC(CC)C(=O)c1cc(C)c(C)cc1C ZINC000168457299 355835302 /nfs/dbraw/zinc/83/53/02/355835302.db2.gz FRSUHCXLKPAESQ-UHFFFAOYSA-N 0 0 218.340 4.231 10 0 BIAERN CCC[C@@H](C)C(=O)c1cc(C)c(C)cc1C ZINC000168457405 355835361 /nfs/dbraw/zinc/83/53/61/355835361.db2.gz CJVGWQVUGVKITC-SNVBAGLBSA-N 0 0 218.340 4.231 10 0 BIAERN CCC[C@H](C)C(=O)c1cc(C)c(C)cc1C ZINC000168457500 345327080 /nfs/dbraw/zinc/32/70/80/345327080.db2.gz CJVGWQVUGVKITC-JTQLQIEISA-N 0 0 218.340 4.231 10 0 BIAERN CCC(C)(C)C(=O)c1cc(C)c(C)cc1C ZINC000168457995 355835416 /nfs/dbraw/zinc/83/54/16/355835416.db2.gz AYNBAPKBJWAUEN-UHFFFAOYSA-N 0 0 218.340 4.231 10 0 BIAERN CCC1(C(=O)c2csc(C)c2)CCCC1 ZINC000168469508 355840830 /nfs/dbraw/zinc/84/08/30/355840830.db2.gz KTSCURBLQWPBCQ-UHFFFAOYSA-N 0 0 222.353 4.210 10 0 BIAERN CCn1c2ccc(Cl)cc2c2c1cccc2O ZINC000168593205 345816521 /nfs/dbraw/zinc/81/65/21/345816521.db2.gz KJCXFUCKEWZAPH-UHFFFAOYSA-N 0 0 245.709 4.173 10 0 BIAERN O=Cc1ccc2c(c1)c1ccccc1n2CC1CC1 ZINC000168595910 345816356 /nfs/dbraw/zinc/81/63/56/345816356.db2.gz LOQZWLVRFARLES-UHFFFAOYSA-N 0 0 249.313 4.017 10 0 BIAERN Clc1cc(Cl)cc(-c2cscn2)c1 ZINC000168615656 387517166 /nfs/dbraw/zinc/51/71/66/387517166.db2.gz RYZDBBSEYLURSQ-UHFFFAOYSA-N 0 0 230.119 4.117 10 0 BIAERN O=C1C[C@H](c2ccc(Cl)cc2)c2ccccc21 ZINC000168640102 398343284 /nfs/dbraw/zinc/34/32/84/398343284.db2.gz AOQJXZCTYHTMKY-CQSZACIVSA-N 0 0 242.705 4.058 10 0 BIAERN CCC(CC)C(=O)c1cccc(OC(C)C)c1 ZINC000168665927 356991896 /nfs/dbraw/zinc/99/18/96/356991896.db2.gz WRNYOFGQKHFYPV-UHFFFAOYSA-N 0 0 234.339 4.093 10 0 BIAERN CCCCCCc1cc2c(cc1O)C(=O)CCC2 ZINC000169023023 345833428 /nfs/dbraw/zinc/83/34/28/345833428.db2.gz WPQLKTNBKKLQSS-UHFFFAOYSA-N 0 0 246.350 4.034 10 0 BIAERN Cc1cc(F)cc(C(=O)CCC2CCCC2)c1 ZINC000169074147 346752415 /nfs/dbraw/zinc/75/24/15/346752415.db2.gz CMCHSNULJXDZIX-UHFFFAOYSA-N 0 0 234.314 4.287 10 0 BIAERN CC[C@@H](C)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000169157125 359434401 /nfs/dbraw/zinc/43/44/01/359434401.db2.gz SEYRGDLWUIBZSW-SSDOTTSWSA-N 0 0 248.219 4.073 10 0 BIAERN CC[C@H](C)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000169157206 359434824 /nfs/dbraw/zinc/43/48/24/359434824.db2.gz SEYRGDLWUIBZSW-ZETCQYMHSA-N 0 0 248.219 4.073 10 0 BIAERN CCO[P@@](C)(=O)Cc1cccc2ccccc21 ZINC000169219530 345840302 /nfs/dbraw/zinc/84/03/02/345840302.db2.gz IGAVLLXEGDDKQG-QGZVFWFLSA-N 0 0 248.262 4.284 10 0 BIAERN CCO[P@](C)(=O)Cc1cccc2ccccc21 ZINC000169219612 345840059 /nfs/dbraw/zinc/84/00/59/345840059.db2.gz IGAVLLXEGDDKQG-KRWDZBQOSA-N 0 0 248.262 4.284 10 0 BIAERN O=Cc1ccccc1Cc1cccc2ccccc21 ZINC000169231893 345840206 /nfs/dbraw/zinc/84/02/06/345840206.db2.gz PREZYMDBTUIKDP-UHFFFAOYSA-N 0 0 246.309 4.243 10 0 BIAERN CC(C)(C)C(=O)c1cccc(C(C)(C)C)c1 ZINC000169268778 360016347 /nfs/dbraw/zinc/01/63/47/360016347.db2.gz ZCLUZOFJDNRKHB-UHFFFAOYSA-N 0 0 218.340 4.213 10 0 BIAERN CCC(CC)C(=O)c1ccccc1OC(C)C ZINC000169282714 360069722 /nfs/dbraw/zinc/06/97/22/360069722.db2.gz ANKIKFPRODNERG-UHFFFAOYSA-N 0 0 234.339 4.093 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccccc1OC(C)C ZINC000169284402 360070076 /nfs/dbraw/zinc/07/00/76/360070076.db2.gz FMNOWGCYSLVTOL-GFCCVEGCSA-N 0 0 234.339 4.093 10 0 BIAERN CCC[C@H](C)C(=O)c1ccccc1OC(C)C ZINC000169284469 360069776 /nfs/dbraw/zinc/06/97/76/360069776.db2.gz FMNOWGCYSLVTOL-LBPRGKRZSA-N 0 0 234.339 4.093 10 0 BIAERN Cc1ncc2c(n1)CCCCCCCCCC2 ZINC000169318549 180177080 /nfs/dbraw/zinc/17/70/80/180177080.db2.gz FNFUVKSDLVSUEH-UHFFFAOYSA-N 0 0 232.371 4.004 10 0 BIAERN CC(=O)C[C@@H](C)c1ccc2cc(C)ccc2c1 ZINC000169333151 187475252 /nfs/dbraw/zinc/47/52/52/187475252.db2.gz BEPLFCMQABWDKA-GFCCVEGCSA-N 0 0 226.319 4.231 10 0 BIAERN CC(=O)C[C@H](C)c1ccc2cc(C)ccc2c1 ZINC000169333152 384673427 /nfs/dbraw/zinc/67/34/27/384673427.db2.gz BEPLFCMQABWDKA-LBPRGKRZSA-N 0 0 226.319 4.231 10 0 BIAERN CC(=O)CCc1ccc2cc(Cl)ccc2c1 ZINC000169333156 384673902 /nfs/dbraw/zinc/67/39/02/384673902.db2.gz QDTLVDMJFRFDPV-UHFFFAOYSA-N 0 0 232.710 4.015 10 0 BIAERN c1cc2c(s1)Sc1sccc1S2 ZINC000169413550 346759759 /nfs/dbraw/zinc/75/97/59/346759759.db2.gz IOWOSLWSCVEIME-UHFFFAOYSA-N 0 0 228.388 4.425 10 0 BIAERN CC(=O)c1cc2c(cc1C)C(C)(C)[C@@H](C)[C@@H]2C ZINC000169458564 345847164 /nfs/dbraw/zinc/84/71/64/345847164.db2.gz YSPRCRIUJGNAQU-QWRGUYRKSA-N 0 0 230.351 4.228 10 0 BIAERN CC(=O)c1cc2c(cc1C)C(C)(C)[C@H](C)[C@@H]2C ZINC000169458572 345847473 /nfs/dbraw/zinc/84/74/73/345847473.db2.gz YSPRCRIUJGNAQU-WDEREUQCSA-N 0 0 230.351 4.228 10 0 BIAERN CC(=O)c1cc2c(cc1C)C(C)(C)[C@@H](C)[C@H]2C ZINC000169458583 346761375 /nfs/dbraw/zinc/76/13/75/346761375.db2.gz YSPRCRIUJGNAQU-MNOVXSKESA-N 0 0 230.351 4.228 10 0 BIAERN CC(=O)c1cc2c(cc1C)C(C)(C)[C@H](C)[C@H]2C ZINC000169458592 346761177 /nfs/dbraw/zinc/76/11/77/346761177.db2.gz YSPRCRIUJGNAQU-GHMZBOCLSA-N 0 0 230.351 4.228 10 0 BIAERN CC(C)(C)Cn1cpc2ccccc21 ZINC000169671791 346768300 /nfs/dbraw/zinc/76/83/00/346768300.db2.gz QXRUTBIVHYAPFJ-UHFFFAOYSA-N 0 0 205.241 4.268 10 0 BIAERN C/C(=C\C[Si](C)(C)C)c1ccccc1 ZINC000169894429 487655901 /nfs/dbraw/zinc/65/59/01/487655901.db2.gz JYAACCIGESKZNR-ZRDIBKRKSA-N 0 0 204.389 4.428 10 0 BIAERN CC(C)n1ccnc1CSC1CCCCC1 ZINC000171677326 365225945 /nfs/dbraw/zinc/22/59/45/365225945.db2.gz WCKRGOBMMRSUBX-UHFFFAOYSA-N 0 0 238.400 4.030 10 0 BIAERN Cc1ccc(SCc2nccn2C(C)C)cc1 ZINC000171677332 365226128 /nfs/dbraw/zinc/22/61/28/365226128.db2.gz ILFTVUQBJXKOBZ-UHFFFAOYSA-N 0 0 246.379 4.065 10 0 BIAERN Cc1cccc(SCc2nccn2C(C)C)c1 ZINC000171678276 365223589 /nfs/dbraw/zinc/22/35/89/365223589.db2.gz HJYXYKXPARQIPA-UHFFFAOYSA-N 0 0 246.379 4.065 10 0 BIAERN Cc1ccccc1N[C@@H](C)c1cccnc1Cl ZINC000182533171 643028566 /nfs/dbraw/zinc/02/85/66/643028566.db2.gz OYLAJJLBGWGQHJ-NSHDSACASA-N 0 0 246.741 4.217 10 0 BIAERN Cc1ccccc1N[C@H](C)c1cccnc1Cl ZINC000182533184 643028384 /nfs/dbraw/zinc/02/83/84/643028384.db2.gz OYLAJJLBGWGQHJ-LLVKDONJSA-N 0 0 246.741 4.217 10 0 BIAERN Cc1ccccc1N[C@@H](C)c1ccc(Cl)nc1 ZINC000182533549 633949440 /nfs/dbraw/zinc/94/94/40/633949440.db2.gz IAMTVDAFSGTVIB-NSHDSACASA-N 0 0 246.741 4.217 10 0 BIAERN Cc1ccccc1N[C@H](C)c1ccc(Cl)nc1 ZINC000182533566 633949630 /nfs/dbraw/zinc/94/96/30/633949630.db2.gz IAMTVDAFSGTVIB-LLVKDONJSA-N 0 0 246.741 4.217 10 0 BIAERN COc1ccsc1[C@H](C)Nc1ccccc1C ZINC000186240400 388599354 /nfs/dbraw/zinc/59/93/54/388599354.db2.gz YKSVKLHNAIAFEF-NSHDSACASA-N 0 0 247.363 4.238 10 0 BIAERN COc1ccsc1[C@@H](C)Nc1ccccc1C ZINC000186240418 388598835 /nfs/dbraw/zinc/59/88/35/388598835.db2.gz YKSVKLHNAIAFEF-LLVKDONJSA-N 0 0 247.363 4.238 10 0 BIAERN CC(C)n1ccnc1CSCCC(C)(C)C ZINC000187507014 205805385 /nfs/dbraw/zinc/80/53/85/205805385.db2.gz CXRAYTUTLUJFSV-UHFFFAOYSA-N 0 0 240.416 4.133 10 0 BIAERN CC[Si](CC)(CC)[C@@H](C)c1ccccn1 ZINC000195780223 171730488 /nfs/dbraw/zinc/73/04/88/171730488.db2.gz NVJZHJNDFDTSFS-LBPRGKRZSA-N 0 0 221.420 4.233 10 0 BIAERN CC[Si](CC)(CC)[C@H](C)c1ccccn1 ZINC000195780224 487769490 /nfs/dbraw/zinc/76/94/90/487769490.db2.gz NVJZHJNDFDTSFS-GFCCVEGCSA-N 0 0 221.420 4.233 10 0 BIAERN C[C@@H](/C=C/[Si](C)(C)C)[Si](C)(C)C ZINC000195805336 347681543 /nfs/dbraw/zinc/68/15/43/347681543.db2.gz DOZSTCVRFHAMGM-DDXVTDLHSA-N 0 0 200.474 4.148 10 0 BIAERN C[C@H](/C=C/[Si](C)(C)C)[Si](C)(C)C ZINC000195805340 347681534 /nfs/dbraw/zinc/68/15/34/347681534.db2.gz DOZSTCVRFHAMGM-AAXQSMANSA-N 0 0 200.474 4.148 10 0 BIAERN C[Si](C)(C)C(F)(F)C(F)(F)[Si](C)(C)C ZINC000195912167 343627013 /nfs/dbraw/zinc/62/70/13/343627013.db2.gz UQEADPSQKLPUDX-UHFFFAOYSA-N 0 0 246.396 4.012 10 0 BIAERN c1ccc(-c2ccc3[nH]c4ncccc4c3c2)cc1 ZINC000196086081 347791455 /nfs/dbraw/zinc/79/14/55/347791455.db2.gz LYSRNLWQFJTEJO-UHFFFAOYSA-N 0 0 244.297 4.383 10 0 BIAERN Clc1ccc2c(c1)CC=C2c1ccccc1 ZINC000196089831 358942427 /nfs/dbraw/zinc/94/24/27/358942427.db2.gz NAJAIAYBHZAKNQ-UHFFFAOYSA-N 0 0 226.706 4.328 10 0 BIAERN Nc1cc(Cl)cc(Cl)c1-c1ccccc1 ZINC000196148155 358943488 /nfs/dbraw/zinc/94/34/88/358943488.db2.gz XWSZQKGSZNMENX-UHFFFAOYSA-N 0 0 238.117 4.243 10 0 BIAERN FC(F)=C(F)c1ccc(C(F)(F)F)cc1 ZINC000196149919 347810698 /nfs/dbraw/zinc/81/06/98/347810698.db2.gz TZMAARNATXUVBE-UHFFFAOYSA-N 0 0 226.119 4.240 10 0 BIAERN Oc1ccc(F)cc1CCC1CCCCC1 ZINC000196170810 347817137 /nfs/dbraw/zinc/81/71/37/347817137.db2.gz QQRASYQVKFQZIN-UHFFFAOYSA-N 0 0 222.303 4.044 10 0 BIAERN CC(=O)c1ccc(O)c(CCC2CCCCC2)c1 ZINC000196170835 347817239 /nfs/dbraw/zinc/81/72/39/347817239.db2.gz WEFSFKBOLQQIJE-UHFFFAOYSA-N 0 0 246.350 4.108 10 0 BIAERN COc1ccc(N=O)c(Nc2ccccc2C)c1 ZINC000196199387 323084987 /nfs/dbraw/zinc/08/49/87/323084987.db2.gz BWSZNTVOXMMHOD-UHFFFAOYSA-N 0 0 242.278 4.145 10 0 BIAERN C[Si]1(C)CCC[Si](C)(C)CCC1 ZINC000196200705 347831962 /nfs/dbraw/zinc/83/19/62/347831962.db2.gz DVWBNOACKNOYSV-UHFFFAOYSA-N 0 0 200.474 4.197 10 0 BIAERN Clc1ccc(-c2onc3ccccc32)cc1 ZINC000196233543 347410499 /nfs/dbraw/zinc/41/04/99/347410499.db2.gz PATMGAVPZPKDAK-UHFFFAOYSA-N 0 0 229.666 4.148 10 0 BIAERN Clc1ccc2nc(-c3ccco3)sc2c1 ZINC000196233548 180588727 /nfs/dbraw/zinc/58/87/27/180588727.db2.gz IOULGGRTUIAEGP-UHFFFAOYSA-N 0 0 235.695 4.210 10 0 BIAERN Cc1ccc(C)c2c1CC=C2c1ccccc1 ZINC000196243040 343629888 /nfs/dbraw/zinc/62/98/88/343629888.db2.gz LLDMFMXMAULWNW-UHFFFAOYSA-N 0 0 220.315 4.291 10 0 BIAERN COCOc1ccccc1C=C1CCCCC1 ZINC000196258327 347852340 /nfs/dbraw/zinc/85/23/40/347852340.db2.gz KOBVWAVTCSSZLX-UHFFFAOYSA-N 0 0 232.323 4.017 10 0 BIAERN CCCCc1c2ccccc2[nH]c1CC ZINC000196287284 187911027 /nfs/dbraw/zinc/91/10/27/187911027.db2.gz KXPZPIYXFZFMGT-UHFFFAOYSA-N 0 0 201.313 4.073 10 0 BIAERN CSC(=S)c1ccccc1-c1ccccc1 ZINC000196331239 347868705 /nfs/dbraw/zinc/86/87/05/347868705.db2.gz CEYAGHIGLHLNGZ-UHFFFAOYSA-N 0 0 244.384 4.392 10 0 BIAERN O=C1CCCC[C@H]1Cc1ccc2ccccc2c1 ZINC000196338370 347868736 /nfs/dbraw/zinc/86/87/36/347868736.db2.gz MXAXTPGPMJAEJP-INIZCTEOSA-N 0 0 238.330 4.142 10 0 BIAERN O=C1CCCC[C@@H]1Cc1ccc2ccccc2c1 ZINC000196338378 347868554 /nfs/dbraw/zinc/86/85/54/347868554.db2.gz MXAXTPGPMJAEJP-MRXNPFEDSA-N 0 0 238.330 4.142 10 0 BIAERN CC1(C)CCCc2c3cc(O)ccc3ccc21 ZINC000196413928 347879603 /nfs/dbraw/zinc/87/96/03/347879603.db2.gz NZPHFMVNAUUXKA-UHFFFAOYSA-N 0 0 226.319 4.159 10 0 BIAERN Cc1ccc(CCCc2ccccc2)s1 ZINC000196430758 347882644 /nfs/dbraw/zinc/88/26/44/347882644.db2.gz RBXBAPAANJOFMN-UHFFFAOYSA-N 0 0 216.349 4.232 10 0 BIAERN Cc1cc(CCCc2ccccc2)cs1 ZINC000196430910 347882442 /nfs/dbraw/zinc/88/24/42/347882442.db2.gz ZEJZDWRDWGFWST-UHFFFAOYSA-N 0 0 216.349 4.232 10 0 BIAERN O=C(CCCCc1ccccc1)c1ccsc1 ZINC000196431037 343631421 /nfs/dbraw/zinc/63/14/21/343631421.db2.gz BKGSTZXARCCFFQ-UHFFFAOYSA-N 0 0 244.359 4.344 10 0 BIAERN C[C@@H](c1ccccn1)[Si](C)(C)C(C)(C)C ZINC000196439601 176027301 /nfs/dbraw/zinc/02/73/01/176027301.db2.gz OIDZXNLDQDVFGB-NSHDSACASA-N 0 0 221.420 4.233 10 0 BIAERN C[C@H](c1ccccn1)[Si](C)(C)C(C)(C)C ZINC000196439612 177043888 /nfs/dbraw/zinc/04/38/88/177043888.db2.gz OIDZXNLDQDVFGB-LLVKDONJSA-N 0 0 221.420 4.233 10 0 BIAERN C=C(c1ccncc1)[Si](CC)(CC)CC ZINC000196485588 385508724 /nfs/dbraw/zinc/50/87/24/385508724.db2.gz CRSSZVIASZBBOM-UHFFFAOYSA-N 0 0 219.404 4.143 10 0 BIAERN CC(C)(C)OC(=O)Nc1csc2ccccc12 ZINC000196503605 166670636 /nfs/dbraw/zinc/67/06/36/166670636.db2.gz FIERANRXVQECJU-UHFFFAOYSA-N 0 0 249.335 4.248 10 0 BIAERN CC1=C(C)[C@@]2(c3ccccc3)CC=CC[C@H]12 ZINC000196583439 168087142 /nfs/dbraw/zinc/08/71/42/168087142.db2.gz UFFUMVPZGAYMOF-HZPDHXFCSA-N 0 0 210.320 4.241 10 0 BIAERN CC1=C(C)[C@]2(c3ccccc3)CC=CC[C@H]12 ZINC000196583448 168086579 /nfs/dbraw/zinc/08/65/79/168086579.db2.gz UFFUMVPZGAYMOF-CVEARBPZSA-N 0 0 210.320 4.241 10 0 BIAERN CC1=C(C)[C@]2(c3ccccc3)CC=CC[C@@H]12 ZINC000196583469 168086891 /nfs/dbraw/zinc/08/68/91/168086891.db2.gz UFFUMVPZGAYMOF-HOTGVXAUSA-N 0 0 210.320 4.241 10 0 BIAERN O=Cc1ccccc1C=C1CCCCCC1 ZINC000196588403 585037147 /nfs/dbraw/zinc/03/71/47/585037147.db2.gz XKMBGKBPEIQCAZ-UHFFFAOYSA-N 0 0 214.308 4.237 10 0 BIAERN CCOC(=O)C[C@@H]1CCC2(C1)CCCCCC2 ZINC000196617691 347953162 /nfs/dbraw/zinc/95/31/62/347953162.db2.gz JIUANCYXELZMEJ-ZDUSSCGKSA-N 0 0 238.371 4.080 10 0 BIAERN CCOC(=O)C[C@H]1CCC2(C1)CCCCCC2 ZINC000196617703 347952656 /nfs/dbraw/zinc/95/26/56/347952656.db2.gz JIUANCYXELZMEJ-CYBMUJFWSA-N 0 0 238.371 4.080 10 0 BIAERN Clc1nc(-c2ccccc2)sc1Cl ZINC000196635995 398281058 /nfs/dbraw/zinc/28/10/58/398281058.db2.gz YQVYWWGKQGPIKG-UHFFFAOYSA-N 0 0 230.119 4.117 10 0 BIAERN CNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000196649963 384815132 /nfs/dbraw/zinc/81/51/32/384815132.db2.gz HNGLKIDHTGVKJX-UHFFFAOYSA-N 0 0 241.378 4.196 10 0 BIAERN c1c2ccccc2sc1C1=CCCC1 ZINC000196692809 347991183 /nfs/dbraw/zinc/99/11/83/347991183.db2.gz BVYHEOJQFSMYOO-UHFFFAOYSA-N 0 0 200.306 4.469 10 0 BIAERN OC1(c2cc3ccccc3s2)CCCCCC1 ZINC000196692843 347991347 /nfs/dbraw/zinc/99/13/47/347991347.db2.gz UNECERQZHCANLJ-UHFFFAOYSA-N 0 0 246.375 4.443 10 0 BIAERN Cc1ccc(-c2csc(Cl)c2)cc1 ZINC000196705805 347995662 /nfs/dbraw/zinc/99/56/62/347995662.db2.gz NENSTSUGBUBHAP-UHFFFAOYSA-N 0 0 208.713 4.377 10 0 BIAERN C[C@H]1C[C@H](C(C)(C)C)c2ccccc2N1 ZINC000196722888 177354801 /nfs/dbraw/zinc/35/48/01/177354801.db2.gz VJRRHQPTVXXGST-JQWIXIFHSA-N 0 0 203.329 4.020 10 0 BIAERN C[C@@H]1C[C@@H](C(C)(C)C)c2ccccc2N1 ZINC000196722896 176360265 /nfs/dbraw/zinc/36/02/65/176360265.db2.gz VJRRHQPTVXXGST-ZYHUDNBSSA-N 0 0 203.329 4.020 10 0 BIAERN C[C@H]1C[C@@H](C(C)(C)C)c2ccccc2N1 ZINC000196722904 177309442 /nfs/dbraw/zinc/30/94/42/177309442.db2.gz VJRRHQPTVXXGST-CMPLNLGQSA-N 0 0 203.329 4.020 10 0 BIAERN FC(F)=C(c1ccccc1)C(F)(F)Cl ZINC000196741275 343633670 /nfs/dbraw/zinc/63/36/70/343633670.db2.gz OGEZGWMQOATGPW-UHFFFAOYSA-N 0 0 224.584 4.126 10 0 BIAERN Clc1ccc(-c2nc3cccnc3s2)cc1 ZINC000196779014 348022874 /nfs/dbraw/zinc/02/28/74/348022874.db2.gz XGQCPIMVGMWKHD-UHFFFAOYSA-N 0 0 246.722 4.012 10 0 BIAERN COc1cc2ccccc2cc1Cc1ccccc1 ZINC000196811627 348032675 /nfs/dbraw/zinc/03/26/75/348032675.db2.gz FTTVGBAKESAAAO-UHFFFAOYSA-N 0 0 248.325 4.439 10 0 BIAERN CCOC(=N)Cc1ccc2ccccc2c1Cl ZINC000196864368 348039830 /nfs/dbraw/zinc/03/98/30/348039830.db2.gz NBZOHBGWKFGWEW-UHFFFAOYSA-N 0 0 247.725 4.049 10 0 BIAERN c1cc2ccc(OCCC3CCCC3)cc2[nH]1 ZINC000196868696 348039623 /nfs/dbraw/zinc/03/96/23/348039623.db2.gz NVHJBKFHQWVXTA-UHFFFAOYSA-N 0 0 229.323 4.127 10 0 BIAERN Cc1cccc2cc(-c3ccccc3)cnc12 ZINC000196878725 348047264 /nfs/dbraw/zinc/04/72/64/348047264.db2.gz BXIQFMLGTAAIFR-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN Cc1cccc2c(-c3ccccc3)ccnc12 ZINC000196878760 348047465 /nfs/dbraw/zinc/04/74/65/348047465.db2.gz QHSRMHDUUAOAGM-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN Cc1cc(-c2ccccc2)cc2cccnc12 ZINC000196878800 348047405 /nfs/dbraw/zinc/04/74/05/348047405.db2.gz LISVAZNETWRSPO-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN Cc1ccc(-c2ccccc2)c2cccnc12 ZINC000196878835 348047302 /nfs/dbraw/zinc/04/73/02/348047302.db2.gz UGUKGCLMKLTYOX-UHFFFAOYSA-N 0 0 219.287 4.210 10 0 BIAERN C[Si](C)(C)CCSC1CCCCC1 ZINC000196880227 343636662 /nfs/dbraw/zinc/63/66/62/343636662.db2.gz FCUCEARWIRUCRX-UHFFFAOYSA-N 0 0 216.466 4.391 10 0 BIAERN Cc1ccc(-c2nc3ccccc3nc2C)c(C)c1 ZINC000196915937 178337090 /nfs/dbraw/zinc/33/70/90/178337090.db2.gz DYYRZKMWDRIXKZ-UHFFFAOYSA-N 0 0 248.329 4.222 10 0 BIAERN COc1ccc(-c2c(C)[nH]c3ccccc32)cc1 ZINC000196953689 175029869 /nfs/dbraw/zinc/02/98/69/175029869.db2.gz NPVIPVGETCESHJ-UHFFFAOYSA-N 0 0 237.302 4.152 10 0 BIAERN O=C1C[C@@H](c2cccc(Cl)c2)c2ccccc21 ZINC000197021536 348084030 /nfs/dbraw/zinc/08/40/30/348084030.db2.gz RXWYQIBNVHCNDV-AWEZNQCLSA-N 0 0 242.705 4.058 10 0 BIAERN O=C1C[C@H](c2cccc(Cl)c2)c2ccccc21 ZINC000197021547 348083992 /nfs/dbraw/zinc/08/39/92/348083992.db2.gz RXWYQIBNVHCNDV-CQSZACIVSA-N 0 0 242.705 4.058 10 0 BIAERN FC(F)(F)C(F)(F)c1cccc2ccccc21 ZINC000197046723 348085720 /nfs/dbraw/zinc/08/57/20/348085720.db2.gz DXXOLVRYTMVSFQ-UHFFFAOYSA-N 0 0 246.178 4.494 10 0 BIAERN C=C=CP(=O)(OCCCC)OCCCC ZINC000197048975 348085346 /nfs/dbraw/zinc/08/53/46/348085346.db2.gz FBYXOPUUEOPUQY-UHFFFAOYSA-N 0 0 232.260 4.112 10 0 BIAERN Br/C1=C/CCCCCCC1 ZINC000197051170 385610884 /nfs/dbraw/zinc/61/08/84/385610884.db2.gz OURLYMVMTUIVSP-VQHVLOKHSA-N 0 0 203.123 4.010 10 0 BIAERN COc1cccc2c1Oc1cccc(Cl)c1C2 ZINC000197053041 385609896 /nfs/dbraw/zinc/60/98/96/385609896.db2.gz ZKHTYBRWXHOPTB-UHFFFAOYSA-N 0 0 246.693 4.045 10 0 BIAERN C[Si](C)(C)C(=C(F)F)c1ccccc1 ZINC000197122715 348112351 /nfs/dbraw/zinc/11/23/51/348112351.db2.gz PVKWVRDXNXFAKD-UHFFFAOYSA-N 0 0 212.315 4.172 10 0 BIAERN C[Si](C)(C)[C@@H]1CCCC=C1Br ZINC000197164263 343643513 /nfs/dbraw/zinc/64/35/13/343643513.db2.gz DTSLAGBKEOVVED-SECBINFHSA-N 0 0 233.225 4.158 10 0 BIAERN C[Si](C)(C)[C@H]1CCCC=C1Br ZINC000197164277 348114953 /nfs/dbraw/zinc/11/49/53/348114953.db2.gz DTSLAGBKEOVVED-VIFPVBQESA-N 0 0 233.225 4.158 10 0 BIAERN CC(=O)c1ccc([C@H](C)Oc2ccccc2)cc1 ZINC000197236692 490171525 /nfs/dbraw/zinc/17/15/25/490171525.db2.gz DKGAJDUKBDGXTL-ZDUSSCGKSA-N 0 0 240.302 4.029 10 0 BIAERN CC(=O)c1ccc([C@@H](C)Oc2ccccc2)cc1 ZINC000197236704 490151396 /nfs/dbraw/zinc/15/13/96/490151396.db2.gz DKGAJDUKBDGXTL-CYBMUJFWSA-N 0 0 240.302 4.029 10 0 BIAERN Fc1ccc(-c2nccc3ccccc32)cc1 ZINC000197375527 385530519 /nfs/dbraw/zinc/53/05/19/385530519.db2.gz JGQQLQAYZXPOJS-UHFFFAOYSA-N 0 0 223.250 4.041 10 0 BIAERN CCOc1ccc(Cc2ccccc2Cl)cc1 ZINC000197699907 368309862 /nfs/dbraw/zinc/30/98/62/368309862.db2.gz KETHSKCEXFAVNR-UHFFFAOYSA-N 0 0 246.737 4.330 10 0 BIAERN C=C(c1cccnc1)[Si](CC)(CC)CC ZINC000197991328 187490915 /nfs/dbraw/zinc/49/09/15/187490915.db2.gz LEJJKUZVQGEXKN-UHFFFAOYSA-N 0 0 219.404 4.143 10 0 BIAERN C/C(=C\C[C@]1(C)CCCCC1=O)[Si](C)(C)C ZINC000198234979 188007606 /nfs/dbraw/zinc/00/76/06/188007606.db2.gz DCCHCHZKUANEGS-TZIYXEQSSA-N 0 0 238.447 4.350 10 0 BIAERN C/C(=C\C[C@@]1(C)CCCCC1=O)[Si](C)(C)C ZINC000198234992 398052612 /nfs/dbraw/zinc/05/26/12/398052612.db2.gz DCCHCHZKUANEGS-BRADTZPFSA-N 0 0 238.447 4.350 10 0 BIAERN CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000198418760 491096606 /nfs/dbraw/zinc/09/66/06/491096606.db2.gz FGHREPYEIHRUKM-ZOBORPQBSA-N 0 0 240.387 4.037 10 0 BIAERN CCN(Cc1ccccc1)c1ccc(N=O)cc1 ZINC000198625406 347655295 /nfs/dbraw/zinc/65/52/95/347655295.db2.gz CMGGWRMSLJLLCZ-UHFFFAOYSA-N 0 0 240.306 4.111 10 0 BIAERN C[C@@]1([Si](C)(C)c2ccccc2)C=CCCC1 ZINC000198904262 349023220 /nfs/dbraw/zinc/02/32/20/349023220.db2.gz ANKQZFPGUFASCG-OAHLLOKOSA-N 0 0 230.427 4.102 10 0 BIAERN C[C@]1([Si](C)(C)c2ccccc2)C=CCCC1 ZINC000198904273 349023245 /nfs/dbraw/zinc/02/32/45/349023245.db2.gz ANKQZFPGUFASCG-HNNXBMFYSA-N 0 0 230.427 4.102 10 0 BIAERN CC(C)C[C@@H](C)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C ZINC000198954419 343678969 /nfs/dbraw/zinc/67/89/69/343678969.db2.gz NTSBKVJMFYUVPS-RBGFHDKUSA-N 0 0 238.415 4.246 10 0 BIAERN FCc1c(F)c(Cl)c(Cl)c(Cl)c1F ZINC000199513012 368354198 /nfs/dbraw/zinc/35/41/98/368354198.db2.gz JFYJOOINZYINSW-UHFFFAOYSA-N 0 0 249.446 4.395 10 0 BIAERN Fc1cccc(-c2nc3ccc(Cl)cc3o2)c1 ZINC000199906648 344255538 /nfs/dbraw/zinc/25/55/38/344255538.db2.gz LWDGTRUZEMSZHM-UHFFFAOYSA-N 0 0 247.656 4.287 10 0 BIAERN Fc1ccc(-c2nc3ccc(Cl)cc3o2)cc1 ZINC000199906785 344255473 /nfs/dbraw/zinc/25/54/73/344255473.db2.gz CKIDLCHVDOYPDW-UHFFFAOYSA-N 0 0 247.656 4.287 10 0 BIAERN C/C(=C/C[Si](C)(C)C)c1ccccc1 ZINC000199931626 347436650 /nfs/dbraw/zinc/43/66/50/347436650.db2.gz JYAACCIGESKZNR-BENRWUELSA-N 0 0 204.389 4.428 10 0 BIAERN Clc1ccc2c(c1)ncc1ccccc12 ZINC000200133236 347797599 /nfs/dbraw/zinc/79/75/99/347797599.db2.gz BMSQOMUFUFJDQM-UHFFFAOYSA-N 0 0 213.667 4.041 10 0 BIAERN Clc1ccc2c(c1)Cc1ccccc1O2 ZINC000200258831 343276341 /nfs/dbraw/zinc/27/63/41/343276341.db2.gz AHNHRTKWCOJHCS-UHFFFAOYSA-N 0 0 216.667 4.037 10 0 BIAERN Cc1cc(C(C)(C)C)cc(C2(O)CCCCC2)c1 ZINC000201002450 343320610 /nfs/dbraw/zinc/32/06/10/343320610.db2.gz HBDFBINSOBKAIL-UHFFFAOYSA-N 0 0 246.394 4.444 10 0 BIAERN CSc1ccc2c(c1)Cc1ccccc1S2 ZINC000201338820 343377712 /nfs/dbraw/zinc/37/77/12/343377712.db2.gz GWAJYKCLVRSERS-UHFFFAOYSA-N 0 0 244.384 4.464 10 0 BIAERN CC(C)[Si](c1nccs1)(C(C)C)C(C)C ZINC000201366260 343379011 /nfs/dbraw/zinc/37/90/11/343379011.db2.gz IIPLDKZLZMGMFF-UHFFFAOYSA-N 0 0 241.476 4.029 10 0 BIAERN C=C(OCCCC)c1cccc2c1C=CCC2 ZINC000201568638 343387823 /nfs/dbraw/zinc/38/78/23/343387823.db2.gz PVBAIVNFSFFYPF-UHFFFAOYSA-N 0 0 228.335 4.433 10 0 BIAERN C=C(OCCCC)c1cccc2c1CCC=C2 ZINC000201568681 368932696 /nfs/dbraw/zinc/93/26/96/368932696.db2.gz XLMQVCJGTOTXRL-UHFFFAOYSA-N 0 0 228.335 4.433 10 0 BIAERN C=Cc1ccc(C(F)(F)F)c(Cl)c1 ZINC000201680881 343389968 /nfs/dbraw/zinc/38/99/68/343389968.db2.gz QGORPQARVVJECO-UHFFFAOYSA-N 0 0 206.594 4.002 10 0 BIAERN CCc1cc(CC(C)(C)C)cc2c1CCCC2=O ZINC000201700648 343390551 /nfs/dbraw/zinc/39/05/51/343390551.db2.gz UJKXPHCVOSYCAL-UHFFFAOYSA-N 0 0 244.378 4.357 10 0 BIAERN Cc1cc(-c2ccsc2)ccc1Cl ZINC000202904465 343479588 /nfs/dbraw/zinc/47/95/88/343479588.db2.gz ZCCUYLFBDGAGDC-UHFFFAOYSA-N 0 0 208.713 4.377 10 0 BIAERN FC(F)(F)/C=C/c1cc2ccccc2o1 ZINC000203718102 491113735 /nfs/dbraw/zinc/11/37/35/491113735.db2.gz VPLMECOBXQZXLS-AATRIKPKSA-N 0 0 212.170 4.008 10 0 BIAERN CCC(=O)c1ccc(Cc2ccc(F)cc2)cc1 ZINC000203769344 343545118 /nfs/dbraw/zinc/54/51/18/343545118.db2.gz BWTFYNIAVCLSLN-UHFFFAOYSA-N 0 0 242.293 4.009 10 0 BIAERN CC(C)=C(C)Cc1ccc(Br)cc1 ZINC000203831355 368631578 /nfs/dbraw/zinc/63/15/78/368631578.db2.gz PEBMCGGGYJRDNY-UHFFFAOYSA-N 0 0 239.156 4.348 10 0 BIAERN O=[N+]([O-])c1c(Cl)cc(Cl)c2ccccc21 ZINC000204022410 343556743 /nfs/dbraw/zinc/55/67/43/343556743.db2.gz IMLVZJAUKXUOCT-UHFFFAOYSA-N 0 0 242.061 4.055 10 0 BIAERN CC1=CCCC[C@@]1(C)[Si](C)(C)c1ccccc1 ZINC000204054252 343556953 /nfs/dbraw/zinc/55/69/53/343556953.db2.gz ZYNCRIJGELAVOZ-MRXNPFEDSA-N 0 0 244.454 4.493 10 0 BIAERN CC1=CCCC[C@]1(C)[Si](C)(C)c1ccccc1 ZINC000204054264 343557149 /nfs/dbraw/zinc/55/71/49/343557149.db2.gz ZYNCRIJGELAVOZ-INIZCTEOSA-N 0 0 244.454 4.493 10 0 BIAERN c1ccc(N2c3ccccc3[C@@H]3CCC[C@@H]32)cc1 ZINC000204108840 183416425 /nfs/dbraw/zinc/41/64/25/183416425.db2.gz BJGYUEDOGOJNAA-RDJZCZTQSA-N 0 0 235.330 4.474 10 0 BIAERN c1ccc(Nc2cccc(-c3ccccn3)c2)cc1 ZINC000204271082 363892681 /nfs/dbraw/zinc/89/26/81/363892681.db2.gz MYKKMUVIHDLPCQ-UHFFFAOYSA-N 0 0 246.313 4.492 10 0 BIAERN COc1cc2c(C)cccc2cc1C(C)C ZINC000204658016 343581860 /nfs/dbraw/zinc/58/18/60/343581860.db2.gz ZLHBGNYAZPVDAO-UHFFFAOYSA-N 0 0 214.308 4.280 10 0 BIAERN Fc1ccc2[nH]c3c(c2c1)-c1ccccc1CC3 ZINC000204744562 343588958 /nfs/dbraw/zinc/58/89/58/343588958.db2.gz IYFMSUQRWHKHNJ-UHFFFAOYSA-N 0 0 237.277 4.073 10 0 BIAERN Cc1ccc(-c2ccc(F)cc2F)c(C)c1 ZINC000204815507 589377045 /nfs/dbraw/zinc/37/70/45/589377045.db2.gz HBADJIUYIHIBAO-UHFFFAOYSA-N 0 0 218.246 4.249 10 0 BIAERN FC(F)(F)Oc1cccc(-c2cccs2)c1 ZINC000204850256 348413075 /nfs/dbraw/zinc/41/30/75/348413075.db2.gz GKJYIGKXLOYQEE-UHFFFAOYSA-N 0 0 244.237 4.314 10 0 BIAERN CCCn1c2ccsc2c2sccc21 ZINC000205025144 369756293 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CC[C@H](C)Nc1ccc2ccccc2c1N=O ZINC000206779088 348675698 /nfs/dbraw/zinc/67/56/98/348675698.db2.gz JDTGDGHSQAVKKN-JTQLQIEISA-N 0 0 228.295 4.448 10 0 BIAERN Cc1nc2c(cccc2C(C)C)c(C)c1C ZINC000207316474 180062735 /nfs/dbraw/zinc/06/27/35/180062735.db2.gz IECWBAZGQUYFIN-UHFFFAOYSA-N 0 0 213.324 4.283 10 0 BIAERN c1ccc(-c2cccc(C3CCC3)n2)cc1 ZINC000211501779 183379730 /nfs/dbraw/zinc/37/97/30/183379730.db2.gz YAYNWWMMFHBMKE-UHFFFAOYSA-N 0 0 209.292 4.016 10 0 BIAERN C/C=C/C=C/c1ccc2nc(C)sc2c1 ZINC000211679437 385689953 /nfs/dbraw/zinc/68/99/53/385689953.db2.gz IAAHDOPLKKBAPU-VNKDHWASSA-N 0 0 215.321 4.194 10 0 BIAERN CCCCCC(C)(C)CC(=O)O[C@@H](C)CC ZINC000211872968 491122631 /nfs/dbraw/zinc/12/26/31/491122631.db2.gz FCBJVINUIVSQJC-LBPRGKRZSA-N 0 0 228.376 4.325 10 0 BIAERN CCCCCC(C)(C)CC(=O)O[C@H](C)CC ZINC000211873042 349287324 /nfs/dbraw/zinc/28/73/24/349287324.db2.gz FCBJVINUIVSQJC-GFCCVEGCSA-N 0 0 228.376 4.325 10 0 BIAERN CC1(C)CCC[C@H](c2cccc(C=O)c2)C1 ZINC000212111426 591309944 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IQZDYLLNDXHENI-UHFFFAOYSA-N 0 0 227.543 4.369 10 0 BIAERN CC(C)[C@@H]1CNc2c1cc(Cl)cc2Cl ZINC000215512698 353160444 /nfs/dbraw/zinc/16/04/44/353160444.db2.gz CYUUJDNHDUWUIN-VIFPVBQESA-N 0 0 230.138 4.159 10 0 BIAERN CC(C)[C@H]1CNc2c1cc(Cl)cc2Cl ZINC000215512743 353160402 /nfs/dbraw/zinc/16/04/02/353160402.db2.gz CYUUJDNHDUWUIN-SECBINFHSA-N 0 0 230.138 4.159 10 0 BIAERN CC[C@@H](C)Nc1c(Cl)cc(F)cc1Cl ZINC000215562930 349896699 /nfs/dbraw/zinc/89/66/99/349896699.db2.gz GAMFGVFGNBUXEG-ZCFIWIBFSA-N 0 0 236.117 4.343 10 0 BIAERN CC[C@H](C)Nc1c(Cl)cc(F)cc1Cl ZINC000215562974 371580939 /nfs/dbraw/zinc/58/09/39/371580939.db2.gz GAMFGVFGNBUXEG-LURJTMIESA-N 0 0 236.117 4.343 10 0 BIAERN CC1=Nc2cc(Cl)cc(Cl)c2C1(C)C ZINC000215766069 349921475 /nfs/dbraw/zinc/92/14/75/349921475.db2.gz PJASPKZMUOKKPR-UHFFFAOYSA-N 0 0 228.122 4.377 10 0 BIAERN CCCCCCCCS[C@@H](C)C(=O)OCC ZINC000215884971 345849811 /nfs/dbraw/zinc/84/98/11/345849811.db2.gz CUNNTEUWEMXREP-LBPRGKRZSA-N 0 0 246.416 4.032 10 0 BIAERN CCCCCCCCS[C@H](C)C(=O)OCC ZINC000215885019 344134511 /nfs/dbraw/zinc/13/45/11/344134511.db2.gz CUNNTEUWEMXREP-GFCCVEGCSA-N 0 0 246.416 4.032 10 0 BIAERN C(=C\c1ccc(-c2ncc[nH]2)cc1)\c1ccccc1 ZINC000215898539 166228530 /nfs/dbraw/zinc/22/85/30/166228530.db2.gz NPEYLVUQARJHJP-SREVYHEPSA-N 0 0 246.313 4.247 10 0 BIAERN Fc1ccc(/C=C\c2cccs2)cc1 ZINC000216098701 349977904 /nfs/dbraw/zinc/97/79/04/349977904.db2.gz CVBSIZSYEYWSTG-YVMONPNESA-N 0 0 204.269 4.058 10 0 BIAERN FC(F)c1cccc(Cl)c1Br ZINC000217356905 371941561 /nfs/dbraw/zinc/94/15/61/371941561.db2.gz OQYWLLXRBYGDIG-UHFFFAOYSA-N 0 0 241.462 4.040 10 0 BIAERN FC(F)c1coc2ccc(Br)cc21 ZINC000217833507 372017449 /nfs/dbraw/zinc/01/74/49/372017449.db2.gz AKVXIAFPOUHZNV-UHFFFAOYSA-N 0 0 247.038 4.133 10 0 BIAERN FC(F)c1coc2cc(Br)ccc21 ZINC000217833711 372016862 /nfs/dbraw/zinc/01/68/62/372016862.db2.gz NBZJNINZGRJEEY-UHFFFAOYSA-N 0 0 247.038 4.133 10 0 BIAERN SCCc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000218125004 357920254 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BIAERN C/C(=C\C(F)(F)F)c1ccc(Cl)cc1 ZINC000219717784 345859849 /nfs/dbraw/zinc/85/98/49/345859849.db2.gz ISAGDGUITBLLSD-VOTSOKGWSA-N 0 0 220.621 4.306 10 0 BIAERN CSCc1ccc2oc3ccccc3c2c1 ZINC000219959849 345860239 /nfs/dbraw/zinc/86/02/39/345860239.db2.gz CWRGFXMWULSPQN-UHFFFAOYSA-N 0 0 228.316 4.449 10 0 BIAERN C[C@@H]1c2c(cccc2Br)CC1(C)C ZINC000220202487 350165970 /nfs/dbraw/zinc/16/59/70/350165970.db2.gz WENGFAYLSHBNSF-MRVPVSSYSA-N 0 0 239.156 4.135 10 0 BIAERN C[C@H]1c2c(cccc2Br)CC1(C)C ZINC000220202553 345861230 /nfs/dbraw/zinc/86/12/30/345861230.db2.gz WENGFAYLSHBNSF-QMMMGPOBSA-N 0 0 239.156 4.135 10 0 BIAERN CCC(CC)C(=O)c1cccc(Cl)c1C ZINC000220278403 344131343 /nfs/dbraw/zinc/13/13/43/344131343.db2.gz RCCUAFXHIDDGAM-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN Fc1cc(F)c2c(c1F)Oc1ccccc1O2 ZINC000220345506 345861333 /nfs/dbraw/zinc/86/13/33/345861333.db2.gz YMPRGHWPGGPIMK-UHFFFAOYSA-N 0 0 238.164 4.002 10 0 BIAERN FC(F)(F)C(F)(F)c1ccc2ccccc2c1 ZINC000220613680 490614241 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COc1ccc2cc(-c3ccc(C)s3)oc2c1 ZINC000222658582 351002611 /nfs/dbraw/zinc/00/26/11/351002611.db2.gz MMWHCUMYXRQMMB-UHFFFAOYSA-N 0 0 244.315 4.478 10 0 BIAERN CCC/C=C/c1ccccc1Br ZINC000222901778 358216310 /nfs/dbraw/zinc/21/63/10/358216310.db2.gz NFWUEFJYGHTINH-QPJJXVBHSA-N 0 0 225.129 4.262 10 0 BIAERN CCC[C@@]1(F)C=CC(c2ccccc2)=C[C@@H]1F ZINC000222960643 490246170 /nfs/dbraw/zinc/24/61/70/490246170.db2.gz HYSURWPSTOKUCR-LSDHHAIUSA-N 0 0 234.289 4.486 10 0 BIAERN CCC[C@]1(F)C=CC(c2ccccc2)=C[C@H]1F ZINC000222960694 490246162 /nfs/dbraw/zinc/24/61/62/490246162.db2.gz HYSURWPSTOKUCR-CABCVRRESA-N 0 0 234.289 4.486 10 0 BIAERN CCCCCc1ccc(C(=O)CCC)cc1 ZINC000223428510 355872502 /nfs/dbraw/zinc/87/25/02/355872502.db2.gz XIQVJDZQMRQKHZ-UHFFFAOYSA-N 0 0 218.340 4.402 10 0 BIAERN C1=CC(=C(c2ccccc2)c2ccccn2)C=C1 ZINC000223432197 368364932 /nfs/dbraw/zinc/36/49/32/368364932.db2.gz CQAKGTDSQGHPEH-UHFFFAOYSA-N 0 0 231.298 4.010 10 0 BIAERN Clc1cc2cc(-c3cncs3)ccc2cn1 ZINC000223661116 348240199 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/nfs/dbraw/zinc/08/97/78/369089778.db2.gz FAKXQUOFJJKSKV-SNVBAGLBSA-N 0 0 222.353 4.147 10 0 BIAERN CC1(C)CCCC[C@H]1C(=O)c1cccs1 ZINC000226525906 369090287 /nfs/dbraw/zinc/09/02/87/369090287.db2.gz FAKXQUOFJJKSKV-JTQLQIEISA-N 0 0 222.353 4.147 10 0 BIAERN Cc1ccsc1C(=O)[C@@H]1CCCC1(C)C ZINC000226529937 371688826 /nfs/dbraw/zinc/68/88/26/371688826.db2.gz RUSRBCSVANYCSA-JTQLQIEISA-N 0 0 222.353 4.066 10 0 BIAERN Cc1ccsc1C(=O)[C@H]1CCCC1(C)C ZINC000226529943 398285381 /nfs/dbraw/zinc/28/53/81/398285381.db2.gz RUSRBCSVANYCSA-SNVBAGLBSA-N 0 0 222.353 4.066 10 0 BIAERN Cc1cc(C(=O)C2CCCC2)sc1Cl ZINC000226655671 371717351 /nfs/dbraw/zinc/71/73/51/371717351.db2.gz JJSWGNYMPCFKBX-UHFFFAOYSA-N 0 0 228.744 4.083 10 0 BIAERN Cc1cc(C(=O)c2ccsc2)sc1Cl ZINC000226658058 350446082 /nfs/dbraw/zinc/44/60/82/350446082.db2.gz HCOZJRVTKYCRLU-UHFFFAOYSA-N 0 0 242.752 4.002 10 0 BIAERN CCC(C)(C)C(=O)c1cc(C)c(Cl)s1 ZINC000226659723 371718422 /nfs/dbraw/zinc/71/84/22/371718422.db2.gz PPCNDYXYYPCRRK-UHFFFAOYSA-N 0 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O=Cc1ccc(-c2cccc(C3CCC3)c2)cc1 ZINC000229617035 711838764 /nfs/dbraw/zinc/83/87/64/711838764.db2.gz JSXCTWSYYSKTFU-UHFFFAOYSA-N 0 0 236.314 4.434 10 0 BIAERN O=Cc1ccccc1-c1cccc(C2CCC2)c1 ZINC000229617247 711838736 /nfs/dbraw/zinc/83/87/36/711838736.db2.gz NBWRZTWWJRLSDI-UHFFFAOYSA-N 0 0 236.314 4.434 10 0 BIAERN CC(=O)c1ccccc1-c1sccc1Cl ZINC000229946008 342857998 /nfs/dbraw/zinc/85/79/98/342857998.db2.gz ITVQQFIWPOHYHB-UHFFFAOYSA-N 0 0 236.723 4.271 10 0 BIAERN Cc1cc(C=O)ccc1-c1sccc1Cl ZINC000229946024 342858120 /nfs/dbraw/zinc/85/81/20/342858120.db2.gz LVILVLWXEWWOHS-UHFFFAOYSA-N 0 0 236.723 4.189 10 0 BIAERN O=Cc1ccc(-c2sccc2Cl)c(F)c1 ZINC000229946075 342857963 /nfs/dbraw/zinc/85/79/63/342857963.db2.gz BFBWJVWQOGWJNT-UHFFFAOYSA-N 0 0 240.686 4.020 10 0 BIAERN Oc1ccc(-c2sccc2Cl)cc1Cl ZINC000229955618 342860018 /nfs/dbraw/zinc/86/00/18/342860018.db2.gz SMOKYCVVLMDBMC-UHFFFAOYSA-N 0 0 245.130 4.428 10 0 BIAERN Cc1cc(-c2sccc2Cl)ccc1O ZINC000229955682 342859937 /nfs/dbraw/zinc/85/99/37/342859937.db2.gz BTJUNJZMANVPKZ-UHFFFAOYSA-N 0 0 224.712 4.083 10 0 BIAERN Oc1ccc(Cl)cc1-c1sccc1Cl ZINC000229955695 342860036 /nfs/dbraw/zinc/86/00/36/342860036.db2.gz BDOWADYJUDBSFQ-UHFFFAOYSA-N 0 0 245.130 4.428 10 0 BIAERN S=c1cc[nH]c(-c2sccc2Cl)c1 ZINC000229973538 342861878 /nfs/dbraw/zinc/86/18/78/342861878.db2.gz GGDKZJCWXFLERZ-UHFFFAOYSA-N 0 0 227.741 4.126 10 0 BIAERN CCC(CC)Nc1cc(F)cc(Cl)c1 ZINC000229989271 342861418 /nfs/dbraw/zinc/86/14/18/342861418.db2.gz SQHRCMBKRXSIBW-UHFFFAOYSA-N 0 0 215.699 4.080 10 0 BIAERN CCc1cc(Cl)c2c(Cl)cc(F)cc2n1 ZINC000230055767 371643401 /nfs/dbraw/zinc/64/34/01/371643401.db2.gz LTTCLQNXQVFERL-UHFFFAOYSA-N 0 0 244.096 4.243 10 0 BIAERN CCc1cc2c(Cl)cc(F)cc2nc1Cl ZINC000230060009 350984292 /nfs/dbraw/zinc/98/42/92/350984292.db2.gz SBZZKHBGEIMYSV-UHFFFAOYSA-N 0 0 244.096 4.243 10 0 BIAERN C[C@@H]1CCCC2=CC[C@@H]3[C@@H](C3(C)C)[C@@]21C ZINC000230081381 571852717 /nfs/dbraw/zinc/85/27/17/571852717.db2.gz FOBXOZMHEKILEY-IKVITTDRSA-N 0 0 204.357 4.415 10 0 endogenous,in-man BIAERN CC1=CC[C@@H]2[C@H]([C@H]3[C@H]1CC[C@@H]3C)C2(C)C ZINC000230085876 571853152 /nfs/dbraw/zinc/85/31/52/571853152.db2.gz DJAYTQZJAJXFDU-ODXJTPSBSA-N 0 0 204.357 4.271 10 0 endogenous,in-man BIAERN CC(C)CC1(c2nc(Cl)ns2)CCCC1 ZINC000230113505 371852895 /nfs/dbraw/zinc/85/28/95/371852895.db2.gz XBCCXVGQQZNDNL-UHFFFAOYSA-N 0 0 244.791 4.049 10 0 BIAERN Cc1ccc(F)cc1Oc1nc(Cl)cs1 ZINC000230440624 353498591 /nfs/dbraw/zinc/49/85/91/353498591.db2.gz MCLIOAWHIOUEDG-UHFFFAOYSA-N 0 0 243.690 4.036 10 0 BIAERN CCCCC(=O)c1ccccc1C(C)C ZINC000230474240 353501597 /nfs/dbraw/zinc/50/15/97/353501597.db2.gz QKBRHLKVOFXZLL-UHFFFAOYSA-N 0 0 204.313 4.183 10 0 BIAERN COc1c(C)cc(Oc2ccccc2)cc1C ZINC000230494654 368369297 /nfs/dbraw/zinc/36/92/97/368369297.db2.gz DASPGWCPENQJFG-UHFFFAOYSA-N 0 0 228.291 4.104 10 0 BIAERN C[C@@H](Nc1nccc2occc21)c1cccs1 ZINC000230887358 357576839 /nfs/dbraw/zinc/57/68/39/357576839.db2.gz KJTDZBATGMEXNK-SECBINFHSA-N 0 0 244.319 4.062 10 0 BIAERN C[C@H](Nc1nccc2occc21)c1cccs1 ZINC000230887364 357576708 /nfs/dbraw/zinc/57/67/08/357576708.db2.gz KJTDZBATGMEXNK-VIFPVBQESA-N 0 0 244.319 4.062 10 0 BIAERN CCC1CCC(Nc2nccc3occc32)CC1 ZINC000230900413 259324734 /nfs/dbraw/zinc/32/47/34/259324734.db2.gz PNNZDZGABUFEQV-UHFFFAOYSA-N 0 0 244.338 4.209 10 0 BIAERN FC(F)(F)Oc1cc(Cl)cc2ccccc21 ZINC000231493324 363344843 /nfs/dbraw/zinc/34/48/43/363344843.db2.gz FLZGMFPSUYOQOT-UHFFFAOYSA-N 0 0 246.615 4.392 10 0 BIAERN CCc1cc2c(F)ccc(Cl)c2nc1Cl ZINC000231835400 351399601 /nfs/dbraw/zinc/39/96/01/351399601.db2.gz VHZAWOXHOABOJC-UHFFFAOYSA-N 0 0 244.096 4.243 10 0 BIAERN Cc1ccc(C(=O)CC(C)(C)C)cc1Cl ZINC000231983870 353688142 /nfs/dbraw/zinc/68/81/42/353688142.db2.gz GWNWXVFHOWYNBQ-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN CCC(C)(C)C(=O)c1ccc(C)c(Cl)c1 ZINC000231997072 351501771 /nfs/dbraw/zinc/50/17/71/351501771.db2.gz GSIUEQDRPFFCPT-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccc(C)c(Cl)c1 ZINC000231997191 351501845 /nfs/dbraw/zinc/50/18/45/351501845.db2.gz CYCZMSBVYAHQOP-SNVBAGLBSA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@H](C)C(=O)c1ccc(C)c(Cl)c1 ZINC000231997193 351501813 /nfs/dbraw/zinc/50/18/13/351501813.db2.gz CYCZMSBVYAHQOP-JTQLQIEISA-N 0 0 224.731 4.267 10 0 BIAERN C/C(=C/Cl)CNc1ccc(Cl)cc1F ZINC000231998691 351502057 /nfs/dbraw/zinc/50/20/57/351502057.db2.gz PYWPZBHBZDPDBT-ALCCZGGFSA-N 0 0 234.101 4.034 10 0 BIAERN C/C(=C/Cl)CNc1c(C)cccc1Cl ZINC000232000286 385961643 /nfs/dbraw/zinc/96/16/43/385961643.db2.gz LJJFIJPGQHJEGX-VURMDHGXSA-N 0 0 230.138 4.203 10 0 BIAERN C/C(=C/Cl)CNc1cc(F)ccc1Cl ZINC000232001815 353689498 /nfs/dbraw/zinc/68/94/98/353689498.db2.gz MOYYHDYYWJTRSW-ALCCZGGFSA-N 0 0 234.101 4.034 10 0 BIAERN C/C(=C/Cl)CSc1c(N)cccc1Cl ZINC000232004590 351507540 /nfs/dbraw/zinc/50/75/40/351507540.db2.gz URIPLHSSBVYPHW-ALCCZGGFSA-N 0 0 248.178 4.157 10 0 BIAERN CC(C)CNc1cc(Cl)c(F)c(Cl)c1 ZINC000232027429 353682735 /nfs/dbraw/zinc/68/27/35/353682735.db2.gz IQFAURSYYJLAOK-UHFFFAOYSA-N 0 0 236.117 4.200 10 0 BIAERN CC(=O)c1ccc(-c2cccc3ccncc32)cc1 ZINC000232069321 487502113 /nfs/dbraw/zinc/50/21/13/487502113.db2.gz CWQRUABLESGVSJ-UHFFFAOYSA-N 0 0 247.297 4.104 10 0 BIAERN CC(=O)c1cccc(-c2cccc3ccncc32)c1 ZINC000232069330 487501859 /nfs/dbraw/zinc/50/18/59/487501859.db2.gz MSCBSGVAHDQBPD-UHFFFAOYSA-N 0 0 247.297 4.104 10 0 BIAERN O=C(CC1CCC1)c1cc(Cl)sc1Cl ZINC000232155235 351964585 /nfs/dbraw/zinc/96/45/85/351964585.db2.gz LFPHXCXRVXPYPZ-UHFFFAOYSA-N 0 0 249.162 4.428 10 0 BIAERN COc1cc(N[C@@H](C)CC(C)C)ccc1Cl ZINC000232198974 323101432 /nfs/dbraw/zinc/10/14/32/323101432.db2.gz KTMPEMCENOQRDF-JTQLQIEISA-N 0 0 241.762 4.195 10 0 BIAERN COc1cc(N[C@H](C)CC(C)C)ccc1Cl ZINC000232198975 388847840 /nfs/dbraw/zinc/84/78/40/388847840.db2.gz KTMPEMCENOQRDF-SNVBAGLBSA-N 0 0 241.762 4.195 10 0 BIAERN Cc1ccc(Cl)c(-c2ccc(C=O)s2)c1 ZINC000232214915 352458906 /nfs/dbraw/zinc/45/89/06/352458906.db2.gz ZVTMXLIUGJBABL-UHFFFAOYSA-N 0 0 236.723 4.189 10 0 BIAERN Cc1c(N)cccc1-c1ccc(OC(C)C)cc1 ZINC000232215618 487524557 /nfs/dbraw/zinc/52/45/57/487524557.db2.gz PFOQRGMMCPMFAZ-UHFFFAOYSA-N 0 0 241.334 4.031 10 0 BIAERN CCc1cc(Cl)c2c(C)ccc(Cl)c2n1 ZINC000232220637 352482659 /nfs/dbraw/zinc/48/26/59/352482659.db2.gz FXRUOSOMTDBZHE-UHFFFAOYSA-N 0 0 240.133 4.412 10 0 BIAERN CCCCc1cc(Cl)c(O)cc1Cl ZINC000232336122 352629738 /nfs/dbraw/zinc/62/97/38/352629738.db2.gz YWEUNQQVZVYMIG-UHFFFAOYSA-N 0 0 219.111 4.042 10 0 BIAERN C/C=C/CNc1cc(Cl)c(C)cc1Cl ZINC000232470072 352724470 /nfs/dbraw/zinc/72/44/70/352724470.db2.gz XBHHEAGCEVQLRZ-ONEGZZNKSA-N 0 0 230.138 4.290 10 0 BIAERN CC(C)(C)c1c[nH]c2c1cccc2Cl ZINC000232514977 385873405 /nfs/dbraw/zinc/87/34/05/385873405.db2.gz NQDCHIOEHNJEDL-UHFFFAOYSA-N 0 0 207.704 4.119 10 0 BIAERN CC(C)C(=O)[C@@H](C)c1cccc(Cl)c1Cl ZINC000232554727 353128047 /nfs/dbraw/zinc/12/80/47/353128047.db2.gz CKYDSNFLZMGFRL-QMMMGPOBSA-N 0 0 245.149 4.322 10 0 BIAERN CC(C)C(=O)[C@H](C)c1cccc(Cl)c1Cl ZINC000232556479 353128025 /nfs/dbraw/zinc/12/80/25/353128025.db2.gz CKYDSNFLZMGFRL-MRVPVSSYSA-N 0 0 245.149 4.322 10 0 BIAERN FC(F)Oc1c(Cl)cc(Cl)cc1Cl ZINC000232617634 353144921 /nfs/dbraw/zinc/14/49/21/353144921.db2.gz BQPCCHWEPZKXKH-UHFFFAOYSA-N 0 0 247.455 4.248 10 0 BIAERN CC(C)Sc1c(Cl)cc(N)cc1Cl ZINC000232673521 353752577 /nfs/dbraw/zinc/75/25/77/353752577.db2.gz WUCIDNCYQIXUQV-UHFFFAOYSA-N 0 0 236.167 4.076 10 0 BIAERN CC(C)SCc1ccc(Cl)nc1Cl ZINC000232697466 353750134 /nfs/dbraw/zinc/75/01/34/353750134.db2.gz FLMKDZIRTUSEIL-UHFFFAOYSA-N 0 0 236.167 4.030 10 0 BIAERN CC(C)[C@H](C)Sc1cccc(Cl)c1N ZINC000232766177 353386758 /nfs/dbraw/zinc/38/67/58/353386758.db2.gz ROPHQYFIDMEAKN-QMMMGPOBSA-N 0 0 229.776 4.059 10 0 BIAERN CC(C)c1c[nH]c2c1cccc2Br ZINC000232767379 387156804 /nfs/dbraw/zinc/15/68/04/387156804.db2.gz YOHDNEPGNLLFJA-UHFFFAOYSA-N 0 0 238.128 4.054 10 0 BIAERN CC(C)c1c[nH]c2ccc(OC(F)(F)F)cc21 ZINC000232767903 387157756 /nfs/dbraw/zinc/15/77/56/387157756.db2.gz QAKQQTUPORMQLX-UHFFFAOYSA-N 0 0 243.228 4.190 10 0 BIAERN CC1(C)C[C@H]1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000232792648 398241733 /nfs/dbraw/zinc/24/17/33/398241733.db2.gz PBVAIENQEKVIBM-QMMMGPOBSA-N 0 0 243.133 4.222 10 0 BIAERN CC1(C)C[C@H]1C(=O)c1ccc(Cl)cc1Cl ZINC000232792783 372161529 /nfs/dbraw/zinc/16/15/29/372161529.db2.gz VSTWOPOZMRONRQ-VIFPVBQESA-N 0 0 243.133 4.222 10 0 BIAERN CC1(C)C[C@H]1C(=O)c1cccc(Cl)c1Cl ZINC000232793828 353479628 /nfs/dbraw/zinc/47/96/28/353479628.db2.gz LJYVIIFFDCUDFL-QMMMGPOBSA-N 0 0 243.133 4.222 10 0 BIAERN CC1(C(=O)CC2CCCC2)CCCCC1 ZINC000232810311 353576337 /nfs/dbraw/zinc/57/63/37/353576337.db2.gz ILHXWSDZGALQHN-UHFFFAOYSA-N 0 0 208.345 4.106 10 0 BIAERN CC1(C)C(=O)C[C@H]1c1cc(Cl)sc1Cl ZINC000232816600 353583221 /nfs/dbraw/zinc/58/32/21/353583221.db2.gz VBPVWHBYQNASTO-LURJTMIESA-N 0 0 249.162 4.138 10 0 BIAERN CC(C)[C@@H](C)Sc1cccc(Cl)c1N ZINC000232829131 353635067 /nfs/dbraw/zinc/63/50/67/353635067.db2.gz ROPHQYFIDMEAKN-MRVPVSSYSA-N 0 0 229.776 4.059 10 0 BIAERN CCC(CC)C(=O)c1ccc(C)cc1Cl ZINC000232843334 372168524 /nfs/dbraw/zinc/16/85/24/372168524.db2.gz LGECWTLJVDNAGW-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN CCC(CC)C(=O)c1ccc(Cl)c(F)c1 ZINC000232843485 372168968 /nfs/dbraw/zinc/16/89/68/372168968.db2.gz COOUKFKMMGYZJJ-UHFFFAOYSA-N 0 0 228.694 4.098 10 0 BIAERN CCC(CC)C(=O)c1ccc(Cl)cc1C ZINC000232843614 372168460 /nfs/dbraw/zinc/16/84/60/372168460.db2.gz JUGRXSUIPYQIMR-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN CC1CC(Nc2cccc(Cl)c2Cl)C1 ZINC000232854488 353770838 /nfs/dbraw/zinc/77/08/38/353770838.db2.gz RGYRMJIWICYIJB-UHFFFAOYSA-N 0 0 230.138 4.204 10 0 BIAERN CCC(=O)c1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000232856688 353817345 /nfs/dbraw/zinc/81/73/45/353817345.db2.gz SEBBJLYZWIZUKH-UHFFFAOYSA-N 0 0 242.105 4.067 10 0 BIAERN CC1(C)C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000232859418 372169490 /nfs/dbraw/zinc/16/94/90/372169490.db2.gz PBVAIENQEKVIBM-MRVPVSSYSA-N 0 0 243.133 4.222 10 0 BIAERN CC1(C)C[C@@H]1C(=O)c1ccc(Cl)cc1Cl ZINC000232859522 372170444 /nfs/dbraw/zinc/17/04/44/372170444.db2.gz VSTWOPOZMRONRQ-SECBINFHSA-N 0 0 243.133 4.222 10 0 BIAERN CC1(C)C[C@@H]1C(=O)c1cccc(Cl)c1Cl ZINC000232860302 353872945 /nfs/dbraw/zinc/87/29/45/353872945.db2.gz LJYVIIFFDCUDFL-MRVPVSSYSA-N 0 0 243.133 4.222 10 0 BIAERN CC1(C)C(=O)C[C@@H]1c1cc(Cl)sc1Cl ZINC000232866563 353880976 /nfs/dbraw/zinc/88/09/76/353880976.db2.gz VBPVWHBYQNASTO-ZCFIWIBFSA-N 0 0 249.162 4.138 10 0 BIAERN CCCCC(=O)c1ccc(C)cc1Cl ZINC000232914561 354374142 /nfs/dbraw/zinc/37/41/42/354374142.db2.gz FFOHDEWOUHTDCT-UHFFFAOYSA-N 0 0 210.704 4.021 10 0 BIAERN CCC(CC)[C@H]1CCNc2ccccc21 ZINC000232925655 566491781 /nfs/dbraw/zinc/49/17/81/566491781.db2.gz IMEKJGRRMGROQC-GFCCVEGCSA-N 0 0 203.329 4.022 10 0 BIAERN CCC(=O)c1cccc(OC2CCCCCC2)c1 ZINC000232935137 342892326 /nfs/dbraw/zinc/89/23/26/342892326.db2.gz QNZXHLUDUYRTPJ-UHFFFAOYSA-N 0 0 246.350 4.381 10 0 BIAERN CCC(CC)[C@@H]1CCNc2ccccc21 ZINC000232936543 566491811 /nfs/dbraw/zinc/49/18/11/566491811.db2.gz IMEKJGRRMGROQC-LBPRGKRZSA-N 0 0 203.329 4.022 10 0 BIAERN CCC1(CNc2nc(Cl)cs2)CCCC1 ZINC000232991680 372186050 /nfs/dbraw/zinc/18/60/50/372186050.db2.gz NFOUNSBJBRANFE-UHFFFAOYSA-N 0 0 244.791 4.179 10 0 BIAERN CCCC[C@H]1CNc2c1cccc2Cl ZINC000232998424 386683615 /nfs/dbraw/zinc/68/36/15/386683615.db2.gz PWWFECGHOUODKW-VIFPVBQESA-N 0 0 209.720 4.039 10 0 BIAERN CCCC[C@@H]1CNc2c1cccc2Cl ZINC000232999814 355231438 /nfs/dbraw/zinc/23/14/38/355231438.db2.gz PWWFECGHOUODKW-SECBINFHSA-N 0 0 209.720 4.039 10 0 BIAERN CCC[C@@H](C)C(=O)c1cc(Cl)ccc1C ZINC000233272236 342853194 /nfs/dbraw/zinc/85/31/94/342853194.db2.gz JOASEXOVUXUBHW-SNVBAGLBSA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccc(C)cc1Cl ZINC000233272373 342853352 /nfs/dbraw/zinc/85/33/52/342853352.db2.gz RORFFLKAESZKKF-SNVBAGLBSA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccc(Cl)c(C)c1 ZINC000233272406 342853214 /nfs/dbraw/zinc/85/32/14/342853214.db2.gz JIGXWNAELPQAGX-SECBINFHSA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccc(Cl)c(F)c1 ZINC000233272409 342853203 /nfs/dbraw/zinc/85/32/03/342853203.db2.gz FCZDSVWZWNCIKL-MRVPVSSYSA-N 0 0 228.694 4.098 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccc(Cl)cc1C ZINC000233272417 342853191 /nfs/dbraw/zinc/85/31/91/342853191.db2.gz UTRWLLDMVOFGTM-SECBINFHSA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccc(F)c(Cl)c1 ZINC000233272436 342853249 /nfs/dbraw/zinc/85/32/49/342853249.db2.gz ZLYPKJSLANBFLO-MRVPVSSYSA-N 0 0 228.694 4.098 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccc(F)cc1Cl ZINC000233272449 342853285 /nfs/dbraw/zinc/85/32/85/342853285.db2.gz GEMNPINNWMGXEY-MRVPVSSYSA-N 0 0 228.694 4.098 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccc(SCC)cc1 ZINC000233272487 342853639 /nfs/dbraw/zinc/85/36/39/342853639.db2.gz AYTBDRWHHLVYIY-LLVKDONJSA-N 0 0 236.380 4.418 10 0 BIAERN CCC[C@@H](C)C(=O)c1cccc(C)c1Cl ZINC000233272509 342853431 /nfs/dbraw/zinc/85/34/31/342853431.db2.gz GNRCLWBWJVTAJC-SNVBAGLBSA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@@H](C)C(=O)c1cccc(Cl)c1C ZINC000233272523 342853439 /nfs/dbraw/zinc/85/34/39/342853439.db2.gz LFKUZQMVABTWEZ-SECBINFHSA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@@H](C)C(=O)c1cccc(F)c1Cl ZINC000233272535 342853444 /nfs/dbraw/zinc/85/34/44/342853444.db2.gz SLEMVBMOXWWIOW-MRVPVSSYSA-N 0 0 228.694 4.098 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccccc1SC ZINC000233272600 342853456 /nfs/dbraw/zinc/85/34/56/342853456.db2.gz GWTRGRYPIMFDIE-SNVBAGLBSA-N 0 0 222.353 4.027 10 0 BIAERN CCC[C@H](C)C(=O)c1cc(Cl)ccc1C ZINC000233326476 342856645 /nfs/dbraw/zinc/85/66/45/342856645.db2.gz JOASEXOVUXUBHW-JTQLQIEISA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@H](C)C(=O)c1ccc(C)cc1Cl ZINC000233326589 342856524 /nfs/dbraw/zinc/85/65/24/342856524.db2.gz RORFFLKAESZKKF-JTQLQIEISA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@H](C)C(=O)c1ccc(Cl)c(C)c1 ZINC000233326615 342856713 /nfs/dbraw/zinc/85/67/13/342856713.db2.gz JIGXWNAELPQAGX-VIFPVBQESA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@H](C)C(=O)c1ccc(Cl)c(F)c1 ZINC000233326618 384400082 /nfs/dbraw/zinc/40/00/82/384400082.db2.gz FCZDSVWZWNCIKL-QMMMGPOBSA-N 0 0 228.694 4.098 10 0 BIAERN CCC[C@H](C)C(=O)c1ccc(Cl)cc1C ZINC000233326625 342856669 /nfs/dbraw/zinc/85/66/69/342856669.db2.gz UTRWLLDMVOFGTM-VIFPVBQESA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@H](C)C(=O)c1ccc(F)c(Cl)c1 ZINC000233326641 342856478 /nfs/dbraw/zinc/85/64/78/342856478.db2.gz ZLYPKJSLANBFLO-QMMMGPOBSA-N 0 0 228.694 4.098 10 0 BIAERN CCC[C@H](C)C(=O)c1ccc(F)cc1Cl ZINC000233326652 342856431 /nfs/dbraw/zinc/85/64/31/342856431.db2.gz GEMNPINNWMGXEY-QMMMGPOBSA-N 0 0 228.694 4.098 10 0 BIAERN CCC[C@H](C)C(=O)c1ccc(SCC)cc1 ZINC000233326689 342856622 /nfs/dbraw/zinc/85/66/22/342856622.db2.gz AYTBDRWHHLVYIY-NSHDSACASA-N 0 0 236.380 4.418 10 0 BIAERN CCC[C@H](C)C(=O)c1cccc(C)c1Cl ZINC000233326708 342856445 /nfs/dbraw/zinc/85/64/45/342856445.db2.gz GNRCLWBWJVTAJC-JTQLQIEISA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@H](C)C(=O)c1cccc(Cl)c1C ZINC000233326720 342856523 /nfs/dbraw/zinc/85/65/23/342856523.db2.gz LFKUZQMVABTWEZ-VIFPVBQESA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@H](C)C(=O)c1cccc(F)c1Cl ZINC000233326729 342856480 /nfs/dbraw/zinc/85/64/80/342856480.db2.gz SLEMVBMOXWWIOW-QMMMGPOBSA-N 0 0 228.694 4.098 10 0 BIAERN CCC[C@H](C)C(=O)c1ccccc1SC ZINC000233326782 342856475 /nfs/dbraw/zinc/85/64/75/342856475.db2.gz GWTRGRYPIMFDIE-JTQLQIEISA-N 0 0 222.353 4.027 10 0 BIAERN CCCc1c[nH]c2ccc(OC(F)(F)F)cc12 ZINC000233419669 387156478 /nfs/dbraw/zinc/15/64/78/387156478.db2.gz QDBWPYWSQWPKGL-UHFFFAOYSA-N 0 0 243.228 4.019 10 0 BIAERN CCSc1ccc(C(=O)[C@@H](C)CC)cc1 ZINC000233867164 342893262 /nfs/dbraw/zinc/89/32/62/342893262.db2.gz UNGGLZWZGXNENB-JTQLQIEISA-N 0 0 222.353 4.027 10 0 BIAERN CCSc1ccc(C(=O)[C@H](C)CC)cc1 ZINC000233867211 342893186 /nfs/dbraw/zinc/89/31/86/342893186.db2.gz UNGGLZWZGXNENB-SNVBAGLBSA-N 0 0 222.353 4.027 10 0 BIAERN CC[C@@]1(C)CNc2c1cc(Cl)cc2Cl ZINC000233998012 342923948 /nfs/dbraw/zinc/92/39/48/342923948.db2.gz PTZMBZISFFZMPQ-NSHDSACASA-N 0 0 230.138 4.087 10 0 BIAERN CC[C@]1(C)CNc2c1cc(Cl)cc2Cl ZINC000234108892 343355251 /nfs/dbraw/zinc/35/52/51/343355251.db2.gz PTZMBZISFFZMPQ-LLVKDONJSA-N 0 0 230.138 4.087 10 0 BIAERN CCc1c[nH]c2c1cc(Cl)cc2Cl ZINC000234156920 343500347 /nfs/dbraw/zinc/50/03/47/343500347.db2.gz LLPYXUUFANRZKU-UHFFFAOYSA-N 0 0 214.095 4.037 10 0 BIAERN CNc1cccc(-c2ccc(Cl)s2)c1 ZINC000234536635 398177679 /nfs/dbraw/zinc/17/76/79/398177679.db2.gz UNQXWWADASBBQD-UHFFFAOYSA-N 0 0 223.728 4.110 10 0 BIAERN Cc1cc(Cl)ccc1C(=O)Cc1ccccc1 ZINC000235737076 345817680 /nfs/dbraw/zinc/81/76/80/345817680.db2.gz ZOZGFJYYLZPGMD-UHFFFAOYSA-N 0 0 244.721 4.074 10 0 BIAERN Cc1ccsc1-c1ccc(C=O)cc1Cl ZINC000235778478 344130855 /nfs/dbraw/zinc/13/08/55/344130855.db2.gz QZCSFCVRJDASFY-UHFFFAOYSA-N 0 0 236.723 4.189 10 0 BIAERN Cc1ccc(C(=O)C2CCCC2)c(Cl)c1 ZINC000235854959 345949546 /nfs/dbraw/zinc/94/95/46/345949546.db2.gz DGTHDTHLNHJZIG-UHFFFAOYSA-N 0 0 222.715 4.021 10 0 BIAERN Cc1ccc(C(=O)C2CCCCC2)c(Cl)c1 ZINC000235855065 345949798 /nfs/dbraw/zinc/94/97/98/345949798.db2.gz VHVDTFYXHXJUOF-UHFFFAOYSA-N 0 0 236.742 4.411 10 0 BIAERN Cc1ccc(C(=O)CC2CCC2)c(Cl)c1 ZINC000235856871 345949588 /nfs/dbraw/zinc/94/95/88/345949588.db2.gz QCBGGGNJOJUUQW-UHFFFAOYSA-N 0 0 222.715 4.021 10 0 BIAERN Cc1cc(-c2ccc(C=O)cc2Cl)cs1 ZINC000235859229 345949755 /nfs/dbraw/zinc/94/97/55/345949755.db2.gz YPHCRDWOVXYOET-UHFFFAOYSA-N 0 0 236.723 4.189 10 0 BIAERN Cc1ccc(C(=O)Cc2ccccc2)c(Cl)c1 ZINC000235872519 345956166 /nfs/dbraw/zinc/95/61/66/345956166.db2.gz NZPSBJBKHJYKMU-UHFFFAOYSA-N 0 0 244.721 4.074 10 0 BIAERN Cc1ccc(-c2ccc(C=O)o2)c2ccccc12 ZINC000235894061 632846310 /nfs/dbraw/zinc/84/63/10/632846310.db2.gz XLPFTINYCMIVLP-UHFFFAOYSA-N 0 0 236.270 4.221 10 0 BIAERN Cc1ccc(-c2ccc(Cl)c(C=O)c2)s1 ZINC000235895185 345958694 /nfs/dbraw/zinc/95/86/94/345958694.db2.gz XZAFHMKJXLHXKL-UHFFFAOYSA-N 0 0 236.723 4.189 10 0 BIAERN Cc1csc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000235958314 346175619 /nfs/dbraw/zinc/17/56/19/346175619.db2.gz UQHYMLKGVLYENV-UHFFFAOYSA-N 0 0 244.146 4.425 10 0 BIAERN Cc1csc(C(=O)c2ccsc2)c1Cl ZINC000235969563 344275801 /nfs/dbraw/zinc/27/58/01/344275801.db2.gz PSVNJAOOFSORNG-UHFFFAOYSA-N 0 0 242.752 4.002 10 0 BIAERN Cl/C=C/CNc1c(Cl)cccc1Cl ZINC000236015793 344282168 /nfs/dbraw/zinc/28/21/68/344282168.db2.gz HXXLTNHCNBCQOA-GORDUTHDSA-N 0 0 236.529 4.158 10 0 BIAERN Cl/C=C/CNc1cc(Cl)cc(Cl)c1 ZINC000236015865 346183150 /nfs/dbraw/zinc/18/31/50/346183150.db2.gz OMIXTLMURFYRCK-OWOJBTEDSA-N 0 0 236.529 4.158 10 0 BIAERN Cl/C=C/CNc1cc(Cl)ccc1Cl ZINC000236015912 346183600 /nfs/dbraw/zinc/18/36/00/346183600.db2.gz ZXMOCBWNIMUFLB-DAFODLJHSA-N 0 0 236.529 4.158 10 0 BIAERN Cl/C=C/CNc1ccc(Cl)c(Cl)c1 ZINC000236016097 346183563 /nfs/dbraw/zinc/18/35/63/346183563.db2.gz VREVKEXMAIEEQD-DAFODLJHSA-N 0 0 236.529 4.158 10 0 BIAERN Cl/C=C/CNc1ccc(Cl)cc1Cl ZINC000236016137 346183573 /nfs/dbraw/zinc/18/35/73/346183573.db2.gz LVDZCKMKXYTRDZ-DAFODLJHSA-N 0 0 236.529 4.158 10 0 BIAERN Cl/C=C/CNc1cccc(Cl)c1Cl ZINC000236016216 346183581 /nfs/dbraw/zinc/18/35/81/346183581.db2.gz FIPQEAUNQQBUHH-GORDUTHDSA-N 0 0 236.529 4.158 10 0 BIAERN S=c1cc[nH]c(-c2ccc(Cl)s2)c1 ZINC000236040969 346185996 /nfs/dbraw/zinc/18/59/96/346185996.db2.gz GAYCUOVFJDVMAZ-UHFFFAOYSA-N 0 0 227.741 4.126 10 0 BIAERN Clc1cc2c(Cl)ccc(Cl)c2cn1 ZINC000236042258 344287533 /nfs/dbraw/zinc/28/75/33/344287533.db2.gz LXUKPGLPXXKRGP-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN Clc1cc2cc(Cl)c(Cl)cc2cn1 ZINC000236042308 346186435 /nfs/dbraw/zinc/18/64/35/346186435.db2.gz FHBSMPHXEIGKNU-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN Clc1ccc(Cl)c2c(Cl)nccc12 ZINC000236048275 346186324 /nfs/dbraw/zinc/18/63/24/346186324.db2.gz NDDOXEXQGXLEJX-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN Clc1cc(Cl)c(NC2CC2)cc1Cl ZINC000236054915 410568575 /nfs/dbraw/zinc/56/85/75/410568575.db2.gz BHPOAIYRPNVLFW-UHFFFAOYSA-N 0 0 236.529 4.221 10 0 BIAERN Clc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000236059948 346192401 /nfs/dbraw/zinc/19/24/01/346192401.db2.gz OGWFJDNSBCAOOH-UHFFFAOYSA-N 0 0 220.486 4.128 10 0 BIAERN Clc1cc(Cl)c2cc(Cl)ncc2c1 ZINC000236059990 346192557 /nfs/dbraw/zinc/19/25/57/346192557.db2.gz HXWORWLQLQSABN-UHFFFAOYSA-N 0 0 232.497 4.195 10 0 BIAERN O=Cc1occc1-c1cccc(Cl)c1Cl ZINC000236066882 346187961 /nfs/dbraw/zinc/18/79/61/346187961.db2.gz VDKISGFTQGNTEU-UHFFFAOYSA-N 0 0 241.073 4.066 10 0 BIAERN Clc1cc(-c2csc(Cl)n2)cs1 ZINC000236075056 344294686 /nfs/dbraw/zinc/29/46/86/344294686.db2.gz SIPJHROYUCWNJR-UHFFFAOYSA-N 0 0 236.148 4.178 10 0 BIAERN O=Cc1ccc(-c2ccc(C3CCC3)cc2)o1 ZINC000236425813 632938466 /nfs/dbraw/zinc/93/84/66/632938466.db2.gz XPRIWLRZTCISKJ-UHFFFAOYSA-N 0 0 226.275 4.027 10 0 BIAERN O=Cc1ccc(-c2cccc(C3CCC3)c2)o1 ZINC000236425920 632937366 /nfs/dbraw/zinc/93/73/66/632937366.db2.gz QEUSGWAVAKXZQN-UHFFFAOYSA-N 0 0 226.275 4.027 10 0 BIAERN c1ccc2c(c1)C=C[C@H](C1CCCCC1)N2 ZINC000238061511 343239413 /nfs/dbraw/zinc/23/94/13/343239413.db2.gz FXSQXDVEVSTLLG-OAHLLOKOSA-N 0 0 213.324 4.074 10 0 BIAERN c1ccc2c(c1)C=C[C@@H](C1CCCCC1)N2 ZINC000238061828 343239439 /nfs/dbraw/zinc/23/94/39/343239439.db2.gz FXSQXDVEVSTLLG-HNNXBMFYSA-N 0 0 213.324 4.074 10 0 BIAERN C=Cc1cccc2cc(C(C)C)c(O)cc12 ZINC000238200798 343252663 /nfs/dbraw/zinc/25/26/63/343252663.db2.gz ALXRHGHEZWCNOY-UHFFFAOYSA-N 0 0 212.292 4.312 10 0 BIAERN CCCc1cc(CCC2CCCCC2)c[nH]1 ZINC000238237973 343252525 /nfs/dbraw/zinc/25/25/25/343252525.db2.gz JJOOGRPTEJDZCA-UHFFFAOYSA-N 0 0 219.372 4.480 10 0 BIAERN CCc1cccc2cc(C(C)C)c(O)cc21 ZINC000238307960 343255270 /nfs/dbraw/zinc/25/52/70/343255270.db2.gz VDVMTRITAWCWKQ-UHFFFAOYSA-N 0 0 214.308 4.231 10 0 BIAERN C[C@H](c1sccc1N)C1CCCCC1 ZINC000238367037 345030712 /nfs/dbraw/zinc/03/07/12/345030712.db2.gz KSTXXTUGPHYJOR-VIFPVBQESA-N 0 0 209.358 4.014 10 0 BIAERN CSc1c(Cl)ccc(Cl)c1C ZINC000238401652 360996201 /nfs/dbraw/zinc/99/62/01/360996201.db2.gz FVGVNNNBGGUNEF-UHFFFAOYSA-N 0 0 207.125 4.024 10 0 BIAERN CSc1ccc(Cl)c(Cl)c1C ZINC000238415812 345044079 /nfs/dbraw/zinc/04/40/79/345044079.db2.gz NRACJNXWAUVBOY-UHFFFAOYSA-N 0 0 207.125 4.024 10 0 BIAERN CSc1cccc2c1NC(C)(C)C=C2C ZINC000238426954 350767080 /nfs/dbraw/zinc/76/70/80/350767080.db2.gz RVWLNPQRMYEFMX-UHFFFAOYSA-N 0 0 219.353 4.016 10 0 BIAERN C[C@@H](c1sccc1N)C1CCCCC1 ZINC000238433112 343257368 /nfs/dbraw/zinc/25/73/68/343257368.db2.gz KSTXXTUGPHYJOR-SECBINFHSA-N 0 0 209.358 4.014 10 0 BIAERN Cc1cccc2cc(C(F)(F)F)ccc12 ZINC000238456045 345049557 /nfs/dbraw/zinc/04/95/57/345049557.db2.gz IPOWPLFPGJKDFX-UHFFFAOYSA-N 0 0 210.198 4.167 10 0 BIAERN Cc1cccc2ccc(C(F)(F)F)cc12 ZINC000238457122 361079393 /nfs/dbraw/zinc/07/93/93/361079393.db2.gz WFOQCVBCJNAIHY-UHFFFAOYSA-N 0 0 210.198 4.167 10 0 BIAERN Cc1ccncc1-c1ccc(Cl)cc1Cl ZINC000238478953 343257202 /nfs/dbraw/zinc/25/72/02/343257202.db2.gz RICNDCQEZYTLNZ-UHFFFAOYSA-N 0 0 238.117 4.364 10 0 BIAERN FC(F)Oc1c(Cl)ccc2ccccc21 ZINC000238523972 345069126 /nfs/dbraw/zinc/06/91/26/345069126.db2.gz PSQXAWYAYMCURD-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN FC(F)Oc1cc(Cl)c(Cl)c(Cl)c1 ZINC000238525293 345069869 /nfs/dbraw/zinc/06/98/69/345069869.db2.gz OUCGTXXLOHCDTK-UHFFFAOYSA-N 0 0 247.455 4.248 10 0 BIAERN FC(F)Oc1cc(Cl)cc(Cl)c1Cl ZINC000238525391 361139478 /nfs/dbraw/zinc/13/94/78/361139478.db2.gz ZFCDEVARLZPFPL-UHFFFAOYSA-N 0 0 247.455 4.248 10 0 BIAERN FC(F)Oc1cc(Cl)cc2ccccc21 ZINC000238525442 361139489 /nfs/dbraw/zinc/13/94/89/361139489.db2.gz PUCYJTHNNMPIPB-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN Cc1ccc2ccc(C(F)(F)F)cc2c1 ZINC000238527343 387871919 /nfs/dbraw/zinc/87/19/19/387871919.db2.gz LQLTUKVYBYOCMQ-UHFFFAOYSA-N 0 0 210.198 4.167 10 0 BIAERN FC(F)Oc1cccc2c(Cl)cccc12 ZINC000238529803 361140565 /nfs/dbraw/zinc/14/05/65/361140565.db2.gz FGXFKGYJKJJPGW-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN FC(F)Oc1cccc2cc(Cl)ccc21 ZINC000238529889 361140514 /nfs/dbraw/zinc/14/05/14/361140514.db2.gz QQENGRXTBGBOLO-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN FC(F)Oc1cccc2ccc(Cl)cc21 ZINC000238530010 361140055 /nfs/dbraw/zinc/14/00/55/361140055.db2.gz BKWPHSVIBLMDBD-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN FC(F)Oc1cccc2cccc(Cl)c21 ZINC000238530107 361140825 /nfs/dbraw/zinc/14/08/25/361140825.db2.gz CAHWYKYDTRAAIM-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN FC(F)Oc1cc(Cl)c2ccccc2c1 ZINC000238533166 361143313 /nfs/dbraw/zinc/14/33/13/361143313.db2.gz PLWFLVGAAYHFKI-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN FC(F)Oc1cc2ccccc2cc1Cl ZINC000238533368 361143062 /nfs/dbraw/zinc/14/30/62/361143062.db2.gz KYJOQQNJXDKPTK-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN FC(F)Oc1ccc2c(Cl)cccc2c1 ZINC000238534706 361143173 /nfs/dbraw/zinc/14/31/73/361143173.db2.gz XUVYKVDQUNLCQF-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN FC(F)Oc1ccc2cc(Cl)ccc2c1 ZINC000238534772 361143214 /nfs/dbraw/zinc/14/32/14/361143214.db2.gz CMGQFWCHSOHMMS-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN Clc1ccc2c(Br)cccc2c1 ZINC000238534827 345072011 /nfs/dbraw/zinc/07/20/11/345072011.db2.gz FAVCOALOCKGAFR-UHFFFAOYSA-N 0 0 241.515 4.256 10 0 BIAERN FC(F)Oc1ccc2ccc(Cl)cc2c1 ZINC000238534876 361141223 /nfs/dbraw/zinc/14/12/23/361141223.db2.gz LHCZNNLMNUGPCI-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN FC(F)Oc1ccc2cccc(Cl)c2c1 ZINC000238534957 345072115 /nfs/dbraw/zinc/07/21/15/345072115.db2.gz YZLCQCCYFZDEKE-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN FC(F)Oc1ccc2ccccc2c1Cl ZINC000238535034 345071752 /nfs/dbraw/zinc/07/17/52/345071752.db2.gz ZENKFQKIGXOMFB-UHFFFAOYSA-N 0 0 228.625 4.095 10 0 BIAERN Fc1cccc(Cl)c1-c1csc(Cl)n1 ZINC000238543415 345074208 /nfs/dbraw/zinc/07/42/08/345074208.db2.gz QXFUTZFJMURFID-UHFFFAOYSA-N 0 0 248.109 4.256 10 0 BIAERN FC(F)c1c(Cl)ccc2ccccc21 ZINC000238563771 361153474 /nfs/dbraw/zinc/15/34/74/361153474.db2.gz RGGRGBDNIPNNJN-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1c(Cl)cccc1OC(F)(F)F ZINC000238563929 361152793 /nfs/dbraw/zinc/15/27/93/361152793.db2.gz KHDXWPBKPJQSIA-UHFFFAOYSA-N 0 0 246.562 4.176 10 0 BIAERN FC(F)(F)c1ccc(C2CC2)c(Cl)c1 ZINC000238587902 361158676 /nfs/dbraw/zinc/15/86/76/361158676.db2.gz LOELNDKNAPDBLY-UHFFFAOYSA-N 0 0 220.621 4.236 10 0 BIAERN FC(F)c1cc(Cl)c2ccccc2c1 ZINC000238657936 345103412 /nfs/dbraw/zinc/10/34/12/345103412.db2.gz ZBOGBBGPYFMMJY-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1cc2ccccc2cc1Cl ZINC000238659135 345103371 /nfs/dbraw/zinc/10/33/71/345103371.db2.gz YUTVKLHZODDGQC-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1cc(Cl)cc(OC(F)(F)F)c1 ZINC000238659998 344817159 /nfs/dbraw/zinc/81/71/59/344817159.db2.gz AKNILVFFRDQMNV-UHFFFAOYSA-N 0 0 246.562 4.176 10 0 BIAERN FC(F)c1cc(Cl)cc2ccccc21 ZINC000238660103 345103309 /nfs/dbraw/zinc/10/33/09/345103309.db2.gz JNTLNMUXFGZHDP-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1cc(Cl)ccc1OC(F)(F)F ZINC000238660292 361172441 /nfs/dbraw/zinc/17/24/41/361172441.db2.gz BBHVADWXXBWCTC-UHFFFAOYSA-N 0 0 246.562 4.176 10 0 BIAERN FC(F)c1ccc2c(Cl)cccc2c1 ZINC000238660550 345104251 /nfs/dbraw/zinc/10/42/51/345104251.db2.gz BDDQBRCGMBEXOT-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1ccc2cc(Cl)ccc2c1 ZINC000238660727 361172360 /nfs/dbraw/zinc/17/23/60/361172360.db2.gz DOACTFHZULLSEJ-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1ccc2ccc(Cl)cc2c1 ZINC000238660933 345104223 /nfs/dbraw/zinc/10/42/23/345104223.db2.gz AMMGNLJYWJPYIZ-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1ccc2cccc(Cl)c2c1 ZINC000238661192 361174074 /nfs/dbraw/zinc/17/40/74/361174074.db2.gz ZSOHFCXJGRGJPJ-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1ccc2ccccc2c1Cl ZINC000238661409 345103942 /nfs/dbraw/zinc/10/39/42/345103942.db2.gz REQQHWDJTVZNSE-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1cc(OC(F)(F)F)ccc1Cl ZINC000238692099 344936102 /nfs/dbraw/zinc/93/61/02/344936102.db2.gz BNQMKGPHEYSLIE-UHFFFAOYSA-N 0 0 246.562 4.176 10 0 BIAERN FC(F)c1ccc(Cl)c(OC(F)(F)F)c1 ZINC000238698853 344949018 /nfs/dbraw/zinc/94/90/18/344949018.db2.gz REEGKJUMIMVRKP-UHFFFAOYSA-N 0 0 246.562 4.176 10 0 BIAERN FC(F)c1ccc(Cl)c2ccccc21 ZINC000238698903 345112315 /nfs/dbraw/zinc/11/23/15/345112315.db2.gz FLNPRFBBWGFNDV-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1ccc(Cl)cc1OC(F)(F)F ZINC000238699034 361179980 /nfs/dbraw/zinc/17/99/80/361179980.db2.gz WKLFULJHUKARJF-UHFFFAOYSA-N 0 0 246.562 4.176 10 0 BIAERN FC(F)c1ccc(OC(F)(F)F)c(Cl)c1 ZINC000238701396 361365189 /nfs/dbraw/zinc/36/51/89/361365189.db2.gz SDEZILGDGHTVLT-UHFFFAOYSA-N 0 0 246.562 4.176 10 0 BIAERN FC(F)c1ccc(OC(F)(F)F)cc1Cl ZINC000238701467 361364789 /nfs/dbraw/zinc/36/47/89/361364789.db2.gz DHHPRIMPGUHCOD-UHFFFAOYSA-N 0 0 246.562 4.176 10 0 BIAERN FC(F)c1cccc(Cl)c1OC(F)(F)F ZINC000238702504 361364234 /nfs/dbraw/zinc/36/42/34/361364234.db2.gz MXAQKSZMSVXJEP-UHFFFAOYSA-N 0 0 246.562 4.176 10 0 BIAERN FC(F)c1cccc(OC(F)(F)F)c1Cl ZINC000238702764 361364066 /nfs/dbraw/zinc/36/40/66/361364066.db2.gz FVLZVWAYQBWMRZ-UHFFFAOYSA-N 0 0 246.562 4.176 10 0 BIAERN FC(F)c1cccc2c(Cl)cccc21 ZINC000238702886 345113991 /nfs/dbraw/zinc/11/39/91/345113991.db2.gz BDLXXTPSLNSMDZ-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1cccc2cc(Cl)ccc21 ZINC000238702990 345114017 /nfs/dbraw/zinc/11/40/17/345114017.db2.gz BUQLLQFNSKFJPR-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1cccc2ccc(Cl)cc21 ZINC000238703110 345114068 /nfs/dbraw/zinc/11/40/68/345114068.db2.gz LYQMMRNGPBEHTM-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN FC(F)c1cccc2cccc(Cl)c21 ZINC000238703225 345114182 /nfs/dbraw/zinc/11/41/82/345114182.db2.gz QETHJPOKNMUJDC-UHFFFAOYSA-N 0 0 212.626 4.431 10 0 BIAERN CC(=O)[C@H]1CC[C@H](c2ccc(Cl)cc2)CC1 ZINC000248266898 188369989 /nfs/dbraw/zinc/36/99/89/188369989.db2.gz FLHSIPCMAJDSGB-HAQNSBGRSA-N 0 0 236.742 4.203 10 0 BIAERN C[C@@H]1CC[C@@H](C(=O)c2ccsc2)C[C@H]1C ZINC000251680142 362897155 /nfs/dbraw/zinc/89/71/55/362897155.db2.gz GTTSTTZDGJSOLQ-GMTAPVOTSA-N 0 0 222.353 4.003 10 0 BIAERN C[C@@H]1CC[C@H](C(=O)c2ccsc2)C[C@H]1C ZINC000251680143 362897221 /nfs/dbraw/zinc/89/72/21/362897221.db2.gz GTTSTTZDGJSOLQ-MXWKQRLJSA-N 0 0 222.353 4.003 10 0 BIAERN CC[C@@H]1CC[C@@H](Nc2nc(Cl)cs2)[C@H]1C ZINC000251754378 362906321 /nfs/dbraw/zinc/90/63/21/362906321.db2.gz UTYVSWVPQQPSNF-DJLDLDEBSA-N 0 0 244.791 4.033 10 0 BIAERN CC[C@@H]1CC[C@H](Nc2nc(Cl)cs2)[C@H]1C ZINC000251754383 362906445 /nfs/dbraw/zinc/90/64/45/362906445.db2.gz UTYVSWVPQQPSNF-YIZRAAEISA-N 0 0 244.791 4.033 10 0 BIAERN CC(C)c1ccccc1N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252169203 325685507 /nfs/dbraw/zinc/68/55/07/325685507.db2.gz QXDCTAHIRDFLEC-BTTYYORXSA-N 0 0 247.382 4.178 10 0 BIAERN C[C@@H]1CCC[C@@H](Nc2nc(Cl)cs2)[C@H]1C ZINC000252172780 350909691 /nfs/dbraw/zinc/90/96/91/350909691.db2.gz OHJMMEXCHDRSIC-HRDYMLBCSA-N 0 0 244.791 4.033 10 0 BIAERN C[C@@H]1CCC[C@H](Nc2nc(Cl)cs2)[C@H]1C ZINC000252172781 350909550 /nfs/dbraw/zinc/90/95/50/350909550.db2.gz OHJMMEXCHDRSIC-VGMNWLOBSA-N 0 0 244.791 4.033 10 0 BIAERN Cc1ccc(C=Nc2ccc(Cl)cc2)cc1 ZINC000254484033 345704241 /nfs/dbraw/zinc/70/42/41/345704241.db2.gz SVBOXOCGNZRUGS-UHFFFAOYSA-N 0 0 229.710 4.399 10 0 BIAERN Clc1ccccc1N=Cc1cccs1 ZINC000254702348 385717453 /nfs/dbraw/zinc/71/74/53/385717453.db2.gz JUXUOXJFWDKMCQ-UHFFFAOYSA-N 0 0 221.712 4.152 10 0 BIAERN COc1cccc(C=Nc2ccc(Cl)cc2)c1 ZINC000254845436 349336977 /nfs/dbraw/zinc/33/69/77/349336977.db2.gz UZMDMLGMTRMCTJ-UHFFFAOYSA-N 0 0 245.709 4.099 10 0 BIAERN OCCCCCSc1cccc2ccccc21 ZINC000255187389 183048077 /nfs/dbraw/zinc/04/80/77/183048077.db2.gz DEQLRXSCAISSDM-UHFFFAOYSA-N 0 0 246.375 4.095 10 0 BIAERN C/C=C/C=C\c1ccc2nc(C)sc2c1 ZINC000255977993 187396449 /nfs/dbraw/zinc/39/64/49/187396449.db2.gz IAAHDOPLKKBAPU-ICWBMWKASA-N 0 0 215.321 4.194 10 0 BIAERN C[C@@H]1CC[C@H]2[C@H](C1)N(c1ccccc1)OC2(C)C ZINC000256015868 176237761 /nfs/dbraw/zinc/23/77/61/176237761.db2.gz ZLBHWUSWKCOFDB-SNPRPXQTSA-N 0 0 245.366 4.022 10 0 BIAERN C[C@@H]1CC[C@@H]2[C@H](C1)N(c1ccccc1)OC2(C)C ZINC000256015869 176218576 /nfs/dbraw/zinc/21/85/76/176218576.db2.gz ZLBHWUSWKCOFDB-YUELXQCFSA-N 0 0 245.366 4.022 10 0 BIAERN CC[C@H](C)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000256081003 171256526 /nfs/dbraw/zinc/25/65/26/171256526.db2.gz FGHREPYEIHRUKM-XDQVBPFNSA-N 0 0 240.387 4.037 10 0 BIAERN Nc1ccc(N=Nc2ccccc2)c(Cl)c1 ZINC000256082827 487981070 /nfs/dbraw/zinc/98/10/70/487981070.db2.gz BPWATVQHGPVDSF-UHFFFAOYSA-N 0 0 231.686 4.338 10 0 BIAERN Oc1ccccc1/C=C/c1ccccc1Cl ZINC000256173708 349384744 /nfs/dbraw/zinc/38/47/44/349384744.db2.gz OJARCVWIJSCBPW-MDZDMXLPSA-N 0 0 230.694 4.216 10 0 BIAERN Oc1ccccc1/C=C/c1cccc(Cl)c1 ZINC000256176714 351037026 /nfs/dbraw/zinc/03/70/26/351037026.db2.gz QTYVLALLFSOQMV-CMDGGOBGSA-N 0 0 230.694 4.216 10 0 BIAERN CC1=CC[C@@H]2[C@H]([C@@H]3[C@@H](C)CC[C@H]13)C2(C)C ZINC000256375378 574422334 /nfs/dbraw/zinc/42/23/34/574422334.db2.gz DJAYTQZJAJXFDU-RYMFRWLXSA-N 0 0 204.357 4.271 10 0 endogenous,in-man BIAERN Fc1ccc(C=Nc2ccccc2Cl)cc1 ZINC000257351259 349410921 /nfs/dbraw/zinc/41/09/21/349410921.db2.gz CYMFCMCCRPLQSQ-UHFFFAOYSA-N 0 0 233.673 4.230 10 0 BIAERN Nc1ccc(N=Nc2ccccc2)cc1Cl ZINC000257351903 349411512 /nfs/dbraw/zinc/41/15/12/349411512.db2.gz HUPIUXCRWNHLFL-UHFFFAOYSA-N 0 0 231.686 4.338 10 0 BIAERN Fc1ccc(N=Cc2ccc(Cl)cc2)cc1 ZINC000257352975 349409210 /nfs/dbraw/zinc/40/92/10/349409210.db2.gz OPIWCWJBWSGFJD-UHFFFAOYSA-N 0 0 233.673 4.230 10 0 BIAERN CC1=CC[C@@]23[C@@H]1[C@@H]2[C@@H](C(C)C)CC[C@H]3C ZINC000257631730 571860562 /nfs/dbraw/zinc/86/05/62/571860562.db2.gz XUEHVOLRMXNRKQ-NIFZNCRKSA-N 0 0 204.357 4.271 10 0 endogenous,in-man BIAERN CC(C)[C@@H](CF)c1ccc(Br)cc1 ZINC000258032324 385524372 /nfs/dbraw/zinc/52/43/72/385524372.db2.gz RSMNHFVSPZNSOM-LLVKDONJSA-N 0 0 245.135 4.158 10 0 BIAERN CC(C)[C@H](CF)c1ccc(Br)cc1 ZINC000258032325 385524612 /nfs/dbraw/zinc/52/46/12/385524612.db2.gz RSMNHFVSPZNSOM-NSHDSACASA-N 0 0 245.135 4.158 10 0 BIAERN CCCc1ccc(Cl)c(Br)c1 ZINC000258767766 384660440 /nfs/dbraw/zinc/66/04/40/384660440.db2.gz IUYYJUWPAQKUTM-UHFFFAOYSA-N 0 0 233.536 4.055 10 0 BIAERN CCc1sc(Cl)nc1C1CCCC1 ZINC000258844931 384589911 /nfs/dbraw/zinc/58/99/11/384589911.db2.gz KESCVNFIVVPHIQ-UHFFFAOYSA-N 0 0 215.749 4.017 10 0 BIAERN CN(c1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000259031574 349542942 /nfs/dbraw/zinc/54/29/42/349542942.db2.gz TVKRPOTWMYRFEW-UHFFFAOYSA-N 0 0 241.378 4.092 10 0 BIAERN CCOC(=O)CC1CCC2(CCCCC2)CC1 ZINC000260983808 349782955 /nfs/dbraw/zinc/78/29/55/349782955.db2.gz WZRJQVYFESDVEX-UHFFFAOYSA-N 0 0 238.371 4.080 10 0 BIAERN CC1=CC[C@H](CC[C@@H](C)C[C@H](C)CO)C1(C)C ZINC000263584267 345810452 /nfs/dbraw/zinc/81/04/52/345810452.db2.gz OEEATFVPGMIOBV-IPYPFGDCSA-N 0 0 238.415 4.414 10 0 BIAERN CC1=CC[C@H](CC[C@H](C)C[C@H](C)CO)C1(C)C ZINC000263584268 344484135 /nfs/dbraw/zinc/48/41/35/344484135.db2.gz OEEATFVPGMIOBV-YDHLFZDLSA-N 0 0 238.415 4.414 10 0 BIAERN Cc1cc2ccn(C(=O)OC(C)(C)C)c2cc1C ZINC000299889098 178298245 /nfs/dbraw/zinc/29/82/45/178298245.db2.gz DHROXXKCGMPAAS-UHFFFAOYSA-N 0 0 245.322 4.041 10 0 BIAERN O=C1CCCC[C@H](CCC2CCCC2)C1 ZINC000300822051 360522870 /nfs/dbraw/zinc/52/28/70/360522870.db2.gz ZIOZSPCJORDVKZ-CYBMUJFWSA-N 0 0 208.345 4.106 10 0 BIAERN O=C1CCCC[C@@H](CCC2CCCC2)C1 ZINC000300822052 360523123 /nfs/dbraw/zinc/52/31/23/360523123.db2.gz ZIOZSPCJORDVKZ-ZDUSSCGKSA-N 0 0 208.345 4.106 10 0 BIAERN CCCCc1ccc2c(c1)C(C)(C)CCN2 ZINC000300840993 582592592 /nfs/dbraw/zinc/59/25/92/582592592.db2.gz QSLYWMBXVMWBFY-UHFFFAOYSA-N 0 0 217.356 4.122 10 0 BIAERN Cc1cc(Cl)c2ccc(C)c(Cl)c2n1 ZINC000300858402 346584291 /nfs/dbraw/zinc/58/42/91/346584291.db2.gz IOLYOWOVBMQQNY-UHFFFAOYSA-N 0 0 226.106 4.158 10 0 BIAERN CC1(C)CCNc2c(Cl)ccc(Cl)c21 ZINC000300858484 363067677 /nfs/dbraw/zinc/06/76/77/363067677.db2.gz UTPFHLGIIKVNMO-UHFFFAOYSA-N 0 0 230.138 4.087 10 0 BIAERN Cc1cccc(NCCC(C)C)c1Cl ZINC000300866322 352577568 /nfs/dbraw/zinc/57/75/68/352577568.db2.gz JWNWGFQPYHVWBA-UHFFFAOYSA-N 0 0 211.736 4.106 10 0 BIAERN Cc1c(Cl)nc(CCC(C)(C)C)nc1Cl ZINC000300888209 363098277 /nfs/dbraw/zinc/09/82/77/363098277.db2.gz PIVQTZNVQMCYBA-UHFFFAOYSA-N 0 0 247.169 4.071 10 0 BIAERN Cc1c(Cl)nc([C@H](C)CC(C)C)nc1Cl ZINC000300932521 363169005 /nfs/dbraw/zinc/16/90/05/363169005.db2.gz NWOXWMJSGLMVIT-SSDOTTSWSA-N 0 0 247.169 4.241 10 0 BIAERN Cc1c(Cl)nc([C@@H](C)CC(C)C)nc1Cl ZINC000300932523 363169301 /nfs/dbraw/zinc/16/93/01/363169301.db2.gz NWOXWMJSGLMVIT-ZETCQYMHSA-N 0 0 247.169 4.241 10 0 BIAERN C[C@H](Nc1ncc(-c2ccccc2)s1)C1CC1 ZINC000301507076 386851270 /nfs/dbraw/zinc/85/12/70/386851270.db2.gz JHRJERASKVBSEJ-JTQLQIEISA-N 0 0 244.363 4.021 10 0 BIAERN C[C@@H](Nc1ncc(-c2ccccc2)s1)C1CC1 ZINC000301507077 386851469 /nfs/dbraw/zinc/85/14/69/386851469.db2.gz JHRJERASKVBSEJ-SNVBAGLBSA-N 0 0 244.363 4.021 10 0 BIAERN CCc1ccc(N[C@H](C)c2cncs2)cc1C ZINC000301735075 529690062 /nfs/dbraw/zinc/69/00/62/529690062.db2.gz WZQJQJXZCMIIPA-LLVKDONJSA-N 0 0 246.379 4.187 10 0 BIAERN CCc1ccc(N[C@@H](C)c2cncs2)cc1C ZINC000301735077 529689461 /nfs/dbraw/zinc/68/94/61/529689461.db2.gz WZQJQJXZCMIIPA-NSHDSACASA-N 0 0 246.379 4.187 10 0 BIAERN Cc1ccc(Oc2nc3ccccc3o2)cc1F ZINC000302849909 386941002 /nfs/dbraw/zinc/94/10/02/386941002.db2.gz IJVYDERHERKLFK-UHFFFAOYSA-N 0 0 243.237 4.068 10 0 BIAERN CC[C@@H](Nc1ncc(C)s1)c1cccs1 ZINC000302870237 346609480 /nfs/dbraw/zinc/60/94/80/346609480.db2.gz BJMODCJLEYBXMF-SECBINFHSA-N 0 0 238.381 4.076 10 0 BIAERN CC[C@H](Nc1ncc(C)s1)c1cccs1 ZINC000302870238 385013642 /nfs/dbraw/zinc/01/36/42/385013642.db2.gz BJMODCJLEYBXMF-VIFPVBQESA-N 0 0 238.381 4.076 10 0 BIAERN Cc1ccc(C(=O)CCC2CCCC2)c(F)c1 ZINC000304113531 352722257 /nfs/dbraw/zinc/72/22/57/352722257.db2.gz JJNBYXHNSRYTKZ-UHFFFAOYSA-N 0 0 234.314 4.287 10 0 BIAERN CCc1ccccc1C(=O)CCC1CCCC1 ZINC000304163319 398098730 /nfs/dbraw/zinc/09/87/30/398098730.db2.gz IGAXKLMWPNADKJ-UHFFFAOYSA-N 0 0 230.351 4.402 10 0 BIAERN Cc1cccc(C)c1C(=O)CCC1CCCC1 ZINC000304182676 350152399 /nfs/dbraw/zinc/15/23/99/350152399.db2.gz QMDCMBGPOKAGET-UHFFFAOYSA-N 0 0 230.351 4.457 10 0 BIAERN CSC1(CNc2ccccc2C(C)C)CC1 ZINC000304248777 533513722 /nfs/dbraw/zinc/51/37/22/533513722.db2.gz GNOHLZSFHUEBCE-UHFFFAOYSA-N 0 0 235.396 4.118 10 0 BIAERN CSc1ccccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000304510830 350161247 /nfs/dbraw/zinc/16/12/47/350161247.db2.gz DKNBDRJLJBDZEN-QJPTWQEYSA-N 0 0 233.380 4.009 10 0 BIAERN CSc1ccccc1N[C@H]1CCC[C@H]2C[C@H]21 ZINC000304510835 350161505 /nfs/dbraw/zinc/16/15/05/350161505.db2.gz DKNBDRJLJBDZEN-TUAOUCFPSA-N 0 0 233.380 4.009 10 0 BIAERN C[C@H]1C(=O)CC[C@@H]1c1ccc(Cl)cc1Cl ZINC000306156214 398114078 /nfs/dbraw/zinc/11/40/78/398114078.db2.gz COPRZULLWQTZRD-APPZFPTMSA-N 0 0 243.133 4.076 10 0 BIAERN C[C@@H]1C(=O)CC[C@@H]1c1ccc(Cl)cc1Cl ZINC000306156216 398114206 /nfs/dbraw/zinc/11/42/06/398114206.db2.gz COPRZULLWQTZRD-CBAPKCEASA-N 0 0 243.133 4.076 10 0 BIAERN C[C@@H]1C(=O)CC[C@H]1c1ccc(Cl)cc1Cl ZINC000306156218 398114162 /nfs/dbraw/zinc/11/41/62/398114162.db2.gz COPRZULLWQTZRD-IONNQARKSA-N 0 0 243.133 4.076 10 0 BIAERN C[C@H]1C(=O)CC[C@H]1c1ccc(Cl)cc1Cl ZINC000306156219 398114097 /nfs/dbraw/zinc/11/40/97/398114097.db2.gz COPRZULLWQTZRD-VXNVDRBHSA-N 0 0 243.133 4.076 10 0 BIAERN CNc1cccc(-c2ccsc2Cl)c1 ZINC000306156772 358947716 /nfs/dbraw/zinc/94/77/16/358947716.db2.gz CLWDPPLLIVIWFF-UHFFFAOYSA-N 0 0 223.728 4.110 10 0 BIAERN Clc1sccc1CNc1ccsc1 ZINC000306159222 358955039 /nfs/dbraw/zinc/95/50/39/358955039.db2.gz KLMJBSFMAYUSEZ-UHFFFAOYSA-N 0 0 229.757 4.075 10 0 BIAERN C[C@@]1(c2ccc(Cl)cc2Cl)CCC(=O)C1 ZINC000306180474 358991380 /nfs/dbraw/zinc/99/13/80/358991380.db2.gz RSRUHPAXCNXGFV-GFCCVEGCSA-N 0 0 243.133 4.004 10 0 BIAERN C[C@]1(c2ccc(Cl)cc2Cl)CCC(=O)C1 ZINC000306180476 358991001 /nfs/dbraw/zinc/99/10/01/358991001.db2.gz RSRUHPAXCNXGFV-LBPRGKRZSA-N 0 0 243.133 4.004 10 0 BIAERN Cc1cc(Cl)cc(Cl)c1OC(F)(F)F ZINC000306197601 359024997 /nfs/dbraw/zinc/02/49/97/359024997.db2.gz NSANMVAJBBIUAJ-UHFFFAOYSA-N 0 0 245.027 4.200 10 0 BIAERN CC1(C(=O)c2cc(Cl)sc2Cl)CC1 ZINC000306212511 359307344 /nfs/dbraw/zinc/30/73/44/359307344.db2.gz WQWGVIMZMGUZIO-UHFFFAOYSA-N 0 0 235.135 4.038 10 0 BIAERN CC(C)(C)CC(=O)c1ccsc1Cl ZINC000306219199 359336669 /nfs/dbraw/zinc/33/66/69/359336669.db2.gz GHKVHFGBFYEWPU-UHFFFAOYSA-N 0 0 216.733 4.020 10 0 BIAERN Nc1ccc(-c2ccsc2Cl)cc1Cl ZINC000306221905 359343582 /nfs/dbraw/zinc/34/35/82/359343582.db2.gz JXMRSXPWJSHYSX-UHFFFAOYSA-N 0 0 244.146 4.304 10 0 BIAERN Nc1cc(Cl)ccc1-c1ccsc1Cl ZINC000306222795 359345512 /nfs/dbraw/zinc/34/55/12/359345512.db2.gz KUNGYBTVIZUDAM-UHFFFAOYSA-N 0 0 244.146 4.304 10 0 BIAERN S=c1cccc(-c2ccsc2Cl)[nH]1 ZINC000306227671 359364177 /nfs/dbraw/zinc/36/41/77/359364177.db2.gz DPASOKGUPAFSHT-UHFFFAOYSA-N 0 0 227.741 4.126 10 0 BIAERN Clc1csc(-c2ccsc2Cl)n1 ZINC000306228350 359362587 /nfs/dbraw/zinc/36/25/87/359362587.db2.gz FAPNFTNDHMWWOG-UHFFFAOYSA-N 0 0 236.148 4.178 10 0 BIAERN S=c1cc[nH]c(-c2ccsc2Cl)c1 ZINC000306234831 359393139 /nfs/dbraw/zinc/39/31/39/359393139.db2.gz NIFHTOWXCONDEQ-UHFFFAOYSA-N 0 0 227.741 4.126 10 0 BIAERN O=Cc1ccc(F)c(-c2ccsc2Cl)c1 ZINC000306248095 359436435 /nfs/dbraw/zinc/43/64/35/359436435.db2.gz WXRNUFPJHNVMGK-UHFFFAOYSA-N 0 0 240.686 4.020 10 0 BIAERN CC[C@H](C(C)=O)c1ccc(Cl)c(Cl)c1 ZINC000306251066 359456720 /nfs/dbraw/zinc/45/67/20/359456720.db2.gz ZKDIPIOCNOIOID-SECBINFHSA-N 0 0 231.122 4.076 10 0 BIAERN CC[C@@H](C(C)=O)c1ccc(Cl)c(Cl)c1 ZINC000306251067 359456666 /nfs/dbraw/zinc/45/66/66/359456666.db2.gz ZKDIPIOCNOIOID-VIFPVBQESA-N 0 0 231.122 4.076 10 0 BIAERN Cl/C=C(/Cl)CNc1ccsc1Cl ZINC000306269016 359487951 /nfs/dbraw/zinc/48/79/51/359487951.db2.gz SGHZQKNSYRIMGC-HWKANZROSA-N 0 0 242.558 4.132 10 0 BIAERN CSC1(CNc2ccsc2Cl)CCC1 ZINC000306328478 175455076 /nfs/dbraw/zinc/45/50/76/175455076.db2.gz NOBPCCLARMRZSO-UHFFFAOYSA-N 0 0 247.816 4.099 10 0 BIAERN C[C@@H]1CCC[C@H]1Nc1ccsc1Cl ZINC000306336043 359636186 /nfs/dbraw/zinc/63/61/86/359636186.db2.gz GTRLGBJKDHZJDD-HTQZYQBOSA-N 0 0 215.749 4.002 10 0 BIAERN C[C@H]1CCC[C@H]1Nc1ccsc1Cl ZINC000306336044 359635813 /nfs/dbraw/zinc/63/58/13/359635813.db2.gz GTRLGBJKDHZJDD-JGVFFNPUSA-N 0 0 215.749 4.002 10 0 BIAERN C[C@@H]1CCC[C@@H]1Nc1ccsc1Cl ZINC000306336045 359636160 /nfs/dbraw/zinc/63/61/60/359636160.db2.gz GTRLGBJKDHZJDD-SFYZADRCSA-N 0 0 215.749 4.002 10 0 BIAERN C[C@H]1CCC[C@@H]1Nc1ccsc1Cl ZINC000306336046 359636170 /nfs/dbraw/zinc/63/61/70/359636170.db2.gz GTRLGBJKDHZJDD-YUMQZZPRSA-N 0 0 215.749 4.002 10 0 BIAERN C[C@H](Nc1ncc(Cl)s1)c1cccs1 ZINC000306336911 490634599 /nfs/dbraw/zinc/63/45/99/490634599.db2.gz HDPVGWBBYMPQEX-LURJTMIESA-N 0 0 244.772 4.031 10 0 BIAERN Clc1sccc1-c1cccc(Cl)n1 ZINC000306350762 359679477 /nfs/dbraw/zinc/67/94/77/359679477.db2.gz NBVGBRNHHPRQGC-UHFFFAOYSA-N 0 0 230.119 4.117 10 0 BIAERN Cc1cscc1NCc1ccsc1C ZINC000306406279 179809315 /nfs/dbraw/zinc/80/93/15/179809315.db2.gz XCCDQDYZBDHEMZ-UHFFFAOYSA-N 0 0 223.366 4.039 10 0 BIAERN Clc1ccsc1CNc1ccsc1 ZINC000306433920 359929019 /nfs/dbraw/zinc/92/90/19/359929019.db2.gz YHQNYVXNTISUPZ-UHFFFAOYSA-N 0 0 229.757 4.075 10 0 BIAERN Clc1sccc1NCC1CCCC1 ZINC000306438289 359947846 /nfs/dbraw/zinc/94/78/46/359947846.db2.gz GDACFMGUPSQBQF-UHFFFAOYSA-N 0 0 215.749 4.004 10 0 BIAERN Clc1cc(Br)ccc1CC1CC1 ZINC000306455456 344191479 /nfs/dbraw/zinc/19/14/79/344191479.db2.gz ONPIWRODWCCGCZ-UHFFFAOYSA-N 0 0 245.547 4.055 10 0 BIAERN C[C@@H]1CC[C@@H](Nc2ccsc2Cl)C1 ZINC000306466493 360074732 /nfs/dbraw/zinc/07/47/32/360074732.db2.gz GGMHEAQNMRMZMM-HTQZYQBOSA-N 0 0 215.749 4.002 10 0 BIAERN c1csc(CSC2CCCCC2)c1 ZINC000306481066 360138982 /nfs/dbraw/zinc/13/89/82/360138982.db2.gz CWBXLZPTOIGIEV-UHFFFAOYSA-N 0 0 212.383 4.314 10 0 BIAERN Cc1cscc1NCc1cc(Cl)cs1 ZINC000306488560 229393764 /nfs/dbraw/zinc/39/37/64/229393764.db2.gz KTDHKHIQGFIUHD-UHFFFAOYSA-N 0 0 243.784 4.384 10 0 BIAERN CC[C@@H](Nc1ccsc1Cl)C1CCC1 ZINC000306491699 360210107 /nfs/dbraw/zinc/21/01/07/360210107.db2.gz OWDOXSWYJIICNI-SECBINFHSA-N 0 0 229.776 4.392 10 0 BIAERN CC[C@H](Nc1ccsc1Cl)C1CCC1 ZINC000306491700 360210017 /nfs/dbraw/zinc/21/00/17/360210017.db2.gz OWDOXSWYJIICNI-VIFPVBQESA-N 0 0 229.776 4.392 10 0 BIAERN Cc1sc(C(C)(C)C)nc1C1CCC1 ZINC000306496779 360225471 /nfs/dbraw/zinc/22/54/71/360225471.db2.gz YHMPCQAZEGYRPF-UHFFFAOYSA-N 0 0 209.358 4.017 10 0 BIAERN CC(C)(C)[C@H](Nc1nc(Cl)cs1)C1CC1 ZINC000306499759 372025936 /nfs/dbraw/zinc/02/59/36/372025936.db2.gz KMVRIJAFGFEXHX-SECBINFHSA-N 0 0 244.791 4.033 10 0 BIAERN CC(C)(C)[C@@H](Nc1nc(Cl)cs1)C1CC1 ZINC000306499760 372026610 /nfs/dbraw/zinc/02/66/10/372026610.db2.gz KMVRIJAFGFEXHX-VIFPVBQESA-N 0 0 244.791 4.033 10 0 BIAERN Cc1cc(SC(F)(F)F)cc(C)c1F ZINC000306515051 360341236 /nfs/dbraw/zinc/34/12/36/360341236.db2.gz CBDUVSYZBRXWSH-UHFFFAOYSA-N 0 0 224.222 4.054 10 0 BIAERN Cc1ccc(C)c(SC(F)(F)F)c1F ZINC000306523096 360359772 /nfs/dbraw/zinc/35/97/72/360359772.db2.gz RLVFSZUIYRUEJT-UHFFFAOYSA-N 0 0 224.222 4.054 10 0 BIAERN Cc1ccc(F)c(C)c1SC(F)(F)F ZINC000306523267 360360716 /nfs/dbraw/zinc/36/07/16/360360716.db2.gz RWCREIXVXUXGGX-UHFFFAOYSA-N 0 0 224.222 4.054 10 0 BIAERN Clc1sccc1NC1CCCCC1 ZINC000306531768 360389442 /nfs/dbraw/zinc/38/94/42/360389442.db2.gz IORFLLJPVXTTQM-UHFFFAOYSA-N 0 0 215.749 4.146 10 0 BIAERN CSc1c(C)ccc(Cl)c1Cl ZINC000306531883 360390721 /nfs/dbraw/zinc/39/07/21/360390721.db2.gz AZAVPBBVJHFPPN-UHFFFAOYSA-N 0 0 207.125 4.024 10 0 BIAERN CC(C)[C@@H](C)Oc1cc(Cl)ccc1Cl ZINC000306536442 360396273 /nfs/dbraw/zinc/39/62/73/360396273.db2.gz KSWCEIAGADVAQL-MRVPVSSYSA-N 0 0 233.138 4.417 10 0 BIAERN CC(C)[C@H](C)Oc1cc(Cl)ccc1Cl ZINC000306536444 360396106 /nfs/dbraw/zinc/39/61/06/360396106.db2.gz KSWCEIAGADVAQL-QMMMGPOBSA-N 0 0 233.138 4.417 10 0 BIAERN CC(C)(C)C(C)(C)CNc1nc(Cl)cs1 ZINC000306537144 360403372 /nfs/dbraw/zinc/40/33/72/360403372.db2.gz LDOGRYUQOCRSFE-UHFFFAOYSA-N 0 0 246.807 4.281 10 0 BIAERN Cc1ccc(Cl)cc1C(=O)[C@@H](C)C(C)C ZINC000306543925 360413361 /nfs/dbraw/zinc/41/33/61/360413361.db2.gz UBNGQPPVPIYUFG-JTQLQIEISA-N 0 0 224.731 4.123 10 0 BIAERN Cc1ccc(Cl)cc1C(=O)[C@H](C)C(C)C ZINC000306543926 360413276 /nfs/dbraw/zinc/41/32/76/360413276.db2.gz UBNGQPPVPIYUFG-SNVBAGLBSA-N 0 0 224.731 4.123 10 0 BIAERN CC(C)c1nc2c(s1)[C@@H](C)CC[C@H]2C ZINC000306551566 360425755 /nfs/dbraw/zinc/42/57/55/360425755.db2.gz FUICDGIXOVDZNE-BDAKNGLRSA-N 0 0 209.358 4.267 10 0 BIAERN CC(C)c1nc2c(s1)[C@H](C)CC[C@@H]2C ZINC000306551568 360425871 /nfs/dbraw/zinc/42/58/71/360425871.db2.gz FUICDGIXOVDZNE-DTWKUNHWSA-N 0 0 209.358 4.267 10 0 BIAERN CC(C)c1nc2c(s1)[C@@H](C)CC[C@@H]2C ZINC000306551569 360425878 /nfs/dbraw/zinc/42/58/78/360425878.db2.gz FUICDGIXOVDZNE-IUCAKERBSA-N 0 0 209.358 4.267 10 0 BIAERN CC(C)c1nc2c(s1)[C@H](C)CC[C@H]2C ZINC000306551570 360425656 /nfs/dbraw/zinc/42/56/56/360425656.db2.gz FUICDGIXOVDZNE-RKDXNWHRSA-N 0 0 209.358 4.267 10 0 BIAERN Cc1c(Cl)ccc(N)c1SC(C)(C)C ZINC000306558492 360433250 /nfs/dbraw/zinc/43/32/50/360433250.db2.gz KKNVMIMBDKEYPR-UHFFFAOYSA-N 0 0 229.776 4.121 10 0 BIAERN CCC(C)(C)CNc1cccc(Cl)c1 ZINC000306559582 360434161 /nfs/dbraw/zinc/43/41/61/360434161.db2.gz QQBBJYYCOUSHJI-UHFFFAOYSA-N 0 0 211.736 4.188 10 0 BIAERN Fc1ccc(Cl)c(Cl)c1OC(F)(F)F ZINC000306570239 353026224 /nfs/dbraw/zinc/02/62/24/353026224.db2.gz YIGOOMQFQVKFJT-UHFFFAOYSA-N 0 0 248.990 4.031 10 0 BIAERN CC[C@H]1C(=O)C[C@H]1c1c(Cl)cccc1Cl ZINC000306574436 360462819 /nfs/dbraw/zinc/46/28/19/360462819.db2.gz IVCFYYKRKCQKGI-HTQZYQBOSA-N 0 0 243.133 4.076 10 0 BIAERN CC[C@@H]1C(=O)C[C@H]1c1c(Cl)cccc1Cl ZINC000306574437 360463230 /nfs/dbraw/zinc/46/32/30/360463230.db2.gz IVCFYYKRKCQKGI-JGVFFNPUSA-N 0 0 243.133 4.076 10 0 BIAERN CC[C@H]1C(=O)C[C@@H]1c1c(Cl)cccc1Cl ZINC000306574438 360463078 /nfs/dbraw/zinc/46/30/78/360463078.db2.gz IVCFYYKRKCQKGI-SFYZADRCSA-N 0 0 243.133 4.076 10 0 BIAERN CC[C@@H]1C(=O)C[C@@H]1c1c(Cl)cccc1Cl ZINC000306574439 360463254 /nfs/dbraw/zinc/46/32/54/360463254.db2.gz IVCFYYKRKCQKGI-YUMQZZPRSA-N 0 0 243.133 4.076 10 0 BIAERN Cc1c(Cl)c(Cl)ccc1C(F)F ZINC000306583072 360482344 /nfs/dbraw/zinc/48/23/44/360482344.db2.gz DWAYDXWPYYNCCE-UHFFFAOYSA-N 0 0 211.038 4.239 10 0 BIAERN Cc1nc(-c2c(Cl)cccc2Cl)cs1 ZINC000306591095 360505146 /nfs/dbraw/zinc/50/51/46/360505146.db2.gz VIIHCFBCYZQMHS-UHFFFAOYSA-N 0 0 244.146 4.425 10 0 BIAERN Cc1cc(F)c(SC(F)(F)F)cc1Cl ZINC000306598097 360518666 /nfs/dbraw/zinc/51/86/66/360518666.db2.gz FZCYKKFFUOBALR-UHFFFAOYSA-N 0 0 244.640 4.399 10 0 BIAERN CC[C@@H]1C[C@@H]1C(=O)c1cc(Cl)ccc1Cl ZINC000306599784 360520684 /nfs/dbraw/zinc/52/06/84/360520684.db2.gz IEBQDUYSEUPVDD-APPZFPTMSA-N 0 0 243.133 4.222 10 0 BIAERN CC[C@H]1C[C@@H]1C(=O)c1cc(Cl)ccc1Cl ZINC000306599785 360520887 /nfs/dbraw/zinc/52/08/87/360520887.db2.gz IEBQDUYSEUPVDD-CBAPKCEASA-N 0 0 243.133 4.222 10 0 BIAERN CC[C@H]1C[C@H]1C(=O)c1cc(Cl)ccc1Cl ZINC000306599787 360520938 /nfs/dbraw/zinc/52/09/38/360520938.db2.gz IEBQDUYSEUPVDD-IONNQARKSA-N 0 0 243.133 4.222 10 0 BIAERN CC[C@@H]1C[C@H]1C(=O)c1cc(Cl)ccc1Cl ZINC000306599788 360520700 /nfs/dbraw/zinc/52/07/00/360520700.db2.gz IEBQDUYSEUPVDD-VXNVDRBHSA-N 0 0 243.133 4.222 10 0 BIAERN Cc1cc(F)c(SC(F)(F)F)c(Cl)c1 ZINC000306604343 360533010 /nfs/dbraw/zinc/53/30/10/360533010.db2.gz NTPSJFFFOLGFAG-UHFFFAOYSA-N 0 0 244.640 4.399 10 0 BIAERN Cc1cc(SC(F)(F)F)cc(F)c1Cl ZINC000306604408 360533017 /nfs/dbraw/zinc/53/30/17/360533017.db2.gz NYPLQUULOOJFLI-UHFFFAOYSA-N 0 0 244.640 4.399 10 0 BIAERN Cc1c(F)ccc(SC(F)(F)F)c1Cl ZINC000306604456 360530879 /nfs/dbraw/zinc/53/08/79/360530879.db2.gz ODSFUKXWCVBPTC-UHFFFAOYSA-N 0 0 244.640 4.399 10 0 BIAERN CC[C@H]1C[C@H]1C(=O)c1cc(Cl)sc1Cl ZINC000306606183 398220612 /nfs/dbraw/zinc/22/06/12/398220612.db2.gz REIPJNKDNVHQCO-NTSWFWBYSA-N 0 0 249.162 4.284 10 0 BIAERN CC[C@@H]1C[C@H]1C(=O)c1cc(Cl)sc1Cl ZINC000306606184 398220597 /nfs/dbraw/zinc/22/05/97/398220597.db2.gz REIPJNKDNVHQCO-PHDIDXHHSA-N 0 0 249.162 4.284 10 0 BIAERN CC[C@@H]1C[C@@H]1C(=O)c1cc(Cl)sc1Cl ZINC000306606185 398220492 /nfs/dbraw/zinc/22/04/92/398220492.db2.gz REIPJNKDNVHQCO-RITPCOANSA-N 0 0 249.162 4.284 10 0 BIAERN CC[C@H]1C[C@@H]1C(=O)c1cc(Cl)sc1Cl ZINC000306606186 398220442 /nfs/dbraw/zinc/22/04/42/398220442.db2.gz REIPJNKDNVHQCO-WDSKDSINSA-N 0 0 249.162 4.284 10 0 BIAERN Cc1c(Cl)ccc(SC(F)(F)F)c1F ZINC000306609540 360597807 /nfs/dbraw/zinc/59/78/07/360597807.db2.gz YPJTUKPGLYDJHR-UHFFFAOYSA-N 0 0 244.640 4.399 10 0 BIAERN CC[C@@](O)(c1sccc1Cl)C(C)(C)C ZINC000306610737 360779126 /nfs/dbraw/zinc/77/91/26/360779126.db2.gz BTANMECPDMHJSM-LLVKDONJSA-N 0 0 232.776 4.045 10 0 BIAERN CC[C@](O)(c1sccc1Cl)C(C)(C)C ZINC000306610741 360779141 /nfs/dbraw/zinc/77/91/41/360779141.db2.gz BTANMECPDMHJSM-NSHDSACASA-N 0 0 232.776 4.045 10 0 BIAERN Fc1ccc(Cl)c(F)c1SC(F)(F)F ZINC000306615354 361165020 /nfs/dbraw/zinc/16/50/20/361165020.db2.gz NHINRVZCYSMSMZ-UHFFFAOYSA-N 0 0 248.603 4.230 10 0 BIAERN Fc1cc(SC(F)(F)F)cc(Cl)c1F ZINC000306615359 361164732 /nfs/dbraw/zinc/16/47/32/361164732.db2.gz NIJWYHFENRJBEK-UHFFFAOYSA-N 0 0 248.603 4.230 10 0 BIAERN Cc1cc(F)c(C(=O)CC(C)C)cc1Cl ZINC000306624304 361259067 /nfs/dbraw/zinc/25/90/67/361259067.db2.gz FKVYDFPNHUFVFK-UHFFFAOYSA-N 0 0 228.694 4.016 10 0 BIAERN Clc1sccc1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000306628766 361298835 /nfs/dbraw/zinc/29/88/35/361298835.db2.gz JRFARFTZAKGIAV-HRDYMLBCSA-N 0 0 227.760 4.002 10 0 BIAERN Cc1cc(Cl)c(Cl)c(OC(F)(F)F)c1 ZINC000306630625 353030672 /nfs/dbraw/zinc/03/06/72/353030672.db2.gz KSKNMWWGUYXQIT-UHFFFAOYSA-N 0 0 245.027 4.200 10 0 BIAERN CCc1cc(Cl)c(Cl)c(OC(F)F)c1 ZINC000306640068 361593842 /nfs/dbraw/zinc/59/38/42/361593842.db2.gz JFJBXRYGPZWZLB-UHFFFAOYSA-N 0 0 241.064 4.157 10 0 BIAERN C[C@@H](Nc1ccsc1Cl)C1CCCC1 ZINC000306643430 361781342 /nfs/dbraw/zinc/78/13/42/361781342.db2.gz WQKATDCTUPEWOG-MRVPVSSYSA-N 0 0 229.776 4.392 10 0 BIAERN C[C@H](Nc1ccsc1Cl)C1CCCC1 ZINC000306643431 361781336 /nfs/dbraw/zinc/78/13/36/361781336.db2.gz WQKATDCTUPEWOG-QMMMGPOBSA-N 0 0 229.776 4.392 10 0 BIAERN C[C@@H](Nc1ccsc1Cl)C1(C)CC1 ZINC000306646227 361841636 /nfs/dbraw/zinc/84/16/36/361841636.db2.gz BLFSONWSBOAKOY-SSDOTTSWSA-N 0 0 215.749 4.002 10 0 BIAERN C[C@H](Nc1ccsc1Cl)C1(C)CC1 ZINC000306646229 361842287 /nfs/dbraw/zinc/84/22/87/361842287.db2.gz BLFSONWSBOAKOY-ZETCQYMHSA-N 0 0 215.749 4.002 10 0 BIAERN Cc1cc(OC(F)(F)F)cc(Cl)c1Cl ZINC000306651959 361858148 /nfs/dbraw/zinc/85/81/48/361858148.db2.gz SVDMJPVGMYHWHL-UHFFFAOYSA-N 0 0 245.027 4.200 10 0 BIAERN O=C(CC1CCCCC1)c1sccc1F ZINC000306657053 361867534 /nfs/dbraw/zinc/86/75/34/361867534.db2.gz HQNLWXUATFOWCF-UHFFFAOYSA-N 0 0 226.316 4.040 10 0 BIAERN Cc1ccc(F)c(Cl)c1SC(F)(F)F ZINC000306662411 353032909 /nfs/dbraw/zinc/03/29/09/353032909.db2.gz TYMQVEINEFBCRL-UHFFFAOYSA-N 0 0 244.640 4.399 10 0 BIAERN Cc1c(Cl)ccc(F)c1SC(F)(F)F ZINC000306664223 362022198 /nfs/dbraw/zinc/02/21/98/362022198.db2.gz WRVQUZGANBTCNE-UHFFFAOYSA-N 0 0 244.640 4.399 10 0 BIAERN C/C(=C/Cl)COc1cc(F)ccc1Cl ZINC000306675804 350827064 /nfs/dbraw/zinc/82/70/64/350827064.db2.gz ULLPNLIWNXQASR-ALCCZGGFSA-N 0 0 235.085 4.001 10 0 BIAERN Cc1csc([C@H](O)[C@H](C)C(C)C)c1Cl ZINC000306677784 350832661 /nfs/dbraw/zinc/83/26/61/350832661.db2.gz ZVRNNWPEUNEYNP-PSASIEDQSA-N 0 0 232.776 4.035 10 0 BIAERN Cc1csc([C@@H](O)[C@H](C)C(C)C)c1Cl ZINC000306677785 350832539 /nfs/dbraw/zinc/83/25/39/350832539.db2.gz ZVRNNWPEUNEYNP-SCZZXKLOSA-N 0 0 232.776 4.035 10 0 BIAERN Cc1csc([C@H](O)[C@@H](C)C(C)C)c1Cl ZINC000306677786 350832786 /nfs/dbraw/zinc/83/27/86/350832786.db2.gz ZVRNNWPEUNEYNP-WCBMZHEXSA-N 0 0 232.776 4.035 10 0 BIAERN Cc1csc([C@@H](O)[C@@H](C)C(C)C)c1Cl ZINC000306677787 350832784 /nfs/dbraw/zinc/83/27/84/350832784.db2.gz ZVRNNWPEUNEYNP-WPRPVWTQSA-N 0 0 232.776 4.035 10 0 BIAERN CC(C)[C@H](Nc1nc(Cl)cs1)C1CCC1 ZINC000306698884 386722813 /nfs/dbraw/zinc/72/28/13/386722813.db2.gz CYYIMLQSLIPZCE-JTQLQIEISA-N 0 0 244.791 4.033 10 0 BIAERN CC(C)[C@@H](Nc1nc(Cl)cs1)C1CCC1 ZINC000306698885 386724133 /nfs/dbraw/zinc/72/41/33/386724133.db2.gz CYYIMLQSLIPZCE-SNVBAGLBSA-N 0 0 244.791 4.033 10 0 BIAERN Fc1ccc(Cl)c(OC(F)(F)F)c1Cl ZINC000306699125 350848649 /nfs/dbraw/zinc/84/86/49/350848649.db2.gz IAVBSWMSQMVBGB-UHFFFAOYSA-N 0 0 248.990 4.031 10 0 BIAERN Fc1ccc(SC(F)(F)F)c(Cl)c1F ZINC000306705190 350854006 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/nfs/dbraw/zinc/08/40/58/351084058.db2.gz CLSOSGMXOFNMNT-LLVKDONJSA-N 0 0 233.138 4.001 10 0 BIAERN CCC[C@](C)(O)c1ccc(Cl)cc1Cl ZINC000306814149 351084080 /nfs/dbraw/zinc/08/40/80/351084080.db2.gz CLSOSGMXOFNMNT-NSHDSACASA-N 0 0 233.138 4.001 10 0 BIAERN Cc1ccc(SC(F)(F)F)c(F)c1C ZINC000306824797 351132824 /nfs/dbraw/zinc/13/28/24/351132824.db2.gz WKBDDJZOGQFJIN-UHFFFAOYSA-N 0 0 224.222 4.054 10 0 BIAERN Cc1cc(F)cc(C)c1SC(F)(F)F ZINC000306839010 351149584 /nfs/dbraw/zinc/14/95/84/351149584.db2.gz YCHAVDXEXFEZHW-UHFFFAOYSA-N 0 0 224.222 4.054 10 0 BIAERN Cc1cc(OC(F)(F)F)c(Cl)cc1Cl ZINC000306840457 351150489 /nfs/dbraw/zinc/15/04/89/351150489.db2.gz BGXRQBHUFRSTQY-UHFFFAOYSA-N 0 0 245.027 4.200 10 0 BIAERN Cc1cc(Cl)c(F)cc1SC(F)(F)F ZINC000306843967 351156576 /nfs/dbraw/zinc/15/65/76/351156576.db2.gz GYDSKQKSRVGATN-UHFFFAOYSA-N 0 0 244.640 4.399 10 0 BIAERN CCc1ccc(Cl)c(Cl)c1OC(F)F ZINC000306847250 351158745 /nfs/dbraw/zinc/15/87/45/351158745.db2.gz JPYUILVTXWZSLG-UHFFFAOYSA-N 0 0 241.064 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246.379 4.187 10 0 BIAERN Fc1c(Cl)ccc(OC(F)(F)F)c1Cl ZINC000306942254 351373177 /nfs/dbraw/zinc/37/31/77/351373177.db2.gz SFKRLPNLUFIICV-UHFFFAOYSA-N 0 0 248.990 4.031 10 0 BIAERN Cc1cc(F)c(SC(F)(F)F)cc1C ZINC000306951572 351380092 /nfs/dbraw/zinc/38/00/92/351380092.db2.gz DNFJMAYVRRSBBH-UHFFFAOYSA-N 0 0 224.222 4.054 10 0 BIAERN CSc1ccc(Cl)c(C)c1Cl ZINC000306968265 385728329 /nfs/dbraw/zinc/72/83/29/385728329.db2.gz HNEGMHGYZLEKOO-UHFFFAOYSA-N 0 0 207.125 4.024 10 0 BIAERN Cc1ccc(Cl)c(C(=O)C2CCCC2)c1 ZINC000306994815 353048615 /nfs/dbraw/zinc/04/86/15/353048615.db2.gz ONUFWAQODIPGIM-UHFFFAOYSA-N 0 0 222.715 4.021 10 0 BIAERN Fc1ccc(SC(F)(F)F)c(F)c1Cl ZINC000306998109 351412680 /nfs/dbraw/zinc/41/26/80/351412680.db2.gz BAJPUYROFWUXJK-UHFFFAOYSA-N 0 0 248.603 4.230 10 0 BIAERN CC(C)C[C@@H](C)Nc1ccsc1Cl ZINC000307000566 351411955 /nfs/dbraw/zinc/41/19/55/351411955.db2.gz BUVRVSRNHQZQGO-MRVPVSSYSA-N 0 0 217.765 4.248 10 0 BIAERN CC(C)C[C@H](C)Nc1ccsc1Cl ZINC000307000578 351411837 /nfs/dbraw/zinc/41/18/37/351411837.db2.gz BUVRVSRNHQZQGO-QMMMGPOBSA-N 0 0 217.765 4.248 10 0 BIAERN Fc1cc(SC(F)(F)F)cc(F)c1Cl ZINC000307000830 351412379 /nfs/dbraw/zinc/41/23/79/351412379.db2.gz BKBSJKMTZWUUBB-UHFFFAOYSA-N 0 0 248.603 4.230 10 0 BIAERN Clc1sccc1NCC1CCCCC1 ZINC000307006031 351415693 /nfs/dbraw/zinc/41/56/93/351415693.db2.gz FSLPQTCGGVEIFY-UHFFFAOYSA-N 0 0 229.776 4.394 10 0 BIAERN Cc1cscc1NC[C@H](C)C(C)(C)C ZINC000307009971 351417293 /nfs/dbraw/zinc/41/72/93/351417293.db2.gz ILIBQDBADWDYJN-JTQLQIEISA-N 0 0 211.374 4.151 10 0 BIAERN Cc1cscc1NC[C@@H](C)C(C)(C)C ZINC000307009974 351417365 /nfs/dbraw/zinc/41/73/65/351417365.db2.gz ILIBQDBADWDYJN-SNVBAGLBSA-N 0 0 211.374 4.151 10 0 BIAERN Clc1sccc1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000307011056 351418926 /nfs/dbraw/zinc/41/89/26/351418926.db2.gz JRFARFTZAKGIAV-VGMNWLOBSA-N 0 0 227.760 4.002 10 0 BIAERN Cc1c(F)cc(Cl)cc1SC(F)(F)F ZINC000307023030 351427750 /nfs/dbraw/zinc/42/77/50/351427750.db2.gz FKVAOZVHNVULNU-UHFFFAOYSA-N 0 0 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/nfs/dbraw/zinc/45/44/18/351454418.db2.gz OIXUDPSVDLNEBP-UHFFFAOYSA-N 0 0 245.027 4.200 10 0 BIAERN Cc1cc(Cl)c(OC(F)(F)F)cc1Cl ZINC000307053136 351452052 /nfs/dbraw/zinc/45/20/52/351452052.db2.gz PGOXFVJQICHKAR-UHFFFAOYSA-N 0 0 245.027 4.200 10 0 BIAERN CSc1ccc(C)c(Cl)c1Cl ZINC000307074171 351464461 /nfs/dbraw/zinc/46/44/61/351464461.db2.gz ARCBLURRXAONIO-UHFFFAOYSA-N 0 0 207.125 4.024 10 0 BIAERN Cc1ccc(SC(F)(F)F)c(C)c1F ZINC000307074765 351464813 /nfs/dbraw/zinc/46/48/13/351464813.db2.gz BFJJDHDAHIAYDH-UHFFFAOYSA-N 0 0 224.222 4.054 10 0 BIAERN Cc1c(F)ccc(Cl)c1SC(F)(F)F ZINC000307095551 385905703 /nfs/dbraw/zinc/90/57/03/385905703.db2.gz GNWHFTALWKIXRH-UHFFFAOYSA-N 0 0 244.640 4.399 10 0 BIAERN Cc1cc(SC(F)(F)F)cc(F)c1C ZINC000307106450 351482001 /nfs/dbraw/zinc/48/20/01/351482001.db2.gz JSUQGCYKNGOMIP-UHFFFAOYSA-N 0 0 224.222 4.054 10 0 BIAERN Cc1sc(NCc2ccccc2)nc1C(C)C ZINC000307108238 351483591 /nfs/dbraw/zinc/48/35/91/351483591.db2.gz JWIJMPWSXYKDFL-UHFFFAOYSA-N 0 0 246.379 4.187 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/nfs/dbraw/zinc/98/95/81/397989581.db2.gz DRUZAYWVACZQFY-UHFFFAOYSA-N 0 0 244.640 4.399 10 0 BIAERN CCC(C)(C)C(=O)c1cc(C)ccc1Cl ZINC000307155233 353058252 /nfs/dbraw/zinc/05/82/52/353058252.db2.gz DRZMMFPMIQYTPW-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN CC1(CNc2ccsc2Cl)CCC1 ZINC000307155974 168049139 /nfs/dbraw/zinc/04/91/39/168049139.db2.gz FLJWPCUEYVZCHE-UHFFFAOYSA-N 0 0 215.749 4.004 10 0 BIAERN Cc1cscc1NCc1sccc1Cl ZINC000307159588 384950976 /nfs/dbraw/zinc/95/09/76/384950976.db2.gz USNYPZYEDNYMLT-UHFFFAOYSA-N 0 0 243.784 4.384 10 0 BIAERN CCc1c(Cl)ccc(OC(F)F)c1Cl ZINC000307164823 351527614 /nfs/dbraw/zinc/52/76/14/351527614.db2.gz HSDWCAKXQKLLSL-UHFFFAOYSA-N 0 0 241.064 4.157 10 0 BIAERN Fc1cc(Cl)cc(SC(F)(F)F)c1F ZINC000307180097 351566969 /nfs/dbraw/zinc/56/69/69/351566969.db2.gz NJEKJPLWSGBYMC-UHFFFAOYSA-N 0 0 248.603 4.230 10 0 BIAERN CCc1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000307182751 398013734 /nfs/dbraw/zinc/01/37/34/398013734.db2.gz VYHPYPFXOJIYJB-UHFFFAOYSA-N 0 0 241.064 4.157 10 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351612691 /nfs/dbraw/zinc/61/26/91/351612691.db2.gz NMQXNGXWSNCQOV-IUCAKERBSA-N 0 0 209.358 4.096 10 0 BIAERN CCCc1nc2c(s1)[C@H](C)CC[C@H]2C ZINC000307211151 351612726 /nfs/dbraw/zinc/61/27/26/351612726.db2.gz NMQXNGXWSNCQOV-RKDXNWHRSA-N 0 0 209.358 4.096 10 0 BIAERN CC(C)(C)c1ccc(C(=O)C2(C)CC2)s1 ZINC000307227810 351671724 /nfs/dbraw/zinc/67/17/24/351671724.db2.gz GAPZVZBMCIYBQV-UHFFFAOYSA-N 0 0 222.353 4.028 10 0 BIAERN Cc1ccc(C(F)F)c(Cl)c1Cl ZINC000307237224 351723704 /nfs/dbraw/zinc/72/37/04/351723704.db2.gz WQFCRBBXZRJCQF-UHFFFAOYSA-N 0 0 211.038 4.239 10 0 BIAERN CC(C)(C)C[C@@](C)(O)c1sccc1Cl ZINC000307239503 351730668 /nfs/dbraw/zinc/73/06/68/351730668.db2.gz HSEOYZXPPSNELK-LLVKDONJSA-N 0 0 232.776 4.045 10 0 BIAERN CC(C)(C)C[C@](C)(O)c1sccc1Cl ZINC000307239504 351730564 /nfs/dbraw/zinc/73/05/64/351730564.db2.gz HSEOYZXPPSNELK-NSHDSACASA-N 0 0 232.776 4.045 10 0 BIAERN Fc1cc(F)c(SC(F)(F)F)c(Cl)c1 ZINC000307268842 351815666 /nfs/dbraw/zinc/81/56/66/351815666.db2.gz 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Cc1cc(Cl)c(Cl)cc1OC(F)(F)F ZINC000307315511 372110049 /nfs/dbraw/zinc/11/00/49/372110049.db2.gz XWCHIQNXKSWAJQ-UHFFFAOYSA-N 0 0 245.027 4.200 10 0 BIAERN CC(C)CCc1cc(Cl)c(Cl)cc1N ZINC000307317568 351991704 /nfs/dbraw/zinc/99/17/04/351991704.db2.gz KVRXXWXGRQNFTJ-UHFFFAOYSA-N 0 0 232.154 4.164 10 0 BIAERN CC1(CC(=O)c2cccc(Cl)c2)CCC1 ZINC000307320611 351998730 /nfs/dbraw/zinc/99/87/30/351998730.db2.gz VKTPSLKSPJWEJB-UHFFFAOYSA-N 0 0 222.715 4.103 10 0 BIAERN CC(=O)[C@@H](C)Sc1cc(Cl)cc(Cl)c1 ZINC000307334888 352054074 /nfs/dbraw/zinc/05/40/74/352054074.db2.gz MNXPKLKLTGYKLJ-SSDOTTSWSA-N 0 0 249.162 4.063 10 0 BIAERN CC(=O)[C@H](C)Sc1cc(Cl)cc(Cl)c1 ZINC000307335364 398078612 /nfs/dbraw/zinc/07/86/12/398078612.db2.gz MNXPKLKLTGYKLJ-ZETCQYMHSA-N 0 0 249.162 4.063 10 0 BIAERN FC(F)c1ccc(NCc2ccccc2)cc1 ZINC000307355804 352323502 /nfs/dbraw/zinc/32/35/02/352323502.db2.gz UNAXZMFHDKOADQ-UHFFFAOYSA-N 0 0 233.261 4.236 10 0 BIAERN Cc1csc(C(=O)CC2(C)CCC2)c1Cl ZINC000307361016 352445039 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211.038 4.239 10 0 BIAERN Cc1c(Cl)c(F)ccc1SC(F)(F)F ZINC000307647034 352737061 /nfs/dbraw/zinc/73/70/61/352737061.db2.gz DDVQLKJSQHUDSD-UHFFFAOYSA-N 0 0 244.640 4.399 10 0 BIAERN Fc1cc(F)c(SC(F)(F)F)cc1Cl ZINC000307651406 352742739 /nfs/dbraw/zinc/74/27/39/352742739.db2.gz LUXKGZRNZUNRIO-UHFFFAOYSA-N 0 0 248.603 4.230 10 0 BIAERN CC1(CC(=O)c2sccc2F)CCCC1 ZINC000307721561 372142501 /nfs/dbraw/zinc/14/25/01/372142501.db2.gz WUWNSKBMGQDVPU-UHFFFAOYSA-N 0 0 226.316 4.040 10 0 BIAERN O=C(c1cc(Cl)cc(Cl)c1Cl)C1CC1 ZINC000307745504 353124558 /nfs/dbraw/zinc/12/45/58/353124558.db2.gz RZSIOPICBLMOET-UHFFFAOYSA-N 0 0 249.524 4.240 10 0 BIAERN C/C(=C\Cl)CNc1c(C)cccc1Cl ZINC000308449000 355609107 /nfs/dbraw/zinc/60/91/07/355609107.db2.gz LJJFIJPGQHJEGX-SOFGYWHQSA-N 0 0 230.138 4.203 10 0 BIAERN CCCCC/C=C\C(F)(F)C(F)(F)F ZINC000308466026 342815962 /nfs/dbraw/zinc/81/59/62/342815962.db2.gz XCLGGUGYHZTBNB-SREVYHEPSA-N 0 0 216.193 4.321 10 0 BIAERN CCCCC(=O)c1c(C)cccc1Cl ZINC000308466098 342815780 /nfs/dbraw/zinc/81/57/80/342815780.db2.gz XXXJZKVAQTVRID-UHFFFAOYSA-N 0 0 210.704 4.021 10 0 BIAERN C/C(=C\Cl)CNc1cc(F)ccc1Cl ZINC000308466262 342815206 /nfs/dbraw/zinc/81/52/06/342815206.db2.gz MOYYHDYYWJTRSW-FNORWQNLSA-N 0 0 234.101 4.034 10 0 BIAERN CCC(=O)CSc1cc(Cl)cc(Cl)c1 ZINC000308481267 397951199 /nfs/dbraw/zinc/95/11/99/397951199.db2.gz MYKOPNUTMQJRCE-UHFFFAOYSA-N 0 0 249.162 4.065 10 0 BIAERN C/C(=C\Cl)COc1cc(F)ccc1Cl ZINC000308600675 342857476 /nfs/dbraw/zinc/85/74/76/342857476.db2.gz ULLPNLIWNXQASR-FNORWQNLSA-N 0 0 235.085 4.001 10 0 BIAERN CCCC[C@H](NO)c1ccc(Cl)cc1Cl ZINC000308756298 342867600 /nfs/dbraw/zinc/86/76/00/342867600.db2.gz WTMCUNMNHVUREW-NSHDSACASA-N 0 0 248.153 4.204 10 0 BIAERN CCCC[C@@H](NO)c1cc(Cl)cc(Cl)c1 ZINC000308758701 342867593 /nfs/dbraw/zinc/86/75/93/342867593.db2.gz FGINLZCEYGJUHK-LLVKDONJSA-N 0 0 248.153 4.204 10 0 BIAERN CCCC[C@H](NO)c1cc(Cl)cc(Cl)c1 ZINC000308758704 342867634 /nfs/dbraw/zinc/86/76/34/342867634.db2.gz FGINLZCEYGJUHK-NSHDSACASA-N 0 0 248.153 4.204 10 0 BIAERN CCCC[C@H](NO)c1cccc(Cl)c1Cl ZINC000308763086 342870082 /nfs/dbraw/zinc/87/00/82/342870082.db2.gz SGVBMBSZLDBQDX-JTQLQIEISA-N 0 0 248.153 4.204 10 0 BIAERN CCCC[C@@H](NO)c1ccc(Cl)cc1Cl ZINC000308764279 342870113 /nfs/dbraw/zinc/87/01/13/342870113.db2.gz WTMCUNMNHVUREW-LLVKDONJSA-N 0 0 248.153 4.204 10 0 BIAERN CC(C)c1ccccc1N[C@H]1CC[C@@H]1C ZINC000308776811 631642264 /nfs/dbraw/zinc/64/22/64/631642264.db2.gz APRNDTJSUPIWRQ-AAEUAGOBSA-N 0 0 203.329 4.020 10 0 BIAERN CC(C)c1ccccc1N[C@@H]1CC[C@H]1C ZINC000308776812 631642568 /nfs/dbraw/zinc/64/25/68/631642568.db2.gz APRNDTJSUPIWRQ-DGCLKSJQSA-N 0 0 203.329 4.020 10 0 BIAERN CC(C)c1ccccc1N[C@@H]1CC[C@@H]1C ZINC000308776813 631378233 /nfs/dbraw/zinc/37/82/33/631378233.db2.gz APRNDTJSUPIWRQ-WCQYABFASA-N 0 0 203.329 4.020 10 0 BIAERN CC(C)c1ccccc1N[C@H]1CC[C@H]1C ZINC000308776814 631641955 /nfs/dbraw/zinc/64/19/55/631641955.db2.gz APRNDTJSUPIWRQ-YPMHNXCESA-N 0 0 203.329 4.020 10 0 BIAERN CCC[C@H](C)C(=O)c1c(C)cccc1Cl ZINC000308787561 342871469 /nfs/dbraw/zinc/87/14/69/342871469.db2.gz GXZXENGWQJVWGX-JTQLQIEISA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@@H](C)C(=O)c1c(C)cccc1Cl ZINC000308787564 342871439 /nfs/dbraw/zinc/87/14/39/342871439.db2.gz GXZXENGWQJVWGX-SNVBAGLBSA-N 0 0 224.731 4.267 10 0 BIAERN CC[C@H](C)C(=O)c1cc(Cl)cc(F)c1Cl ZINC000308792464 346912497 /nfs/dbraw/zinc/91/24/97/346912497.db2.gz DSYVQHJPDFTCML-LURJTMIESA-N 0 0 249.112 4.361 10 0 BIAERN CC[C@@H](C)C(=O)c1cc(Cl)cc(F)c1Cl ZINC000308792466 342871760 /nfs/dbraw/zinc/87/17/60/342871760.db2.gz DSYVQHJPDFTCML-ZCFIWIBFSA-N 0 0 249.112 4.361 10 0 BIAERN CCC(CC)C(=O)c1cc(C)ccc1Cl ZINC000308795550 342871605 /nfs/dbraw/zinc/87/16/05/342871605.db2.gz GUTZAQGDXHFVFJ-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN Cc1cccc(Cl)c1C(=O)CC(C)(C)C ZINC000308800665 342871834 /nfs/dbraw/zinc/87/18/34/342871834.db2.gz KTEPJZAJXWCMHL-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN Cc1cc(C(=O)C(C)(C)C)cc(C)c1Cl ZINC000308817432 342873353 /nfs/dbraw/zinc/87/33/53/342873353.db2.gz WJRNZPHSJXSSMK-UHFFFAOYSA-N 0 0 224.731 4.186 10 0 BIAERN Cc1cccc(Cl)c1C(=O)C1CCCC1 ZINC000308818285 342873452 /nfs/dbraw/zinc/87/34/52/342873452.db2.gz WPUWIRUVVQZYIH-UHFFFAOYSA-N 0 0 222.715 4.021 10 0 BIAERN CCC[C@H](C)C(=O)c1cc(C)ccc1Cl ZINC000308819087 342873384 /nfs/dbraw/zinc/87/33/84/342873384.db2.gz XEEXUPAGHKXUEK-JTQLQIEISA-N 0 0 224.731 4.267 10 0 BIAERN CCC[C@@H](C)C(=O)c1cc(C)ccc1Cl ZINC000308819089 342873330 /nfs/dbraw/zinc/87/33/30/342873330.db2.gz XEEXUPAGHKXUEK-SNVBAGLBSA-N 0 0 224.731 4.267 10 0 BIAERN CC(C)(C)CC(=O)c1cccc(F)c1Cl ZINC000308826961 346923594 /nfs/dbraw/zinc/92/35/94/346923594.db2.gz RSNJJKXHYDUYNH-UHFFFAOYSA-N 0 0 228.694 4.098 10 0 BIAERN CSc1cccc(N[C@@H]2CCC2(C)C)c1 ZINC000308827264 533027938 /nfs/dbraw/zinc/02/79/38/533027938.db2.gz SNHXVOYSXFHBNJ-GFCCVEGCSA-N 0 0 221.369 4.009 10 0 BIAERN CSc1cccc(N[C@H]2CCC2(C)C)c1 ZINC000308827266 533028705 /nfs/dbraw/zinc/02/87/05/533028705.db2.gz SNHXVOYSXFHBNJ-LBPRGKRZSA-N 0 0 221.369 4.009 10 0 BIAERN CCc1cc(C(=O)C(C)(C)C)ccc1Cl ZINC000308828578 346923510 /nfs/dbraw/zinc/92/35/10/346923510.db2.gz SEXJVCGYCJRREU-UHFFFAOYSA-N 0 0 224.731 4.131 10 0 BIAERN O=C(c1cc(Cl)cc(F)c1Cl)C1CCC1 ZINC000308833553 342873971 /nfs/dbraw/zinc/87/39/71/342873971.db2.gz VEANQFUVSSITDZ-UHFFFAOYSA-N 0 0 247.096 4.115 10 0 BIAERN CCC(C)(C)C(=O)c1cccc(F)c1Cl ZINC000308834220 342873975 /nfs/dbraw/zinc/87/39/75/342873975.db2.gz VPGUQXIWECHCSQ-UHFFFAOYSA-N 0 0 228.694 4.098 10 0 BIAERN CC(C)(C)C(=O)c1cc(Cl)cc(F)c1Cl ZINC000308840184 342873950 /nfs/dbraw/zinc/87/39/50/342873950.db2.gz YITOBVBMLMBDGW-UHFFFAOYSA-N 0 0 249.112 4.361 10 0 BIAERN CC[C@@H](C)c1cc2ccccc2nc1Cl ZINC000308886007 349024661 /nfs/dbraw/zinc/02/46/61/349024661.db2.gz GCMAFGMAZMIURQ-SECBINFHSA-N 0 0 219.715 4.402 10 0 BIAERN CC[C@H](C)c1cc2ccccc2nc1Cl ZINC000308886009 349024537 /nfs/dbraw/zinc/02/45/37/349024537.db2.gz GCMAFGMAZMIURQ-VIFPVBQESA-N 0 0 219.715 4.402 10 0 BIAERN CCCC[C@H](NO)c1c(Cl)cccc1Cl ZINC000308912700 346940135 /nfs/dbraw/zinc/94/01/35/346940135.db2.gz XECHCSCDWNTMOI-JTQLQIEISA-N 0 0 248.153 4.204 10 0 BIAERN CCCC[C@@H](NO)c1c(Cl)cccc1Cl ZINC000308912703 342876191 /nfs/dbraw/zinc/87/61/91/342876191.db2.gz XECHCSCDWNTMOI-SNVBAGLBSA-N 0 0 248.153 4.204 10 0 BIAERN CCCC[C@@H](NO)c1cccc(Cl)c1Cl ZINC000308981255 342878556 /nfs/dbraw/zinc/87/85/56/342878556.db2.gz SGVBMBSZLDBQDX-SNVBAGLBSA-N 0 0 248.153 4.204 10 0 BIAERN CCCC[C@@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000308988550 342878878 /nfs/dbraw/zinc/87/88/78/342878878.db2.gz VIFWWZXWCXBGCY-LLVKDONJSA-N 0 0 248.153 4.204 10 0 BIAERN CCCC[C@H](NO)c1ccc(Cl)c(Cl)c1 ZINC000308988555 342878953 /nfs/dbraw/zinc/87/89/53/342878953.db2.gz VIFWWZXWCXBGCY-NSHDSACASA-N 0 0 248.153 4.204 10 0 BIAERN CC[C@@H](C)C(=O)c1cc2c(cccc2Cl)o1 ZINC000309157196 538110585 /nfs/dbraw/zinc/11/05/85/538110585.db2.gz BIBUVMKXAUJVGN-MRVPVSSYSA-N 0 0 236.698 4.315 10 0 BIAERN CC[C@H](C)C(=O)c1cc2c(cccc2Cl)o1 ZINC000309157197 538110531 /nfs/dbraw/zinc/11/05/31/538110531.db2.gz BIBUVMKXAUJVGN-QMMMGPOBSA-N 0 0 236.698 4.315 10 0 BIAERN C[C@@H](O)c1ccc2sc3ccccc3c2c1 ZINC000309158995 350108885 /nfs/dbraw/zinc/10/88/85/350108885.db2.gz XXXMAUFXVRLPQJ-SECBINFHSA-N 0 0 228.316 4.108 10 0 BIAERN C[C@H](O)c1ccc2sc3ccccc3c2c1 ZINC000309158997 350108856 /nfs/dbraw/zinc/10/88/56/350108856.db2.gz XXXMAUFXVRLPQJ-VIFPVBQESA-N 0 0 228.316 4.108 10 0 BIAERN C[C@@H]1C[C@H](CC(C)(C)C)c2cccc(N)c21 ZINC000309184141 350159414 /nfs/dbraw/zinc/15/94/14/350159414.db2.gz HNXNVNSKZAWHEB-GHMZBOCLSA-N 0 0 217.356 4.296 10 0 BIAERN CCC[C@@H](C)C(=O)c1ccccc1C(C)C ZINC000309186801 342904423 /nfs/dbraw/zinc/90/44/23/342904423.db2.gz AFROYXOOPHPFTH-GFCCVEGCSA-N 0 0 218.340 4.429 10 0 BIAERN CCC[C@H](C)C(=O)c1ccccc1C(C)C ZINC000309186802 342904252 /nfs/dbraw/zinc/90/42/52/342904252.db2.gz AFROYXOOPHPFTH-LBPRGKRZSA-N 0 0 218.340 4.429 10 0 BIAERN FC(F)(F)Oc1cccc2ccc(Cl)cc21 ZINC000309193419 342907335 /nfs/dbraw/zinc/90/73/35/342907335.db2.gz KBRALMFAQBIYQT-UHFFFAOYSA-N 0 0 246.615 4.392 10 0 BIAERN CC(C)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000309220988 342915301 /nfs/dbraw/zinc/91/53/01/342915301.db2.gz PCTJRWUWWBNKKJ-UHFFFAOYSA-N 0 0 248.269 4.137 10 0 BIAERN FC(F)(F)Oc1cccc2cccc(Cl)c21 ZINC000309224451 346995742 /nfs/dbraw/zinc/99/57/42/346995742.db2.gz ZTURMDQHIQLRSL-UHFFFAOYSA-N 0 0 246.615 4.392 10 0 BIAERN Cc1ccc(OC(F)(F)F)c2ccccc12 ZINC000309225351 344234413 /nfs/dbraw/zinc/23/44/13/344234413.db2.gz BHUBRZUABDPHDX-UHFFFAOYSA-N 0 0 226.197 4.047 10 0 BIAERN CC(C)c1ccccc1C(=O)CC(C)(C)C ZINC000309315040 343220968 /nfs/dbraw/zinc/22/09/68/343220968.db2.gz NMLQINNVAYMUQH-UHFFFAOYSA-N 0 0 218.340 4.429 10 0 BIAERN Cc1ccn2cc(C3CCCCC3)cc2c1 ZINC000309316431 343221267 /nfs/dbraw/zinc/22/12/67/343221267.db2.gz KQPPICAICLBZMB-UHFFFAOYSA-N 0 0 213.324 4.295 10 0 BIAERN CCC(C)(C)C(=O)c1ccccc1C(C)C ZINC000309319310 343221391 /nfs/dbraw/zinc/22/13/91/343221391.db2.gz OTIWRRHAIGTIFE-UHFFFAOYSA-N 0 0 218.340 4.429 10 0 BIAERN Cc1ccc2c(cccc2OC(F)(F)F)c1 ZINC000309324553 343273343 /nfs/dbraw/zinc/27/33/43/343273343.db2.gz PQTOXHMWERPWHH-UHFFFAOYSA-N 0 0 226.197 4.047 10 0 BIAERN Cc1cc2ccccc2c(OC(F)(F)F)c1 ZINC000309326259 343271265 /nfs/dbraw/zinc/27/12/65/343271265.db2.gz RMQPCQHTALPRQT-UHFFFAOYSA-N 0 0 226.197 4.047 10 0 BIAERN FC(F)(F)Oc1cc2ccccc2cc1Cl ZINC000309333731 347036919 /nfs/dbraw/zinc/03/69/19/347036919.db2.gz YGBNAJZNAHKOSC-UHFFFAOYSA-N 0 0 246.615 4.392 10 0 BIAERN CC(C)c1ccccc1C(=O)C1CCCC1 ZINC000309335836 343294032 /nfs/dbraw/zinc/29/40/32/343294032.db2.gz VFXCEXBHOVFIOF-UHFFFAOYSA-N 0 0 216.324 4.183 10 0 BIAERN Cc1cccc2c(OC(F)(F)F)cccc12 ZINC000309337211 343293987 /nfs/dbraw/zinc/29/39/87/343293987.db2.gz BLNMAOXGAGERAW-UHFFFAOYSA-N 0 0 226.197 4.047 10 0 BIAERN Cc1cccc2cc(OC(F)(F)F)ccc12 ZINC000309339067 343292381 /nfs/dbraw/zinc/29/23/81/343292381.db2.gz DEMGEQFCCOAJPN-UHFFFAOYSA-N 0 0 226.197 4.047 10 0 BIAERN CCCCCCc1ccsc1C(=O)OCC ZINC000309342369 538111422 /nfs/dbraw/zinc/11/14/22/538111422.db2.gz GXYFJSOSCGTRAJ-UHFFFAOYSA-N 0 0 240.368 4.048 10 0 BIAERN Cc1cccc2ccc(OC(F)(F)F)cc12 ZINC000309352161 343324396 /nfs/dbraw/zinc/32/43/96/343324396.db2.gz PYRPQJAEXONDNF-UHFFFAOYSA-N 0 0 226.197 4.047 10 0 BIAERN Cc1c(OC(F)(F)F)ccc2ccccc12 ZINC000309368831 343333223 /nfs/dbraw/zinc/33/32/23/343333223.db2.gz CMIBLCNLXCFNNI-UHFFFAOYSA-N 0 0 226.197 4.047 10 0 BIAERN CCCC[C@@H](NO)c1ccc(C(C)C)cc1 ZINC000309511704 343662231 /nfs/dbraw/zinc/66/22/31/343662231.db2.gz QGGAOZIWOPCHIW-CQSZACIVSA-N 0 0 221.344 4.020 10 0 BIAERN FC(F)(F)Oc1ccc2ccccc2c1Cl ZINC000309546711 343724079 /nfs/dbraw/zinc/72/40/79/343724079.db2.gz JHGUQLCIPRZBLX-UHFFFAOYSA-N 0 0 246.615 4.392 10 0 BIAERN FC(F)(F)Oc1ccc(Cl)c2ccccc12 ZINC000309547172 343723984 /nfs/dbraw/zinc/72/39/84/343723984.db2.gz JMCSEJFUWYSCME-UHFFFAOYSA-N 0 0 246.615 4.392 10 0 BIAERN FC(F)(F)Oc1ccc2ccc(Cl)cc2c1 ZINC000309547913 343724162 /nfs/dbraw/zinc/72/41/62/343724162.db2.gz JVNFTTHTHWKYSF-UHFFFAOYSA-N 0 0 246.615 4.392 10 0 BIAERN FC(F)(F)Oc1ccc2cccc(Cl)c2c1 ZINC000309550716 343724236 /nfs/dbraw/zinc/72/42/36/343724236.db2.gz LCLJSNMFKCSHCP-UHFFFAOYSA-N 0 0 246.615 4.392 10 0 BIAERN CSCc1ccc(N[C@@H]2CCC2(C)C)cc1 ZINC000309926905 388468528 /nfs/dbraw/zinc/46/85/28/388468528.db2.gz VTHNTSDJUTVNKX-CYBMUJFWSA-N 0 0 235.396 4.150 10 0 BIAERN CSCc1ccc(N[C@H]2CCC2(C)C)cc1 ZINC000309926906 259325338 /nfs/dbraw/zinc/32/53/38/259325338.db2.gz VTHNTSDJUTVNKX-ZDUSSCGKSA-N 0 0 235.396 4.150 10 0 BIAERN CC[C@H](Nc1ccnc2ccsc21)C(C)C ZINC000310038427 529679869 /nfs/dbraw/zinc/67/98/69/529679869.db2.gz WBSLQEDTHXKILR-JTQLQIEISA-N 0 0 234.368 4.143 10 0 BIAERN CC[C@@H](Nc1ccnc2ccsc21)C(C)C ZINC000310038428 529212064 /nfs/dbraw/zinc/21/20/64/529212064.db2.gz WBSLQEDTHXKILR-SNVBAGLBSA-N 0 0 234.368 4.143 10 0 BIAERN Cc1cc(C[NH2+][C@H](C)c2ccccc2C)cs1 ZINC000310080166 384631569 /nfs/dbraw/zinc/63/15/69/384631569.db2.gz IRUIMPKTUICJTD-CYBMUJFWSA-N 0 0 245.391 4.216 10 0 BIAERN Cc1cc(C[NH2+][C@@H](C)c2ccccc2C)cs1 ZINC000310080167 384632370 /nfs/dbraw/zinc/63/23/70/384632370.db2.gz IRUIMPKTUICJTD-ZDUSSCGKSA-N 0 0 245.391 4.216 10 0 BIAERN Cc1cc(C[NH2+][C@H](C)c2cccc(C)c2)cs1 ZINC000310240360 388478909 /nfs/dbraw/zinc/47/89/09/388478909.db2.gz BKSXUKSFTHRLJM-CYBMUJFWSA-N 0 0 245.391 4.216 10 0 BIAERN CC(C)c1ccccc1C(=O)Cc1cccs1 ZINC000310468541 344747139 /nfs/dbraw/zinc/74/71/39/344747139.db2.gz YEEKSNLPKXYSJB-UHFFFAOYSA-N 0 0 244.359 4.297 10 0 BIAERN CC(C)Oc1ccccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000310870554 353138428 /nfs/dbraw/zinc/13/84/28/353138428.db2.gz QYFCNACIRLFPSF-BFHYXJOUSA-N 0 0 245.366 4.074 10 0 BIAERN C[C@@H](Nc1cccc(C(F)F)c1)[C@@H]1C[C@H]1C ZINC000321971100 387343300 /nfs/dbraw/zinc/34/33/00/387343300.db2.gz ZZYZXJNXQPCLNN-KBVBSXBZSA-N 0 0 225.282 4.081 10 0 BIAERN C[C@@H](Nc1cccc(C(F)F)c1)[C@H]1C[C@H]1C ZINC000321971102 387343331 /nfs/dbraw/zinc/34/33/31/387343331.db2.gz ZZYZXJNXQPCLNN-LNLATYFQSA-N 0 0 225.282 4.081 10 0 BIAERN C[C@H](Nc1cccc(C(F)F)c1)[C@H]1C[C@H]1C ZINC000321971104 387343076 /nfs/dbraw/zinc/34/30/76/387343076.db2.gz ZZYZXJNXQPCLNN-PTRXPTGYSA-N 0 0 225.282 4.081 10 0 BIAERN C[C@H](Nc1cccc(C(F)F)c1)[C@@H]1C[C@H]1C ZINC000321971105 387342317 /nfs/dbraw/zinc/34/23/17/387342317.db2.gz ZZYZXJNXQPCLNN-VDDIYKPWSA-N 0 0 225.282 4.081 10 0 BIAERN CSCc1ccc(-c2ccccc2C=O)cc1 ZINC000327474632 632083297 /nfs/dbraw/zinc/08/32/97/632083297.db2.gz KNCFNVBQDSMZDO-UHFFFAOYSA-N 0 0 242.343 4.029 10 0 BIAERN CSCc1cccc(-c2ccccc2C=O)c1 ZINC000327835706 633127803 /nfs/dbraw/zinc/12/78/03/633127803.db2.gz CJVUEYPRHPUGIA-UHFFFAOYSA-N 0 0 242.343 4.029 10 0 BIAERN CC/C=C\CCSCc1nccn1C(C)C ZINC000342764199 365559800 /nfs/dbraw/zinc/55/98/00/365559800.db2.gz JIVAERTXNWYALC-WAYWQWQTSA-N 0 0 238.400 4.054 10 0 BIAERN Cc1cscc1NCc1cccc2cc[nH]c21 ZINC000344835138 388510039 /nfs/dbraw/zinc/51/00/39/388510039.db2.gz IJOPUYYCUSSNMB-UHFFFAOYSA-N 0 0 242.347 4.150 10 0 BIAERN Cl/C=C\Cn1ccc2c1cccc2Cl ZINC000379437931 372999864 /nfs/dbraw/zinc/99/98/64/372999864.db2.gz JWENYRXYESMPGP-KXFIGUGUSA-N 0 0 226.106 4.047 10 0 BIAERN C/C(=C\Cl)COc1cc(C)ccc1Cl ZINC000379583342 361107735 /nfs/dbraw/zinc/10/77/35/361107735.db2.gz MYYGSOZLJIPSDN-RMKNXTFCSA-N 0 0 231.122 4.170 10 0 BIAERN CC(C)=CC(=O)c1cc(Cl)cc(F)c1Cl ZINC000379841972 373066753 /nfs/dbraw/zinc/06/67/53/373066753.db2.gz DENQRXIEBTYVNT-UHFFFAOYSA-N 0 0 247.096 4.281 10 0 BIAERN CCC(C)(C)C(=O)c1cccc(C)c1Cl ZINC000379875120 343645368 /nfs/dbraw/zinc/64/53/68/343645368.db2.gz SHFHNQUMWUGIDQ-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN CC[C@@H](C)C(=O)c1ccccc1C(C)C ZINC000379890774 351247436 /nfs/dbraw/zinc/24/74/36/351247436.db2.gz ADPKKEPNPRLUIQ-LLVKDONJSA-N 0 0 204.313 4.039 10 0 BIAERN CC[C@H](C)C(=O)c1ccccc1C(C)C ZINC000379890777 351247828 /nfs/dbraw/zinc/24/78/28/351247828.db2.gz ADPKKEPNPRLUIQ-NSHDSACASA-N 0 0 204.313 4.039 10 0 BIAERN CCC(C)(C)C(=O)c1c(C)cccc1Cl ZINC000379905530 373087026 /nfs/dbraw/zinc/08/70/26/373087026.db2.gz 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/nfs/dbraw/zinc/48/10/40/361481040.db2.gz PGYYPHRBZAJVNP-NSCUHMNNSA-N 0 0 248.631 4.118 10 0 BIAERN C/C=C\C(=O)c1ccc(CCCCC)cc1 ZINC000381635767 361505080 /nfs/dbraw/zinc/50/50/80/361505080.db2.gz ODYLTZJAOAWMDG-DAXSKMNVSA-N 0 0 216.324 4.178 10 0 BIAERN C/C=C/C(=O)c1ccc(CCCCC)cc1 ZINC000381635770 361505410 /nfs/dbraw/zinc/50/54/10/361505410.db2.gz ODYLTZJAOAWMDG-QPJJXVBHSA-N 0 0 216.324 4.178 10 0 BIAERN FCC[C@@H]1CCC[C@@H]1Nc1ccc(Cl)cc1 ZINC000381820038 367461040 /nfs/dbraw/zinc/46/10/40/367461040.db2.gz KOUFFASHCSRAFJ-GWCFXTLKSA-N 0 0 241.737 4.280 10 0 BIAERN FCC[C@@H]1CCC[C@H]1Nc1ccc(Cl)cc1 ZINC000381820039 367460888 /nfs/dbraw/zinc/46/08/88/367460888.db2.gz KOUFFASHCSRAFJ-GXFFZTMASA-N 0 0 241.737 4.280 10 0 BIAERN FCC[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1 ZINC000381820040 367460961 /nfs/dbraw/zinc/46/09/61/367460961.db2.gz KOUFFASHCSRAFJ-MFKMUULPSA-N 0 0 241.737 4.280 10 0 BIAERN FCC[C@H]1CCC[C@H]1Nc1ccc(Cl)cc1 ZINC000381820041 367461193 /nfs/dbraw/zinc/46/11/93/367461193.db2.gz KOUFFASHCSRAFJ-ZWNOBZJWSA-N 0 0 241.737 4.280 10 0 BIAERN CCC(CC)C(=O)c1ccccc1C(C)C ZINC000382576067 374252717 /nfs/dbraw/zinc/25/27/17/374252717.db2.gz VTTJPXVTVZZKNJ-UHFFFAOYSA-N 0 0 218.340 4.429 10 0 BIAERN CC(C)(C)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000382640443 361966132 /nfs/dbraw/zinc/96/61/32/361966132.db2.gz NCEJGXODWVIILJ-UHFFFAOYSA-N 0 0 248.219 4.073 10 0 BIAERN CC(C)CC(=O)c1ccc(F)cc1C(F)(F)F ZINC000382641321 361967200 /nfs/dbraw/zinc/96/72/00/361967200.db2.gz OLMQZNIZKRRKDI-UHFFFAOYSA-N 0 0 248.219 4.073 10 0 BIAERN CCCCC(=O)c1ccc(F)cc1C(F)(F)F ZINC000382646353 361969876 /nfs/dbraw/zinc/96/98/76/361969876.db2.gz YRRNMHUYPCNMKE-UHFFFAOYSA-N 0 0 248.219 4.217 10 0 BIAERN CC(C)=CC(=O)c1cccc(C(C)(C)C)c1 ZINC000382672468 361973252 /nfs/dbraw/zinc/97/32/52/361973252.db2.gz ATSQVNBWEMVZGU-UHFFFAOYSA-N 0 0 216.324 4.133 10 0 BIAERN CC(C)(C)CC(=O)c1cc(F)c(Cl)c(F)c1 ZINC000382672816 361973473 /nfs/dbraw/zinc/97/34/73/361973473.db2.gz CTLJJLQENNOEQH-UHFFFAOYSA-N 0 0 246.684 4.237 10 0 BIAERN CCC(C)(C)C(=O)c1cc(F)c(Cl)c(F)c1 ZINC000382672983 361973060 /nfs/dbraw/zinc/97/30/60/361973060.db2.gz DQVTWKYKLROUNP-UHFFFAOYSA-N 0 0 246.684 4.237 10 0 BIAERN CCC(CC)C(=O)c1cc(F)c(Cl)c(F)c1 ZINC000382674005 361974393 /nfs/dbraw/zinc/97/43/93/361974393.db2.gz IPXVMQMNIQGJMB-UHFFFAOYSA-N 0 0 246.684 4.237 10 0 BIAERN CCC[C@@H](C)C(=O)c1cccc(C(C)C)c1 ZINC000382675213 361974343 /nfs/dbraw/zinc/97/43/43/361974343.db2.gz NIGMARJPEXQJRL-GFCCVEGCSA-N 0 0 218.340 4.429 10 0 BIAERN CCC[C@H](C)C(=O)c1cccc(C(C)C)c1 ZINC000382675214 361974354 /nfs/dbraw/zinc/97/43/54/361974354.db2.gz NIGMARJPEXQJRL-LBPRGKRZSA-N 0 0 218.340 4.429 10 0 BIAERN CCCCc1ccc(C(=O)C=C(C)C)cc1 ZINC000382675356 361974350 /nfs/dbraw/zinc/97/43/50/361974350.db2.gz NVJAOMWKVYQODA-UHFFFAOYSA-N 0 0 216.324 4.178 10 0 BIAERN CCC[C@H](C)C(=O)c1cccc(SC)c1 ZINC000382675357 361973800 /nfs/dbraw/zinc/97/38/00/361973800.db2.gz NVSKVYFDLWYLGS-JTQLQIEISA-N 0 0 222.353 4.027 10 0 BIAERN CCC[C@@H](C)C(=O)c1cccc(SC)c1 ZINC000382675358 361974382 /nfs/dbraw/zinc/97/43/82/361974382.db2.gz NVSKVYFDLWYLGS-SNVBAGLBSA-N 0 0 222.353 4.027 10 0 BIAERN CC(C)c1cccc(C(=O)C2CCCC2)c1 ZINC000382675857 361974371 /nfs/dbraw/zinc/97/43/71/361974371.db2.gz PQOCLZFTVRFZTD-UHFFFAOYSA-N 0 0 216.324 4.183 10 0 BIAERN CC[C@@H](C)C(=O)c1cccc(C(C)C)c1 ZINC000382675954 361973830 /nfs/dbraw/zinc/97/38/30/361973830.db2.gz RATACTBVJXYSIM-LLVKDONJSA-N 0 0 204.313 4.039 10 0 BIAERN CC[C@H](C)C(=O)c1cccc(C(C)C)c1 ZINC000382675955 361973851 /nfs/dbraw/zinc/97/38/51/361973851.db2.gz RATACTBVJXYSIM-NSHDSACASA-N 0 0 204.313 4.039 10 0 BIAERN CCC(CC)C(=O)c1cccc(C(C)C)c1 ZINC000382676319 361974212 /nfs/dbraw/zinc/97/42/12/361974212.db2.gz SLPPBGCVELUCJF-UHFFFAOYSA-N 0 0 218.340 4.429 10 0 BIAERN CSc1cccc(C(=O)C2CCCCC2)c1 ZINC000382676653 361974018 /nfs/dbraw/zinc/97/40/18/361974018.db2.gz USNDMOOPDVKRLA-UHFFFAOYSA-N 0 0 234.364 4.172 10 0 BIAERN CC(C)=CC(=O)c1ccc(CC(C)C)cc1 ZINC000382676789 361974319 /nfs/dbraw/zinc/97/43/19/361974319.db2.gz 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CC[C@H](C)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000382714368 351027209 /nfs/dbraw/zinc/02/72/09/351027209.db2.gz JEQFITHMXGJFPI-ZETCQYMHSA-N 0 0 248.219 4.073 10 0 BIAERN CCc1cc(C(=O)C2CCCC2)ccc1Cl ZINC000382714824 351027449 /nfs/dbraw/zinc/02/74/49/351027449.db2.gz JKLDXPXNXTXURM-UHFFFAOYSA-N 0 0 236.742 4.275 10 0 BIAERN C=CC(=O)c1sc2ccc(Cl)cc2c1C ZINC000382716388 361976015 /nfs/dbraw/zinc/97/60/15/361976015.db2.gz KQFXAXGLVRZHJX-UHFFFAOYSA-N 0 0 236.723 4.232 10 0 BIAERN Cc1ccc(Cl)c(C(=O)C2CCCCC2)c1 ZINC000385476708 344833006 /nfs/dbraw/zinc/83/30/06/344833006.db2.gz ASUQVORROUNCCF-UHFFFAOYSA-N 0 0 236.742 4.411 10 0 BIAERN CC(C)c1ccccc1C(=O)Cc1ccccc1 ZINC000385676788 345023472 /nfs/dbraw/zinc/02/34/72/345023472.db2.gz FRZKYBRUJWKMEF-UHFFFAOYSA-N 0 0 238.330 4.235 10 0 BIAERN C=C(C)C(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000385737248 355664137 /nfs/dbraw/zinc/66/41/37/355664137.db2.gz ZGPFRIRUWVPSJS-UHFFFAOYSA-N 0 0 248.631 4.118 10 0 BIAERN FC(F)c1cccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000386145801 367920497 /nfs/dbraw/zinc/92/04/97/367920497.db2.gz HUBBJZFHYYHHCW-ZWKOPEQDSA-N 0 0 237.293 4.225 10 0 BIAERN Cc1cscc1NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000387318548 368150086 /nfs/dbraw/zinc/15/00/86/368150086.db2.gz MJOHYEGQXGETOG-BXKDBHETSA-N 0 0 247.363 4.385 10 0 BIAERN Cc1cscc1NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000387318558 368150592 /nfs/dbraw/zinc/15/05/92/368150592.db2.gz MJOHYEGQXGETOG-CABZTGNLSA-N 0 0 247.363 4.385 10 0 BIAERN Cc1cscc1NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000387318559 368150666 /nfs/dbraw/zinc/15/06/66/368150666.db2.gz MJOHYEGQXGETOG-JOYOIKCWSA-N 0 0 247.363 4.385 10 0 BIAERN Cc1cscc1NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000387318560 368150247 /nfs/dbraw/zinc/15/02/47/368150247.db2.gz MJOHYEGQXGETOG-SKDRFNHKSA-N 0 0 247.363 4.385 10 0 BIAERN CC(=O)CCSc1cc(Cl)cc(Cl)c1 ZINC000388688904 537987763 /nfs/dbraw/zinc/98/77/63/537987763.db2.gz JTAMNPPNGUGJMV-UHFFFAOYSA-N 0 0 249.162 4.065 10 0 BIAERN Cc1ccc2ccccc2c1OC(F)(F)F ZINC000390106924 345237007 /nfs/dbraw/zinc/23/70/07/345237007.db2.gz UAGYEFLDSFNBQS-UHFFFAOYSA-N 0 0 226.197 4.047 10 0 BIAERN Cc1cc(OC(F)(F)F)cc2ccccc12 ZINC000390110311 344902032 /nfs/dbraw/zinc/90/20/32/344902032.db2.gz WRWAPISLOYZWMZ-UHFFFAOYSA-N 0 0 226.197 4.047 10 0 BIAERN FC(F)(F)Oc1ccc2c(Cl)cccc2c1 ZINC000390114288 345243558 /nfs/dbraw/zinc/24/35/58/345243558.db2.gz ZDDBTSCZIOJJQP-UHFFFAOYSA-N 0 0 246.615 4.392 10 0 BIAERN C=C(C)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000390147324 345257157 /nfs/dbraw/zinc/25/71/57/345257157.db2.gz RQTIOJLEIZVNLQ-UHFFFAOYSA-N 0 0 248.631 4.118 10 0 BIAERN C/C=C\C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000390147555 345257370 /nfs/dbraw/zinc/25/73/70/345257370.db2.gz RTEICDFSXCIRMU-IHWYPQMZSA-N 0 0 248.631 4.118 10 0 BIAERN C/C=C/C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000390147556 345257225 /nfs/dbraw/zinc/25/72/25/345257225.db2.gz RTEICDFSXCIRMU-NSCUHMNNSA-N 0 0 248.631 4.118 10 0 BIAERN CCCCC(=O)c1cccc(C(C)(C)C)c1 ZINC000390231335 345303636 /nfs/dbraw/zinc/30/36/36/345303636.db2.gz DBZCNSSVRBUBSY-UHFFFAOYSA-N 0 0 218.340 4.357 10 0 BIAERN Clc1ccc2c(c1)C(c1ccccc1)=CC2 ZINC000390467246 356677566 /nfs/dbraw/zinc/67/75/66/356677566.db2.gz AVKPXBVJNIRRQK-UHFFFAOYSA-N 0 0 226.706 4.328 10 0 BIAERN OCCCCCCCCSc1ccccc1 ZINC000390491990 356769437 /nfs/dbraw/zinc/76/94/37/356769437.db2.gz PUDQBKSRGQCJAN-UHFFFAOYSA-N 0 0 238.396 4.112 10 0 BIAERN C/C=C\C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000390492746 346073741 /nfs/dbraw/zinc/07/37/41/346073741.db2.gz ASVFZSOINZSLQL-IHWYPQMZSA-N 0 0 248.631 4.118 10 0 BIAERN C/C=C/C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000390492748 346073649 /nfs/dbraw/zinc/07/36/49/346073649.db2.gz ASVFZSOINZSLQL-NSCUHMNNSA-N 0 0 248.631 4.118 10 0 BIAERN C=C(C)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000390507593 346085045 /nfs/dbraw/zinc/08/50/45/346085045.db2.gz XLAJEXHKOKKQMY-UHFFFAOYSA-N 0 0 248.631 4.118 10 0 BIAERN Cc1cscc1NC[C@@H](C)c1ccccc1 ZINC000390588655 259394783 /nfs/dbraw/zinc/39/47/83/259394783.db2.gz YTWHEAYQIOIHLY-LLVKDONJSA-N 0 0 231.364 4.272 10 0 BIAERN Cc1cscc1NC[C@H](C)c1ccccc1 ZINC000390588656 259394341 /nfs/dbraw/zinc/39/43/41/259394341.db2.gz YTWHEAYQIOIHLY-NSHDSACASA-N 0 0 231.364 4.272 10 0 BIAERN CSCc1cccc(N[C@@H]2CCC2(C)C)c1 ZINC000390652122 357109446 /nfs/dbraw/zinc/10/94/46/357109446.db2.gz PNGWKDABRNVOKU-CYBMUJFWSA-N 0 0 235.396 4.150 10 0 BIAERN CSCc1cccc(N[C@H]2CCC2(C)C)c1 ZINC000390652123 357109260 /nfs/dbraw/zinc/10/92/60/357109260.db2.gz PNGWKDABRNVOKU-ZDUSSCGKSA-N 0 0 235.396 4.150 10 0 BIAERN Cc1ccccc1N[C@H]1CCC12CCCC2 ZINC000390654063 259396980 /nfs/dbraw/zinc/39/69/80/259396980.db2.gz QBYNCPGJKUWLSX-AWEZNQCLSA-N 0 0 215.340 4.130 10 0 BIAERN Cc1ccccc1N[C@@H]1CCC12CCCC2 ZINC000390654064 259396649 /nfs/dbraw/zinc/39/66/49/259396649.db2.gz QBYNCPGJKUWLSX-CQSZACIVSA-N 0 0 215.340 4.130 10 0 BIAERN FCC[C@@H]1CCC[C@@H]1Nc1cccc(Cl)c1 ZINC000390819472 385922695 /nfs/dbraw/zinc/92/26/95/385922695.db2.gz TZELGAMNSLDFAC-GWCFXTLKSA-N 0 0 241.737 4.280 10 0 BIAERN FCC[C@@H]1CCC[C@H]1Nc1cccc(Cl)c1 ZINC000390819473 259415780 /nfs/dbraw/zinc/41/57/80/259415780.db2.gz TZELGAMNSLDFAC-GXFFZTMASA-N 0 0 241.737 4.280 10 0 BIAERN FCC[C@H]1CCC[C@@H]1Nc1cccc(Cl)c1 ZINC000390819474 259415644 /nfs/dbraw/zinc/41/56/44/259415644.db2.gz TZELGAMNSLDFAC-MFKMUULPSA-N 0 0 241.737 4.280 10 0 BIAERN FCC[C@H]1CCC[C@H]1Nc1cccc(Cl)c1 ZINC000390819475 385922659 /nfs/dbraw/zinc/92/26/59/385922659.db2.gz TZELGAMNSLDFAC-ZWNOBZJWSA-N 0 0 241.737 4.280 10 0 BIAERN C/C=C\CNc1cc(Cl)c(C)cc1Cl ZINC000393675922 353003358 /nfs/dbraw/zinc/00/33/58/353003358.db2.gz XBHHEAGCEVQLRZ-ARJAWSKDSA-N 0 0 230.138 4.290 10 0 BIAERN FC(F)(F)Oc1cccc2cc(Cl)ccc21 ZINC000393820748 343982875 /nfs/dbraw/zinc/98/28/75/343982875.db2.gz VOPUGMQDXMMPOH-UHFFFAOYSA-N 0 0 246.615 4.392 10 0 BIAERN Fc1nc(-c2ccc3ccccc3c2)cs1 ZINC000393844164 343991810 /nfs/dbraw/zinc/99/18/10/343991810.db2.gz XQYUJBHKFQXPMU-UHFFFAOYSA-N 0 0 229.279 4.102 10 0 BIAERN CSc1cccc(C(=O)CC(C)(C)C)c1 ZINC000394501353 384213193 /nfs/dbraw/zinc/21/31/93/384213193.db2.gz AZSKLGPFCFPVCV-UHFFFAOYSA-N 0 0 222.353 4.027 10 0 BIAERN CCC(C)(C)C(=O)c1ccc(Cl)cc1C ZINC000394542501 342805620 /nfs/dbraw/zinc/80/56/20/342805620.db2.gz URPXUOWJMNYPIN-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN CCC(C)(C)C(=O)c1cc(Cl)ccc1C ZINC000394597928 342807896 /nfs/dbraw/zinc/80/78/96/342807896.db2.gz DPRNHKTYJRESIA-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN CCC(C)(C)C(=O)c1cccc(Cl)c1C ZINC000394615300 342808574 /nfs/dbraw/zinc/80/85/74/342808574.db2.gz KJDPTZDVIQKDEB-UHFFFAOYSA-N 0 0 224.731 4.267 10 0 BIAERN CC[C@@H](C)C(=O)c1cccc(C(C)(C)C)c1 ZINC000394657770 342812301 /nfs/dbraw/zinc/81/23/01/342812301.db2.gz ZVPDVHRLBUTCKP-LLVKDONJSA-N 0 0 218.340 4.213 10 0 BIAERN CC[C@H](C)C(=O)c1cccc(C(C)(C)C)c1 ZINC000394657771 342812237 /nfs/dbraw/zinc/81/22/37/342812237.db2.gz ZVPDVHRLBUTCKP-NSHDSACASA-N 0 0 218.340 4.213 10 0 BIAERN CCc1cc(C(=O)[C@H](C)CC)ccc1Cl ZINC000394690506 342814340 /nfs/dbraw/zinc/81/43/40/342814340.db2.gz NNKFPYPXUFKSQQ-SECBINFHSA-N 0 0 224.731 4.131 10 0 BIAERN CCc1cc(C(=O)[C@@H](C)CC)ccc1Cl ZINC000394690507 342814347 /nfs/dbraw/zinc/81/43/47/342814347.db2.gz NNKFPYPXUFKSQQ-VIFPVBQESA-N 0 0 224.731 4.131 10 0 BIAERN CCC(CC)COc1ccc(Cl)cc1C ZINC000400925685 345913592 /nfs/dbraw/zinc/91/35/92/345913592.db2.gz URTGQDOYZOKKIS-UHFFFAOYSA-N 0 0 226.747 4.463 10 0 BIAERN ClC(Cl)=CCNc1ccccc1Cl ZINC000403351376 358731827 /nfs/dbraw/zinc/73/18/27/358731827.db2.gz KZZUYMOJIUSEIN-UHFFFAOYSA-N 0 0 236.529 4.071 10 0 BIAERN ClC(Cl)=CCNc1ccsc1Cl ZINC000403357067 358733592 /nfs/dbraw/zinc/73/35/92/358733592.db2.gz MCUMGVJPBSKNBD-UHFFFAOYSA-N 0 0 242.558 4.132 10 0 BIAERN ClC(Cl)=CCNc1ccc(Cl)cc1 ZINC000403385008 358944168 /nfs/dbraw/zinc/94/41/68/358944168.db2.gz QYMIXKWPDWONHU-UHFFFAOYSA-N 0 0 236.529 4.071 10 0 BIAERN ClC(Cl)=CCNc1cccc(Cl)c1 ZINC000403425560 358996756 /nfs/dbraw/zinc/99/67/56/358996756.db2.gz YASLXVSYUFVEGS-UHFFFAOYSA-N 0 0 236.529 4.071 10 0 BIAERN FCCNc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404189022 342862317 /nfs/dbraw/zinc/86/23/17/342862317.db2.gz DIFSHIWCHMSVDU-UHFFFAOYSA-N 0 0 242.508 4.028 10 0 BIAERN CCNc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404251032 351290054 /nfs/dbraw/zinc/29/00/54/351290054.db2.gz ABDAAIDMFKDXHP-UHFFFAOYSA-N 0 0 224.518 4.079 10 0 BIAERN CCCNc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404353329 351399913 /nfs/dbraw/zinc/39/99/13/351399913.db2.gz FYPLGHQFMISHCV-UHFFFAOYSA-N 0 0 238.545 4.469 10 0 BIAERN Clc1cc(NC2CC2)cc(Cl)c1Cl ZINC000404388777 351416429 /nfs/dbraw/zinc/41/64/29/351416429.db2.gz WJZZORRYRWEVOM-UHFFFAOYSA-N 0 0 236.529 4.221 10 0 BIAERN CC(C)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404393769 351421007 /nfs/dbraw/zinc/42/10/07/351421007.db2.gz ZTKKTROFVPHDKL-UHFFFAOYSA-N 0 0 238.545 4.467 10 0 BIAERN CC(C)Oc1ccccc1N[C@H]1CCC[C@H]2C[C@H]21 ZINC000408510510 343759897 /nfs/dbraw/zinc/75/98/97/343759897.db2.gz QYFCNACIRLFPSF-MJBXVCDLSA-N 0 0 245.366 4.074 10 0 BIAERN CC(C)=C[C@@](C)(O)C1(Sc2ccccc2)CC1 ZINC000504041868 527455946 /nfs/dbraw/zinc/45/59/46/527455946.db2.gz GFXPTCSQXATLMX-CQSZACIVSA-N 0 0 248.391 4.029 10 0 BIAERN Oc1ccc2c(c1)Sc1cc(Cl)ccc1N2 ZINC000504625231 534453741 /nfs/dbraw/zinc/45/37/41/534453741.db2.gz XYVIDWXYLWNTJA-UHFFFAOYSA-N 0 0 249.722 4.254 10 0 BIAERN CC(C)c1ccccc1N[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000517282184 385102482 /nfs/dbraw/zinc/10/24/82/385102482.db2.gz QXDCTAHIRDFLEC-WDNDVIMCSA-N 0 0 247.382 4.178 10 0 BIAERN Cc1ccoc1-c1cccc(OC(F)(F)F)c1 ZINC000521400372 386448100 /nfs/dbraw/zinc/44/81/00/386448100.db2.gz KAIQGSDXHYRRJW-UHFFFAOYSA-N 0 0 242.196 4.154 10 0 BIAERN FC(F)(F)c1cc(Cl)nc2c1CCCCC2 ZINC000521401044 386449575 /nfs/dbraw/zinc/44/95/75/386449575.db2.gz WAXKKBWXBNKGTJ-UHFFFAOYSA-N 0 0 249.663 4.023 10 0 BIAERN Cc1cc(CNc2ccccc2C(C)C)ccn1 ZINC000527672787 387656378 /nfs/dbraw/zinc/65/63/78/387656378.db2.gz ATGVPQOLYWRYSB-UHFFFAOYSA-N 0 0 240.350 4.126 10 0 BIAERN CC(C)C1CCC(c2ccccc2N)CC1 ZINC000536949642 387160638 /nfs/dbraw/zinc/16/06/38/387160638.db2.gz FXWXZXNEUZTKRV-UHFFFAOYSA-N 0 0 217.356 4.199 10 0 BIAERN FC1(F)CCCC[C@@H]1C1CCCCC1 ZINC000536951421 323956470 /nfs/dbraw/zinc/95/64/70/323956470.db2.gz VMCJMKSXBXGEGB-LLVKDONJSA-N 0 0 202.288 4.392 10 0 BIAERN FC1(F)CCCC[C@H]1C1CCCCC1 ZINC000536951515 323956667 /nfs/dbraw/zinc/95/66/67/323956667.db2.gz VMCJMKSXBXGEGB-NSHDSACASA-N 0 0 202.288 4.392 10 0 BIAERN FC(F)c1ncc(C2CCCCC2)s1 ZINC000536952351 388113502 /nfs/dbraw/zinc/11/35/02/388113502.db2.gz BCRWCECGCKYMAF-UHFFFAOYSA-N 0 0 217.284 4.128 10 0 BIAERN CCCc1c(CC)nc2ccc(F)cc2c1CC ZINC000536952613 323958829 /nfs/dbraw/zinc/95/88/29/323958829.db2.gz DMHOTYWCKYPCBM-UHFFFAOYSA-N 0 0 245.341 4.451 10 0 BIAERN CCc1c(C)nc2cc(Cl)ccc2c1CC ZINC000536953348 323960540 /nfs/dbraw/zinc/96/05/40/323960540.db2.gz LGTBHANDDBTUBY-UHFFFAOYSA-N 0 0 233.742 4.321 10 0 BIAERN C[C@@H]1CC(C)(C)C[C@@]2(C1)CC[C@@H]1C[C@@H]1CO2 ZINC000536953411 323960510 /nfs/dbraw/zinc/96/05/10/323960510.db2.gz HBZVKOYFKQMFFG-BHPKHCPMSA-N 0 0 222.372 4.018 10 0 BIAERN C[C@@H]1CC(C)(C)C[C@@]2(C1)CC[C@H]1C[C@@H]1CO2 ZINC000536953412 323960500 /nfs/dbraw/zinc/96/05/00/323960500.db2.gz HBZVKOYFKQMFFG-COMQUAJESA-N 0 0 222.372 4.018 10 0 BIAERN C[C@@H]1CC(C)(C)C[C@@]2(C1)CC[C@@H]1C[C@H]1CO2 ZINC000536953415 323960645 /nfs/dbraw/zinc/96/06/45/323960645.db2.gz HBZVKOYFKQMFFG-CXTNEJHOSA-N 0 0 222.372 4.018 10 0 BIAERN C[C@@H]1CC(C)(C)C[C@@]2(C1)CC[C@H]1C[C@H]1CO2 ZINC000536953418 387166535 /nfs/dbraw/zinc/16/65/35/387166535.db2.gz HBZVKOYFKQMFFG-OSFYFWSMSA-N 0 0 222.372 4.018 10 0 BIAERN CC(C)(C)C1CCC2(CC1)CCC=CCO2 ZINC000536953529 323961403 /nfs/dbraw/zinc/96/14/03/323961403.db2.gz HOKOEAVZXYDQPN-UHFFFAOYSA-N 0 0 222.372 4.328 10 0 BIAERN CC(C)C1CCC2(CC1)CC[C@@H]1C[C@H]1CO2 ZINC000536953591 387166711 /nfs/dbraw/zinc/16/67/11/387166711.db2.gz HRJAKCLSVIEXOK-FUUBYGMNSA-N 0 0 222.372 4.018 10 0 BIAERN CC(C)C1CCC2(CC1)CC[C@H]1C[C@H]1CO2 ZINC000536953603 323961299 /nfs/dbraw/zinc/96/12/99/323961299.db2.gz HRJAKCLSVIEXOK-GQKFXUNGSA-N 0 0 222.372 4.018 10 0 BIAERN CC(C)C1CCC2(CC1)CC[C@@H]1C[C@@H]1CO2 ZINC000536953605 387166588 /nfs/dbraw/zinc/16/65/88/387166588.db2.gz HRJAKCLSVIEXOK-PIOWNMBXSA-N 0 0 222.372 4.018 10 0 BIAERN CC(C)C1CCC2(CC1)CC[C@H]1C[C@@H]1CO2 ZINC000536953606 323961195 /nfs/dbraw/zinc/96/11/95/323961195.db2.gz HRJAKCLSVIEXOK-RAFNIBEQSA-N 0 0 222.372 4.018 10 0 BIAERN CCc1c(C)nc2ccc(Cl)cc2c1CC ZINC000536954693 323963149 /nfs/dbraw/zinc/96/31/49/323963149.db2.gz XXRZPJOSMBOJEB-UHFFFAOYSA-N 0 0 233.742 4.321 10 0 BIAERN CC(C)[C@@H]1CCC[C@@]2(C1)CC[C@@H]1C[C@H]1CO2 ZINC000536954933 387168197 /nfs/dbraw/zinc/16/81/97/387168197.db2.gz NGGFZKBFTICMJR-KBXIAJHMSA-N 0 0 222.372 4.018 10 0 BIAERN CC(C)[C@@H]1CCC[C@@]2(C1)CC[C@@H]1C[C@@H]1CO2 ZINC000536954945 323964050 /nfs/dbraw/zinc/96/40/50/323964050.db2.gz NGGFZKBFTICMJR-TUVASFSCSA-N 0 0 222.372 4.018 10 0 BIAERN CC(C)[C@@H]1CCC[C@@]2(C1)CC[C@H]1C[C@H]1CO2 ZINC000536954948 323964305 /nfs/dbraw/zinc/96/43/05/323964305.db2.gz NGGFZKBFTICMJR-XGUBFFRZSA-N 0 0 222.372 4.018 10 0 BIAERN CC(C)[C@@H]1CCC[C@@]2(C1)CC[C@H]1C[C@@H]1CO2 ZINC000536954949 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BUIIHAGQJYCZNM-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1cc(SC)c(C)cc1C(F)(F)F ZINC000575702113 384760501 /nfs/dbraw/zinc/76/05/01/384760501.db2.gz CONDUXBDMDJQFJ-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1cc(SC)c(C(F)(F)F)cc1C ZINC000575702384 384760093 /nfs/dbraw/zinc/76/00/93/384760093.db2.gz FCYOVRHSBZFRCQ-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1cc(C)c(C(F)(F)F)c(SC)c1 ZINC000575703001 387398769 /nfs/dbraw/zinc/39/87/69/387398769.db2.gz JTMRTZHWKWKEJQ-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1c(C)cc(SC)cc1C(F)(F)F ZINC000575704216 387400961 /nfs/dbraw/zinc/40/09/61/387400961.db2.gz ULAZSPFTNWRLRM-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1ccc(C)c(C(F)(F)F)c1SC ZINC000575704368 387401724 /nfs/dbraw/zinc/40/17/24/387401724.db2.gz ABUMEDAOWPVTEL-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1c(C)ccc(C(F)(F)F)c1SC ZINC000575704396 384782018 /nfs/dbraw/zinc/78/20/18/384782018.db2.gz AGJZSBWZQUTABN-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1ccc(C(F)(F)F)c(C)c1SC ZINC000575705030 387409259 /nfs/dbraw/zinc/40/92/59/387409259.db2.gz DJOFVMFSWVHIJI-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1cc(C)cc(SC)c1C(F)(F)F ZINC000575705116 384791421 /nfs/dbraw/zinc/79/14/21/384791421.db2.gz DYPMWDZGSMGRSX-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1cc(SC)c(C)c(C(F)(F)F)c1 ZINC000575705151 387409573 /nfs/dbraw/zinc/40/95/73/387409573.db2.gz FRAYTDLHNPQOFT-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1cc(C(F)(F)F)c(SC)cc1C ZINC000575705324 387408538 /nfs/dbraw/zinc/40/85/38/387408538.db2.gz GHJIWGBTQIFRBF-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1ccc(C(F)(F)F)c(SC)c1C ZINC000575705509 387410998 /nfs/dbraw/zinc/41/09/98/387410998.db2.gz HWPNPOWFHOIZQB-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1cc(C)cc(C(F)(F)F)c1SC ZINC000575705634 387410982 /nfs/dbraw/zinc/41/09/82/387410982.db2.gz IPVWHTODPRHQOU-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCc1cc(C(F)(F)F)cc(SC)c1C ZINC000575706179 387410492 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4.298 10 0 BIAERN CCc1ccc(C)c(SC)c1C(F)(F)F ZINC000575706872 387410320 /nfs/dbraw/zinc/41/03/20/387410320.db2.gz YWVCEWQICFDBQR-UHFFFAOYSA-N 0 0 234.286 4.298 10 0 BIAERN CCOC(=O)C=C1CCC2(CCCCC2)CC1 ZINC000584591334 358249793 /nfs/dbraw/zinc/24/97/93/358249793.db2.gz MNBZNOYBBVRSJH-UHFFFAOYSA-N 0 0 236.355 4.000 10 0 BIAERN NN1CCCCCCCCCCCCCCC1 ZINC000584591793 358250555 /nfs/dbraw/zinc/25/05/55/358250555.db2.gz KKIDEIDBBYVBSD-UHFFFAOYSA-N 0 0 240.435 4.247 10 0 BIAERN O=Cc1ccc(CCCCc2ccccc2)cc1 ZINC000584592104 358250244 /nfs/dbraw/zinc/25/02/44/358250244.db2.gz BWMXNRGAIXBDFL-UHFFFAOYSA-N 0 0 238.330 4.065 10 0 BIAERN CC(C)CC1(c2cc(Cl)ccc2C=O)CC1 ZINC000584592337 358250249 /nfs/dbraw/zinc/25/02/49/358250249.db2.gz MAWYUDWQIIOPMN-UHFFFAOYSA-N 0 0 236.742 4.230 10 0 BIAERN CC(C)(C)Sc1cccc(N)c1C(F)(F)F ZINC000584592565 358250385 /nfs/dbraw/zinc/25/03/85/358250385.db2.gz MBSLAORMJDZILC-UHFFFAOYSA-N 0 0 249.301 4.178 10 0 BIAERN CSc1cccc(/C=C/c2ccc(N)cc2)c1 ZINC000584592924 358250996 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/nfs/dbraw/zinc/50/15/59/387501559.db2.gz AHGHATVHOQFAMW-UHFFFAOYSA-N 0 0 245.665 4.274 10 0 BIAERN CC(C)(C)CCC1=C[C@H]2CC(=O)C[C@@H](C1)C2 ZINC000584599580 387501537 /nfs/dbraw/zinc/50/15/37/387501537.db2.gz CQWPZPDQRNQFKB-OLZOCXBDSA-N 0 0 220.356 4.128 10 0 BIAERN CCC1(CC)Cc2c1cccc2Br ZINC000584599844 358256459 /nfs/dbraw/zinc/25/64/59/358256459.db2.gz SCPOTWZBYYTTER-UHFFFAOYSA-N 0 0 239.156 4.063 10 0 BIAERN C[C@@H]1CC[C@H](C23CC4CC(CC(C4)C2)C3)C(=O)C1 ZINC000584601323 358258113 /nfs/dbraw/zinc/25/81/13/358258113.db2.gz CPXLIAHNFIVKOO-BVOGVELGSA-N 0 0 246.394 4.208 10 0 BIAERN C[C@H]1CC[C@@H](C23CC4CC(CC(C4)C2)C3)C(=O)C1 ZINC000584601329 358258272 /nfs/dbraw/zinc/25/82/72/358258272.db2.gz CPXLIAHNFIVKOO-DVMIWYLISA-N 0 0 246.394 4.208 10 0 BIAERN C[C@H]1CC[C@H](C23CC4CC(CC(C4)C2)C3)C(=O)C1 ZINC000584601330 358258216 /nfs/dbraw/zinc/25/82/16/358258216.db2.gz CPXLIAHNFIVKOO-INRQWTSDSA-N 0 0 246.394 4.208 10 0 BIAERN C[C@@H]1CC[C@@H](C23CC4CC(CC(C4)C2)C3)C(=O)C1 ZINC000584601331 358258328 /nfs/dbraw/zinc/25/83/28/358258328.db2.gz CPXLIAHNFIVKOO-QDCKZUPOSA-N 0 0 246.394 4.208 10 0 BIAERN C[C@@H]1CCCC(=O)[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000584601373 358258224 /nfs/dbraw/zinc/25/82/24/358258224.db2.gz KVCFTWAZFDFFOW-AFSRYXPQSA-N 0 0 246.394 4.208 10 0 BIAERN C[C@H]1CCCC(=O)[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000584601374 358258009 /nfs/dbraw/zinc/25/80/09/358258009.db2.gz KVCFTWAZFDFFOW-RAWUWXBPSA-N 0 0 246.394 4.208 10 0 BIAERN C[C@H]1CCCC(=O)[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000584601375 358258246 /nfs/dbraw/zinc/25/82/46/358258246.db2.gz KVCFTWAZFDFFOW-WQIUYUTLSA-N 0 0 246.394 4.208 10 0 BIAERN C[C@@H]1CCCC(=O)[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000584601376 358258267 /nfs/dbraw/zinc/25/82/67/358258267.db2.gz KVCFTWAZFDFFOW-WWGJUYDJSA-N 0 0 246.394 4.208 10 0 BIAERN C[C@@H]1CCC(=O)[C@@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000584601402 358258115 /nfs/dbraw/zinc/25/81/15/358258115.db2.gz QJPJUVQEOYPLBG-BVOGVELGSA-N 0 0 246.394 4.208 10 0 BIAERN C[C@H]1CCC(=O)[C@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000584601403 358258287 /nfs/dbraw/zinc/25/82/87/358258287.db2.gz QJPJUVQEOYPLBG-DVMIWYLISA-N 0 0 246.394 4.208 10 0 BIAERN C[C@H]1CCC(=O)[C@@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000584601404 358258031 /nfs/dbraw/zinc/25/80/31/358258031.db2.gz QJPJUVQEOYPLBG-INRQWTSDSA-N 0 0 246.394 4.208 10 0 BIAERN C[C@@H]1CCC(=O)[C@H](C23CC4CC(CC(C4)C2)C3)C1 ZINC000584601405 358258254 /nfs/dbraw/zinc/25/82/54/358258254.db2.gz QJPJUVQEOYPLBG-QDCKZUPOSA-N 0 0 246.394 4.208 10 0 BIAERN FC(F)(F)SC1CCCCCCC1 ZINC000584601512 358258868 /nfs/dbraw/zinc/25/88/68/358258868.db2.gz ZYXMMUGCKPNWCX-UHFFFAOYSA-N 0 0 212.280 4.352 10 0 BIAERN O=Cc1ccc2c(c1)C=Cc1ccccc1C=C2 ZINC000584601786 358259345 /nfs/dbraw/zinc/25/93/45/358259345.db2.gz AYGHJIQZFQVFSE-UHFFFAOYSA-N 0 0 232.282 4.153 10 0 BIAERN CCCCP(=O)(CCCC)C(F)F ZINC000584601903 358259451 /nfs/dbraw/zinc/25/94/51/358259451.db2.gz DLQYYPYAGOCYMQ-UHFFFAOYSA-N 0 0 212.220 4.172 10 0 BIAERN CCOP(=O)(/C=C\C=C\CC(C)C)OCC ZINC000584601948 358259392 /nfs/dbraw/zinc/25/93/92/358259392.db2.gz HDTCQYWRMWMRPX-OHFYBLQUSA-N 0 0 246.287 4.369 10 0 BIAERN CCC/C=C/C=C/P(=O)(OCC)OCC ZINC000584602401 358260145 /nfs/dbraw/zinc/26/01/45/358260145.db2.gz SSQMUPQVPDWODZ-BNFZFUHLSA-N 0 0 232.260 4.123 10 0 BIAERN CCC/C=C/C=C\P(=O)(OCC)OCC ZINC000584602412 358260089 /nfs/dbraw/zinc/26/00/89/358260089.db2.gz SSQMUPQVPDWODZ-OCBXPSTGSA-N 0 0 232.260 4.123 10 0 BIAERN CC(=O)c1cccc2c1Nc1ccccc1C=C2 ZINC000584603592 358262297 /nfs/dbraw/zinc/26/22/97/358262297.db2.gz HXEADAJNONTEFR-UHFFFAOYSA-N 0 0 235.286 4.117 10 0 BIAERN O=C1CC[C@@H]2[C@H]3CC[C@@H]4CCC[C@H]4[C@@H]3CC[C@H]2C1 ZINC000584604663 358263827 /nfs/dbraw/zinc/26/38/27/358263827.db2.gz COAOVOHNCKHWFV-SSBCORSOSA-N 0 0 246.394 4.208 10 0 BIAERN O=C1CC[C@@H]2[C@@H]1CC[C@H]1[C@H]2CC[C@H]2CCCC[C@@H]21 ZINC000584604737 358263819 /nfs/dbraw/zinc/26/38/19/358263819.db2.gz SCGILXXYXVPRAK-UKRFAEJPSA-N 0 0 246.394 4.208 10 0 BIAERN O=C1CCC2=C(CC[C@H]3[C@@H]4CCC[C@H]4CC[C@H]23)C1 ZINC000584604739 358263764 /nfs/dbraw/zinc/26/37/64/358263764.db2.gz SOHRBEWOMMNHIV-WGHIXYSZSA-N 0 0 244.378 4.272 10 0 BIAERN Fc1ccc(-c2oncc2-c2ccccc2)cc1 ZINC000584605654 358264443 /nfs/dbraw/zinc/26/44/43/358264443.db2.gz JGVYKMUGZAFOML-UHFFFAOYSA-N 0 0 239.249 4.148 10 0 BIAERN Fc1ccc(-c2cnoc2-c2ccccc2)cc1 ZINC000584605676 358264520 /nfs/dbraw/zinc/26/45/20/358264520.db2.gz LJLZYIMXLQSEMG-UHFFFAOYSA-N 0 0 239.249 4.148 10 0 BIAERN Cc1cccc2c1C=Cc1cccc3c1N2CC3 ZINC000584605808 358264423 /nfs/dbraw/zinc/26/44/23/358264423.db2.gz LVRGRJWQOKKZCQ-UHFFFAOYSA-N 0 0 233.314 4.173 10 0 BIAERN Fc1ccc(Oc2cccc3ccncc32)cc1 ZINC000584605825 358265309 /nfs/dbraw/zinc/26/53/09/358265309.db2.gz UCOTVNDCDDFKOE-UHFFFAOYSA-N 0 0 239.249 4.166 10 0 BIAERN Cc1ccc2c(c1C)C=Cc1cccc3c1N2CC3 ZINC000584605921 358265620 /nfs/dbraw/zinc/26/56/20/358265620.db2.gz PVMUYAYKOGAZKG-UHFFFAOYSA-N 0 0 247.341 4.481 10 0 BIAERN COc1ccc(C(=C(F)F)[Si](C)(C)C)cc1 ZINC000584607985 358268517 /nfs/dbraw/zinc/26/85/17/358268517.db2.gz AWVBPBUFUAAWHC-UHFFFAOYSA-N 0 0 242.341 4.180 10 0 BIAERN Cc1ccc(C(=C(F)F)[Si](C)(C)C)cc1 ZINC000584607996 358268533 /nfs/dbraw/zinc/26/85/33/358268533.db2.gz CGDUJJMYCXLJBD-UHFFFAOYSA-N 0 0 226.342 4.480 10 0 BIAERN FC(F)(F)SCCc1ccc(Cl)cc1 ZINC000584609124 358270005 /nfs/dbraw/zinc/27/00/05/358270005.db2.gz RTXKZNLRUBLAIN-UHFFFAOYSA-N 0 0 240.677 4.136 10 0 BIAERN O=NN(c1ccccc1)c1ccc(Cl)cc1 ZINC000584609133 358269805 /nfs/dbraw/zinc/26/98/05/358269805.db2.gz SUWFDKLJVUIOPT-UHFFFAOYSA-N 0 0 232.670 4.160 10 0 BIAERN C[C@H](CCc1ccccc1)SC(F)(F)F ZINC000584609164 358105903 /nfs/dbraw/zinc/10/59/03/358105903.db2.gz BQMWOYLGLRXSSX-SECBINFHSA-N 0 0 234.286 4.261 10 0 BIAERN C[C@@H](CCc1ccccc1)SC(F)(F)F ZINC000584609165 358269800 /nfs/dbraw/zinc/26/98/00/358269800.db2.gz BQMWOYLGLRXSSX-VIFPVBQESA-N 0 0 234.286 4.261 10 0 BIAERN Fc1ccc(/C=C/CSC(F)(F)F)cc1 ZINC000584609337 358270704 /nfs/dbraw/zinc/27/07/04/358270704.db2.gz JCTPESRKGZPLNF-OWOJBTEDSA-N 0 0 236.233 4.092 10 0 BIAERN CCCCCC/C(C)=C/Br ZINC000584609340 358270425 /nfs/dbraw/zinc/27/04/25/358270425.db2.gz ISTCARXXRIJZJQ-CMDGGOBGSA-N 0 0 205.139 4.256 10 0 BIAERN O=C(C=CCc1cccs1)c1cccs1 ZINC000584609414 358270413 /nfs/dbraw/zinc/27/04/13/358270413.db2.gz NHRBSGJAAJMJHP-DAFODLJHSA-N 0 0 234.345 4.096 10 0 BIAERN Cc1cccc(/C=C/CSC(F)(F)F)c1 ZINC000584609512 358271069 /nfs/dbraw/zinc/27/10/69/358271069.db2.gz QZMVFLXWWJGWOZ-ZZXKWVIFSA-N 0 0 232.270 4.261 10 0 BIAERN CC(C)=CCC/C(C)=C/COC(F)(F)F ZINC000584609516 358271300 /nfs/dbraw/zinc/27/13/00/358271300.db2.gz DBIFRFTYXWQUFL-JXMROGBWSA-N 0 0 222.250 4.216 10 0 BIAERN Cc1ccc(/C=C/CSC(F)(F)F)cc1 ZINC000584609552 358271179 /nfs/dbraw/zinc/27/11/79/358271179.db2.gz SJVVJUXLKBNKPN-NSCUHMNNSA-N 0 0 232.270 4.261 10 0 BIAERN CCOP(=O)(OCC)OC1=CCCCCC1 ZINC000584609560 358271175 /nfs/dbraw/zinc/27/11/75/358271175.db2.gz SSOQFFOFOSVIBM-UHFFFAOYSA-N 0 0 248.259 4.032 10 0 BIAERN C/C=C(/SC(F)(F)F)c1ccccc1 ZINC000584609582 358271160 /nfs/dbraw/zinc/27/11/60/358271160.db2.gz SZJXNRMLXWUKMZ-XNWCZRBMSA-N 0 0 218.243 4.300 10 0 BIAERN FC(F)(F)C/C=C/CCc1ccccc1 ZINC000584609601 358271096 /nfs/dbraw/zinc/27/10/96/358271096.db2.gz UIURGNTWIULABZ-QHHAFSJGSA-N 0 0 214.230 4.128 10 0 BIAERN Clc1cccc(/C=C/c2ccco2)c1 ZINC000584609639 358271304 /nfs/dbraw/zinc/27/13/04/358271304.db2.gz SPJUAVHQQSGIHC-VOTSOKGWSA-N 0 0 204.656 4.103 10 0 BIAERN COc1ccc(/C=C/C(C)C)cc1Cl ZINC000584609898 358271878 /nfs/dbraw/zinc/27/18/78/358271878.db2.gz MWUAPQKJRBBWFX-SNAWJCMRSA-N 0 0 210.704 4.018 10 0 BIAERN Cc1nc2cc(/C=C/C(F)(F)F)ccc2s1 ZINC000584610056 358272668 /nfs/dbraw/zinc/27/26/68/358272668.db2.gz MGLULVIWVFROEG-SNAWJCMRSA-N 0 0 243.253 4.180 10 0 BIAERN CSc1ccc(/C=C/CC(F)(F)F)cc1 ZINC000584610228 358273095 /nfs/dbraw/zinc/27/30/95/358273095.db2.gz PVGJCOTVUYWBLK-NSCUHMNNSA-N 0 0 232.270 4.374 10 0 BIAERN CCCC[C@@H]1CCCC=C1Br ZINC000584610328 358272999 /nfs/dbraw/zinc/27/29/99/358272999.db2.gz PTFRQYWANLDOJA-SECBINFHSA-N 0 0 217.150 4.256 10 0 BIAERN CCc1ccc(/C=C(\F)C(F)(F)F)cc1 ZINC000584610973 358274397 /nfs/dbraw/zinc/27/43/97/358274397.db2.gz HZNRALHBPCPVME-YFHOEESVSA-N 0 0 218.193 4.122 10 0 BIAERN F/C(=C\Br)c1ccc(Cl)cc1 ZINC000584610987 358274529 /nfs/dbraw/zinc/27/45/29/358274529.db2.gz JARRESNQKMBPMB-YVMONPNESA-N 0 0 235.483 4.003 10 0 BIAERN F/C(=C\c1ccc(Cl)cc1)C(F)(F)F ZINC000584611033 358274838 /nfs/dbraw/zinc/27/48/38/358274838.db2.gz KETVUXUPCITFRT-YVMONPNESA-N 0 0 224.584 4.213 10 0 BIAERN CC(C)(C)OCSc1ccccc1Cl ZINC000584611072 358274891 /nfs/dbraw/zinc/27/48/91/358274891.db2.gz NYPVKDGGELARCT-UHFFFAOYSA-N 0 0 230.760 4.205 10 0 BIAERN FC(F)(F)Sc1ccc2ccccc2c1 ZINC000584611176 358274908 /nfs/dbraw/zinc/27/49/08/358274908.db2.gz SNRKAJDNPUWJJJ-UHFFFAOYSA-N 0 0 228.238 4.452 10 0 BIAERN Cc1ccc(-c2ccc([C@@H](C)O)c(F)c2)cc1C ZINC000584612595 358276248 /nfs/dbraw/zinc/27/62/48/358276248.db2.gz IVUVPUPDKGWRDC-GFCCVEGCSA-N 0 0 244.309 4.163 10 0 BIAERN Cc1ccc(-c2ccc([C@H](C)O)c(F)c2)cc1C ZINC000584612596 358276354 /nfs/dbraw/zinc/27/63/54/358276354.db2.gz IVUVPUPDKGWRDC-LBPRGKRZSA-N 0 0 244.309 4.163 10 0 BIAERN Oc1ccc2ccccc2c1SC(F)(F)F ZINC000584612770 358276299 /nfs/dbraw/zinc/27/62/99/358276299.db2.gz KYUHEJISDJKXPZ-UHFFFAOYSA-N 0 0 244.237 4.157 10 0 BIAERN FC(F)(F)C[C@@H]1CCCc2ccccc21 ZINC000584612924 358277019 /nfs/dbraw/zinc/27/70/19/358277019.db2.gz XEBQDSDFCXCZQY-JTQLQIEISA-N 0 0 214.230 4.059 10 0 BIAERN FC(F)(F)C[C@H]1CCCc2ccccc21 ZINC000584612925 358276850 /nfs/dbraw/zinc/27/68/50/358276850.db2.gz XEBQDSDFCXCZQY-SNVBAGLBSA-N 0 0 214.230 4.059 10 0 BIAERN C[Si](C)(C)Cc1ccc(C(F)(F)F)cc1 ZINC000584613099 358276977 /nfs/dbraw/zinc/27/69/77/358276977.db2.gz ABZGAZAPCXJXAM-UHFFFAOYSA-N 0 0 232.321 4.125 10 0 BIAERN CCC[Si](CCC)(CCC)C(=O)CC ZINC000584613777 358278116 /nfs/dbraw/zinc/27/81/16/358278116.db2.gz GSRCVFKDUDGBMB-UHFFFAOYSA-N 0 0 214.425 4.184 10 0 BIAERN C/C=C/c1c(F)c(F)c(/C=C/C)c(F)c1F ZINC000584613795 358278392 /nfs/dbraw/zinc/27/83/92/358278392.db2.gz IMBILZQJVAPESE-GGWOSOGESA-N 0 0 230.204 4.309 10 0 BIAERN Fc1c(F)c(F)c([C@H]2C=CCCC2)c(F)c1F ZINC000584613895 398078109 /nfs/dbraw/zinc/07/81/09/398078109.db2.gz MFFMXMBIUVSKNR-LURJTMIESA-N 0 0 248.194 4.206 10 0 BIAERN Fc1c(F)c(F)c([C@@H]2C=CCCC2)c(F)c1F ZINC000584613901 398078151 /nfs/dbraw/zinc/07/81/51/398078151.db2.gz MFFMXMBIUVSKNR-ZCFIWIBFSA-N 0 0 248.194 4.206 10 0 BIAERN CCCC/C=C\C1(c2cc(O)cc(O)c2)CCC1 ZINC000584615059 358279602 /nfs/dbraw/zinc/27/96/02/358279602.db2.gz NGZFQQXUBHWRQY-ALCCZGGFSA-N 0 0 246.350 4.266 10 0 BIAERN CCCCCCC1(c2cc(O)cc(O)c2)CCC1 ZINC000584615303 358279779 /nfs/dbraw/zinc/27/97/79/358279779.db2.gz XXJAPJOBFDYKSC-UHFFFAOYSA-N 0 0 248.366 4.490 10 0 BIAERN c1ccc2c(c1)N=N[C@H]1C3CCC(CC3)[C@H]21 ZINC000584615639 358280359 /nfs/dbraw/zinc/28/03/59/358280359.db2.gz XPDQMQULBJGUMV-FEZLSPKCSA-N 0 0 212.296 4.056 10 0 BIAERN c1ccc2c(c1)N=N[C@H]1C3CCC(CC3)[C@@H]21 ZINC000584615640 358280615 /nfs/dbraw/zinc/28/06/15/358280615.db2.gz XPDQMQULBJGUMV-FMPDERDJSA-N 0 0 212.296 4.056 10 0 BIAERN c1ccc2c(c1)N=N[C@@H]1C3CCC(CC3)[C@@H]21 ZINC000584615641 358280494 /nfs/dbraw/zinc/28/04/94/358280494.db2.gz XPDQMQULBJGUMV-GSNUKPDKSA-N 0 0 212.296 4.056 10 0 BIAERN c1ccc2c(c1)N=N[C@@H]1C3CCC(CC3)[C@H]21 ZINC000584615642 358280626 /nfs/dbraw/zinc/28/06/26/358280626.db2.gz XPDQMQULBJGUMV-TWZWYRAHSA-N 0 0 212.296 4.056 10 0 BIAERN CC(=O)c1ccc(-c2cc(Cl)cs2)cc1 ZINC000584615831 358280548 /nfs/dbraw/zinc/28/05/48/358280548.db2.gz ZTWIVAPGTNTZKK-UHFFFAOYSA-N 0 0 236.723 4.271 10 0 BIAERN FC(F)=CCCc1ccc(Br)cc1 ZINC000584616210 358280967 /nfs/dbraw/zinc/28/09/67/358280967.db2.gz BZBDAIRUTARQCY-UHFFFAOYSA-N 0 0 247.082 4.162 10 0 BIAERN CC1(C)CCC(C)(C)c2cc3c(cc21)CC[C@@H]3O ZINC000584617008 358281400 /nfs/dbraw/zinc/28/14/00/358281400.db2.gz ILGFLJBHPVMSBY-HNNXBMFYSA-N 0 0 244.378 4.015 10 0 BIAERN CC1(C)CCC(C)(C)c2cc3c(cc21)CC[C@H]3O ZINC000584617009 358281399 /nfs/dbraw/zinc/28/13/99/358281399.db2.gz ILGFLJBHPVMSBY-OAHLLOKOSA-N 0 0 244.378 4.015 10 0 BIAERN Cc1ccc([C@H]2CCc3ccccc3NC2)cc1 ZINC000584617397 358282289 /nfs/dbraw/zinc/28/22/89/358282289.db2.gz YDVUBOIWEWQENH-INIZCTEOSA-N 0 0 237.346 4.137 10 0 BIAERN Cc1ccc([C@@H]2CCc3ccccc3NC2)cc1 ZINC000584617398 358282246 /nfs/dbraw/zinc/28/22/46/358282246.db2.gz YDVUBOIWEWQENH-MRXNPFEDSA-N 0 0 237.346 4.137 10 0 BIAERN Clc1ccc2c(c1)C=C(c1ccccc1)C2 ZINC000584618216 358284427 /nfs/dbraw/zinc/28/44/27/358284427.db2.gz JUTGQKSQLXZFBB-UHFFFAOYSA-N 0 0 226.706 4.437 10 0 BIAERN CCn1c(-c2cccnc2)cc2cc(C)ccc21 ZINC000584618331 358284079 /nfs/dbraw/zinc/28/40/79/358284079.db2.gz CDTYXVSLRPRTCC-UHFFFAOYSA-N 0 0 236.318 4.032 10 0 BIAERN C1=C(CCc2ccccc2)Cc2ccccc21 ZINC000584618564 358284369 /nfs/dbraw/zinc/28/43/69/358284369.db2.gz METAXSYVQINTRD-UHFFFAOYSA-N 0 0 220.315 4.259 10 0 BIAERN Cc1ccccc1CC1=Cc2ccccc2C1 ZINC000584618632 358284661 /nfs/dbraw/zinc/28/46/61/358284661.db2.gz TVVMYIGCVUIQIR-UHFFFAOYSA-N 0 0 220.315 4.177 10 0 BIAERN O=C1C[C@@H](c2cccs2)c2ccc(Cl)cc21 ZINC000584618671 358284887 /nfs/dbraw/zinc/28/48/87/358284887.db2.gz UPULAFFGMYWGJP-LLVKDONJSA-N 0 0 248.734 4.120 10 0 BIAERN O=C1C[C@H](c2cccs2)c2ccc(Cl)cc21 ZINC000584618682 358285018 /nfs/dbraw/zinc/28/50/18/358285018.db2.gz UPULAFFGMYWGJP-NSHDSACASA-N 0 0 248.734 4.120 10 0 BIAERN Cc1ccc(CC2=Cc3ccccc3C2)cc1 ZINC000584618826 358285005 /nfs/dbraw/zinc/28/50/05/358285005.db2.gz WXXNMFGDHNOWQD-UHFFFAOYSA-N 0 0 220.315 4.177 10 0 BIAERN CC(C)C[C@@H]1CC(C)(C)c2cccc(N)c21 ZINC000584618852 358284657 /nfs/dbraw/zinc/28/46/57/358284657.db2.gz YIFNBQIBUHDAHI-LLVKDONJSA-N 0 0 217.356 4.080 10 0 BIAERN CC(C)C[C@H]1CC(C)(C)c2cccc(N)c21 ZINC000584618853 358284996 /nfs/dbraw/zinc/28/49/96/358284996.db2.gz YIFNBQIBUHDAHI-NSHDSACASA-N 0 0 217.356 4.080 10 0 BIAERN CCn1c2ccccc2c(C)c1-c1cccnc1 ZINC000584618918 358285515 /nfs/dbraw/zinc/28/55/15/358285515.db2.gz ZGGZHRRXRUNWJS-UHFFFAOYSA-N 0 0 236.318 4.032 10 0 BIAERN CCCc1cc(Cc2ccc(Cl)cc2)c[nH]1 ZINC000584619987 358286793 /nfs/dbraw/zinc/28/67/93/358286793.db2.gz XYZCFHDUYAAOIG-UHFFFAOYSA-N 0 0 233.742 4.211 10 0 BIAERN CCCCCCn1ccc2cnc(Cl)cc21 ZINC000584620212 358286827 /nfs/dbraw/zinc/28/68/27/358286827.db2.gz TVNBXYLTIQYWME-UHFFFAOYSA-N 0 0 236.746 4.270 10 0 BIAERN Cc1cc(C)c(CCCO)c2cc(Cl)ccc12 ZINC000584620758 358287923 /nfs/dbraw/zinc/28/79/23/358287923.db2.gz SEDRBHBVWQSPIZ-UHFFFAOYSA-N 0 0 248.753 4.035 10 0 BIAERN Cc1csc(-c2ccccc2Cl)c1 ZINC000584621301 358288672 /nfs/dbraw/zinc/28/86/72/358288672.db2.gz NHZOFXPHPMPKIC-UHFFFAOYSA-N 0 0 208.713 4.377 10 0 BIAERN Fc1ccc2nc(-c3ccccc3Cl)oc2c1 ZINC000584621338 358288715 /nfs/dbraw/zinc/28/87/15/358288715.db2.gz UZZMJHRLYFNRME-UHFFFAOYSA-N 0 0 247.656 4.287 10 0 BIAERN Clc1cccc(-c2cc3ncccc3o2)c1 ZINC000584621384 358288871 /nfs/dbraw/zinc/28/88/71/358288871.db2.gz BHMFCBBRHLEWLV-UHFFFAOYSA-N 0 0 229.666 4.148 10 0 BIAERN FC(F)(F)Cc1cccc(-c2ccco2)c1 ZINC000584621531 358289291 /nfs/dbraw/zinc/28/92/91/358289291.db2.gz VQCWOGKTZDKDHS-UHFFFAOYSA-N 0 0 226.197 4.051 10 0 BIAERN Clc1ccc([C@@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000584621703 358289255 /nfs/dbraw/zinc/28/92/55/358289255.db2.gz LCQXOLNMPRFLEZ-DJLDLDEBSA-N 0 0 212.745 4.305 10 0 BIAERN C=CSc1ccc(Cl)cc1Cl ZINC000584623077 358290692 /nfs/dbraw/zinc/29/06/92/358290692.db2.gz FSVWNTZQRMZIIC-UHFFFAOYSA-N 0 0 205.109 4.229 10 0 BIAERN CCc1ccc(-c2nc(C)c(C)s2)s1 ZINC000584623105 358291151 /nfs/dbraw/zinc/29/11/51/358291151.db2.gz BYSLEABGIDLKTH-UHFFFAOYSA-N 0 0 223.366 4.051 10 0 BIAERN FC(F)(F)c1c[nH]c(-c2ccc(Cl)cc2)c1 ZINC000584623221 398079056 /nfs/dbraw/zinc/07/90/56/398079056.db2.gz AHSDBPDHBDQTQX-UHFFFAOYSA-N 0 0 245.631 4.354 10 0 BIAERN CCCCSc1cc2ccccc2o1 ZINC000584623299 398079017 /nfs/dbraw/zinc/07/90/17/398079017.db2.gz LRJNFKGDXPVPPV-UHFFFAOYSA-N 0 0 206.310 4.325 10 0 BIAERN Brc1cc2c(ccc3ccccc23)o1 ZINC000584624530 358292378 /nfs/dbraw/zinc/29/23/78/358292378.db2.gz YFWQUMZOIMJBJN-UHFFFAOYSA-N 0 0 247.091 4.349 10 0 BIAERN CC[C@]1(C)CCC[C@H](C)[C@@H]1CCC(C)=O ZINC000584624581 358292651 /nfs/dbraw/zinc/29/26/51/358292651.db2.gz ZMTRVOCZFDQNID-FPMFFAJLSA-N 0 0 210.361 4.208 10 0 BIAERN CC[C@]1(C)CCC[C@H](C)[C@H]1CCC(C)=O ZINC000584624582 358292377 /nfs/dbraw/zinc/29/23/77/358292377.db2.gz ZMTRVOCZFDQNID-IACUBPJLSA-N 0 0 210.361 4.208 10 0 BIAERN CC[C@]1(C)CCC[C@@H](C)[C@@H]1CCC(C)=O ZINC000584624583 358292433 /nfs/dbraw/zinc/29/24/33/358292433.db2.gz ZMTRVOCZFDQNID-KWCYVHTRSA-N 0 0 210.361 4.208 10 0 BIAERN CC[C@]1(C)CCC[C@@H](C)[C@H]1CCC(C)=O ZINC000584624584 358292407 /nfs/dbraw/zinc/29/24/07/358292407.db2.gz ZMTRVOCZFDQNID-MRVWCRGKSA-N 0 0 210.361 4.208 10 0 BIAERN Cc1cc(-c2ccc(Cl)cc2)cnc1Cl ZINC000584624594 358293091 /nfs/dbraw/zinc/29/30/91/358293091.db2.gz CVKVFHOLHWMMJG-UHFFFAOYSA-N 0 0 238.117 4.364 10 0 BIAERN Clc1ncc(-c2cccc3ccccc32)o1 ZINC000584624603 358293103 /nfs/dbraw/zinc/29/31/03/358293103.db2.gz IYLXUPFPLUAYFA-UHFFFAOYSA-N 0 0 229.666 4.148 10 0 BIAERN C[C@@H]1Cc2c(c3ccccc3oc2=S)S1 ZINC000584625910 358294780 /nfs/dbraw/zinc/29/47/80/358294780.db2.gz ARIQQDNFUAGXAW-SSDOTTSWSA-N 0 0 234.345 4.199 10 0 BIAERN C[C@H]1Cc2c(c3ccccc3oc2=S)S1 ZINC000584625911 358294743 /nfs/dbraw/zinc/29/47/43/358294743.db2.gz ARIQQDNFUAGXAW-ZETCQYMHSA-N 0 0 234.345 4.199 10 0 BIAERN CCOC(=O)/C=C(\CCC(C)C)c1ccccc1 ZINC000584626059 398079686 /nfs/dbraw/zinc/07/96/86/398079686.db2.gz FNFKPBVTGMUNOC-NTCAYCPXSA-N 0 0 246.350 4.069 10 0 BIAERN Oc1ccc2c(c1)CCC/C2=C\c1ccccc1 ZINC000584626922 387504164 /nfs/dbraw/zinc/50/41/64/387504164.db2.gz PAXIQGPXBLPUED-SDNWHVSQSA-N 0 0 236.314 4.269 10 0 BIAERN Oc1ccc2c(c1)CCC[C@H]2Cc1ccccc1 ZINC000584626928 387503562 /nfs/dbraw/zinc/50/35/62/387503562.db2.gz QEAUZAABQDJUHP-AWEZNQCLSA-N 0 0 238.330 4.055 10 0 BIAERN Oc1ccc2c(c1)CCC[C@@H]2Cc1ccccc1 ZINC000584626929 387504155 /nfs/dbraw/zinc/50/41/55/387504155.db2.gz QEAUZAABQDJUHP-CQSZACIVSA-N 0 0 238.330 4.055 10 0 BIAERN CCCCOc1ccc([C@H](C(C)=O)C(C)C)cc1 ZINC000584627341 398080332 /nfs/dbraw/zinc/08/03/32/398080332.db2.gz UHZRIZBQSSAXML-INIZCTEOSA-N 0 0 248.366 4.194 10 0 BIAERN CCCCOc1ccc([C@@H](C(C)=O)C(C)C)cc1 ZINC000584627343 398080162 /nfs/dbraw/zinc/08/01/62/398080162.db2.gz UHZRIZBQSSAXML-MRXNPFEDSA-N 0 0 248.366 4.194 10 0 BIAERN CC(=O)CC12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000584627922 358297220 /nfs/dbraw/zinc/29/72/20/358297220.db2.gz RZLPGOYEJVOWSL-UHFFFAOYSA-N 0 0 234.383 4.352 10 0 BIAERN Cc1sc(=S)n(-c2ccc(C)cc2)c1C ZINC000584629594 358298931 /nfs/dbraw/zinc/29/89/31/358298931.db2.gz JTCLDQGEQYSGLU-UHFFFAOYSA-N 0 0 235.377 4.194 10 0 BIAERN Fc1c(Cl)ccc(Cl)c1-c1cccnc1 ZINC000584629805 358299141 /nfs/dbraw/zinc/29/91/41/358299141.db2.gz BQSCNMHLTNKKGH-UHFFFAOYSA-N 0 0 242.080 4.195 10 0 BIAERN CC(C)O[C@H](CC(F)(F)F)c1ccccc1 ZINC000584630750 358301021 /nfs/dbraw/zinc/30/10/21/358301021.db2.gz CGTNIYWIIYHWCI-LLVKDONJSA-N 0 0 232.245 4.105 10 0 BIAERN CC(C)O[C@@H](CC(F)(F)F)c1ccccc1 ZINC000584630752 358301223 /nfs/dbraw/zinc/30/12/23/358301223.db2.gz CGTNIYWIIYHWCI-NSHDSACASA-N 0 0 232.245 4.105 10 0 BIAERN c1csc(Sc2c[nH]c3ccccc23)c1 ZINC000584630825 358301850 /nfs/dbraw/zinc/30/18/50/358301850.db2.gz PJAQCHIPMWJMAE-UHFFFAOYSA-N 0 0 231.345 4.381 10 0 BIAERN CCCO[C@H](CC(F)(F)F)c1ccccc1 ZINC000584630850 358301776 /nfs/dbraw/zinc/30/17/76/358301776.db2.gz VBURTVLMGCVPAJ-LLVKDONJSA-N 0 0 232.245 4.107 10 0 BIAERN CCCO[C@@H](CC(F)(F)F)c1ccccc1 ZINC000584630851 358301700 /nfs/dbraw/zinc/30/17/00/358301700.db2.gz VBURTVLMGCVPAJ-NSHDSACASA-N 0 0 232.245 4.107 10 0 BIAERN Cc1cc2ccc3c(c2cc1O)CCCC3(C)C ZINC000584631603 358314165 /nfs/dbraw/zinc/31/41/65/358314165.db2.gz AZHNKFPRUPAZIJ-UHFFFAOYSA-N 0 0 240.346 4.468 10 0 BIAERN C1CCC2(CC1)CCC1(CCOCC1)CC2 ZINC000584631786 358314205 /nfs/dbraw/zinc/31/42/05/358314205.db2.gz WWRSZJBMFMHUFR-UHFFFAOYSA-N 0 0 222.372 4.308 10 0 BIAERN CCCCN1CCC/C1=C1/C=Nc2ccccc21 ZINC000584632628 358315700 /nfs/dbraw/zinc/31/57/00/358315700.db2.gz NHDYSURYBWWLGM-JQIJEIRASA-N 0 0 240.350 4.010 10 0 BIAERN Fc1c(Cl)ccc(Cl)c1-c1ccncc1 ZINC000584633525 358317046 /nfs/dbraw/zinc/31/70/46/358317046.db2.gz UURHRUGCILXSNQ-UHFFFAOYSA-N 0 0 242.080 4.195 10 0 BIAERN O[C@@H](CCCCc1ccccc1)c1ccsc1 ZINC000584634993 491070919 /nfs/dbraw/zinc/07/09/19/491070919.db2.gz GRZSHLHWDNAEFP-HNNXBMFYSA-N 0 0 246.375 4.195 10 0 BIAERN O[C@H](CCCCc1ccccc1)c1ccsc1 ZINC000584634995 491070925 /nfs/dbraw/zinc/07/09/25/491070925.db2.gz GRZSHLHWDNAEFP-OAHLLOKOSA-N 0 0 246.375 4.195 10 0 BIAERN Cc1ccccc1-c1ccc2ncc(C=O)cc2c1 ZINC000584635254 358319491 /nfs/dbraw/zinc/31/94/91/358319491.db2.gz PSZMURVDEVGGPR-UHFFFAOYSA-N 0 0 247.297 4.023 10 0 BIAERN CC1=Nc2c(c(Cl)ccc2C)C1(C)C ZINC000584635579 358319570 /nfs/dbraw/zinc/31/95/70/358319570.db2.gz ONURKJASBZSDFY-UHFFFAOYSA-N 0 0 207.704 4.032 10 0 BIAERN CC(C)(C)OCSc1ccc(Cl)cc1 ZINC000584635875 358117278 /nfs/dbraw/zinc/11/72/78/358117278.db2.gz IBONWZHKNAQEDT-UHFFFAOYSA-N 0 0 230.760 4.205 10 0 BIAERN Cc1c[nH]c(-c2cccc(C(F)(F)F)c2)c1 ZINC000584636142 358320462 /nfs/dbraw/zinc/32/04/62/358320462.db2.gz BVDXHVIJVRXZOS-UHFFFAOYSA-N 0 0 225.213 4.009 10 0 BIAERN C1=Cc2ccc3c(c2C1)C=C[C@@]12C=CC=C[C@@]31C2 ZINC000584636758 358321635 /nfs/dbraw/zinc/32/16/35/358321635.db2.gz ZYSYPWCONORDNV-QZTJIDSGSA-N 0 0 230.310 4.037 10 0 BIAERN C1=Cc2ccc3c(c2C1)C=C[C@]12C=CC=C[C@]31C2 ZINC000584636759 358321559 /nfs/dbraw/zinc/32/15/59/358321559.db2.gz ZYSYPWCONORDNV-ROUUACIJSA-N 0 0 230.310 4.037 10 0 BIAERN CC1(C)CCCC(C)(C)c2ccccc21 ZINC000584638348 358323988 /nfs/dbraw/zinc/32/39/88/358323988.db2.gz OCZYFBURSCIPCQ-UHFFFAOYSA-N 0 0 202.341 4.426 10 0 BIAERN Cc1cccc2c1[nH]c1c2-c2ccccc2CC1 ZINC000584638420 358324189 /nfs/dbraw/zinc/32/41/89/358324189.db2.gz UDZYWQICWKEIKG-UHFFFAOYSA-N 0 0 233.314 4.242 10 0 BIAERN Cc1ccc2[nH]cc(SC(F)(F)F)c2c1 ZINC000584638718 358324522 /nfs/dbraw/zinc/32/45/22/358324522.db2.gz UHGPTCMLZFOIFG-UHFFFAOYSA-N 0 0 231.242 4.088 10 0 BIAERN Cc1c2c(cc3cccnc31)Cc1ccccc1-2 ZINC000584640109 358325533 /nfs/dbraw/zinc/32/55/33/358325533.db2.gz QNWXRMVKGJWDNP-UHFFFAOYSA-N 0 0 231.298 4.114 10 0 BIAERN Cc1cccc2c(SC(F)(F)F)c[nH]c21 ZINC000584640231 358326333 /nfs/dbraw/zinc/32/63/33/358326333.db2.gz HZDSCQVIEUHEGB-UHFFFAOYSA-N 0 0 231.242 4.088 10 0 BIAERN Cc1ccc2cc3c(cc2n1)-c1ccccc1C3 ZINC000584640308 358326311 /nfs/dbraw/zinc/32/63/11/358326311.db2.gz WVHJTCMBAYFJAS-UHFFFAOYSA-N 0 0 231.298 4.114 10 0 BIAERN CCn1c2cccc(C)c2c2c1ccc(C)c2O ZINC000584640608 358326823 /nfs/dbraw/zinc/32/68/23/358326823.db2.gz BABQAAHYLGGSMJ-UHFFFAOYSA-N 0 0 239.318 4.137 10 0 BIAERN CCn1c2ccc(C)cc2c2c1ccc(C)c2O ZINC000584640689 358326645 /nfs/dbraw/zinc/32/66/45/358326645.db2.gz IXKOUKRYMDJNGU-UHFFFAOYSA-N 0 0 239.318 4.137 10 0 BIAERN CCn1c2ccc(C)cc2c2cc(OC)ccc21 ZINC000584641120 358327130 /nfs/dbraw/zinc/32/71/30/358327130.db2.gz RNUHLGKWLQRPLW-UHFFFAOYSA-N 0 0 239.318 4.131 10 0 BIAERN CCn1c2ccc(C)cc2c2c1cccc2C ZINC000584641273 358327244 /nfs/dbraw/zinc/32/72/44/358327244.db2.gz ZQBIPDZDTZISMZ-UHFFFAOYSA-N 0 0 223.319 4.431 10 0 BIAERN CCC1(CC)CCCc2cc(OC)c(OC)cc21 ZINC000584642392 358327963 /nfs/dbraw/zinc/32/79/63/358327963.db2.gz MURRHHRPZFCDNU-UHFFFAOYSA-N 0 0 248.366 4.098 10 0 BIAERN Cc1ccc(SC(F)=C(F)F)cc1 ZINC000584643634 358328599 /nfs/dbraw/zinc/32/85/99/358328599.db2.gz TUFLEZQAKVKODA-UHFFFAOYSA-N 0 0 204.216 4.122 10 0 BIAERN Clc1ccc(/C=C/c2ccoc2)cc1 ZINC000584644227 358329477 /nfs/dbraw/zinc/32/94/77/358329477.db2.gz ZAUOHEXPKVBWRE-OWOJBTEDSA-N 0 0 204.656 4.103 10 0 BIAERN Nc1ccc(N=O)c(Nc2ccc(Cl)cc2)c1 ZINC000584645158 358330218 /nfs/dbraw/zinc/33/02/18/358330218.db2.gz YHJIFHXEKQQCNJ-UHFFFAOYSA-N 0 0 247.685 4.064 10 0 BIAERN C[C@@H]1c2cccc(Br)c2CC1(C)C ZINC000584645355 490182322 /nfs/dbraw/zinc/18/23/22/490182322.db2.gz KVLXRFKDMZOMPU-MRVPVSSYSA-N 0 0 239.156 4.135 10 0 BIAERN C[C@H]1c2cccc(Br)c2CC1(C)C ZINC000584645356 490182546 /nfs/dbraw/zinc/18/25/46/490182546.db2.gz KVLXRFKDMZOMPU-QMMMGPOBSA-N 0 0 239.156 4.135 10 0 BIAERN COc1ccc(-c2cscc2Cl)cc1 ZINC000584646525 490183302 /nfs/dbraw/zinc/18/33/02/490183302.db2.gz LROIIPBRDXSYFK-UHFFFAOYSA-N 0 0 224.712 4.077 10 0 BIAERN Brc1ccc(/C=C/c2ccoc2)cc1 ZINC000584646807 358331500 /nfs/dbraw/zinc/33/15/00/358331500.db2.gz LWDKSFGFBZUEIU-OWOJBTEDSA-N 0 0 249.107 4.213 10 0 BIAERN CCCSC[Si](CC)(CC)CC ZINC000584646852 358331659 /nfs/dbraw/zinc/33/16/59/358331659.db2.gz DQBYAYSEZPQOPD-UHFFFAOYSA-N 0 0 204.455 4.177 10 0 BIAERN CC[C@]1(C)CCc2c1cccc2Br ZINC000584647657 358302191 /nfs/dbraw/zinc/30/21/91/358302191.db2.gz INPZAJGGXJBIKQ-GFCCVEGCSA-N 0 0 239.156 4.063 10 0 BIAERN CC[C@@]1(C)CCc2c1cccc2Br ZINC000584647659 358302144 /nfs/dbraw/zinc/30/21/44/358302144.db2.gz INPZAJGGXJBIKQ-LBPRGKRZSA-N 0 0 239.156 4.063 10 0 BIAERN CC[Si](CC)(CC)[C@@H]1CC[C@@H](C)S1 ZINC000584647760 398080761 /nfs/dbraw/zinc/08/07/61/398080761.db2.gz XTGODJUDCKSEMO-GHMZBOCLSA-N 0 0 216.466 4.318 10 0 BIAERN CC[Si](CC)(CC)[C@H]1CC[C@@H](C)S1 ZINC000584647761 398080895 /nfs/dbraw/zinc/08/08/95/398080895.db2.gz XTGODJUDCKSEMO-MNOVXSKESA-N 0 0 216.466 4.318 10 0 BIAERN CC[Si](CC)(CC)[C@H]1CC[C@H](C)S1 ZINC000584647762 398080915 /nfs/dbraw/zinc/08/09/15/398080915.db2.gz XTGODJUDCKSEMO-QWRGUYRKSA-N 0 0 216.466 4.318 10 0 BIAERN CC[Si](CC)(CC)[C@@H]1CC[C@H](C)S1 ZINC000584647763 398080809 /nfs/dbraw/zinc/08/08/09/398080809.db2.gz XTGODJUDCKSEMO-WDEREUQCSA-N 0 0 216.466 4.318 10 0 BIAERN CCCCSC(=O)c1cccc(Cl)c1 ZINC000584647841 398080817 /nfs/dbraw/zinc/08/08/17/398080817.db2.gz LPVSEICCNUQGPQ-UHFFFAOYSA-N 0 0 228.744 4.014 10 0 BIAERN Oc1ccc(/C=C2\CCCc3ccccc32)cc1 ZINC000584648639 358303650 /nfs/dbraw/zinc/30/36/50/358303650.db2.gz JTZNACFLADPTEB-NTCAYCPXSA-N 0 0 236.314 4.269 10 0 BIAERN Oc1ccc(C[C@@H]2CCCc3ccccc32)cc1 ZINC000584648647 358303155 /nfs/dbraw/zinc/30/31/55/358303155.db2.gz NKOIGZDMLCCPPG-HNNXBMFYSA-N 0 0 238.330 4.055 10 0 BIAERN Oc1ccc(C[C@H]2CCCc3ccccc32)cc1 ZINC000584648648 358303186 /nfs/dbraw/zinc/30/31/86/358303186.db2.gz NKOIGZDMLCCPPG-OAHLLOKOSA-N 0 0 238.330 4.055 10 0 BIAERN Fc1cnc(Cl)cc1-c1cccc2ccoc21 ZINC000584648796 358303625 /nfs/dbraw/zinc/30/36/25/358303625.db2.gz PBKOFBZLMMFIGJ-UHFFFAOYSA-N 0 0 247.656 4.287 10 0 BIAERN Cc1cc(Cl)c2cc(C)c(Cl)c(C)c2n1 ZINC000584649010 358304177 /nfs/dbraw/zinc/30/41/77/358304177.db2.gz SOKGAHWMROLXIM-UHFFFAOYSA-N 0 0 240.133 4.467 10 0 BIAERN COc1ccc2c(c1)CCC([C@@H]1C=CCC1)=C2C ZINC000584649359 358304213 /nfs/dbraw/zinc/30/42/13/358304213.db2.gz SVSYOQOQPOIPBF-CYBMUJFWSA-N 0 0 240.346 4.381 10 0 BIAERN COc1ccc2c(c1)CCC([C@H]1C=CCC1)=C2C ZINC000584649360 358304063 /nfs/dbraw/zinc/30/40/63/358304063.db2.gz SVSYOQOQPOIPBF-ZDUSSCGKSA-N 0 0 240.346 4.381 10 0 BIAERN CCCc1c(C)ccc2ccc(OC)cc21 ZINC000584650020 398081275 /nfs/dbraw/zinc/08/12/75/398081275.db2.gz IUYBIBQGBFHYLP-UHFFFAOYSA-N 0 0 214.308 4.109 10 0 BIAERN COc1ccc(/C(C)=C(\C)c2ccccn2)cc1 ZINC000584650141 490177865 /nfs/dbraw/zinc/17/78/65/490177865.db2.gz GTXFPBKRKRVFCH-OUKQBFOZSA-N 0 0 239.318 4.041 10 0 BIAERN CC/C(=C/c1ccccn1)c1ccc(OC)cc1 ZINC000584650183 490177764 /nfs/dbraw/zinc/17/77/64/490177764.db2.gz LCJDFHAGHSQGKK-SEYXRHQNSA-N 0 0 239.318 4.041 10 0 BIAERN C/C(=C\c1ccccn1)c1ccc(Cl)cc1 ZINC000584650187 358129091 /nfs/dbraw/zinc/12/90/91/358129091.db2.gz MJOVFKQGILESDF-ZHACJKMWSA-N 0 0 229.710 4.296 10 0 BIAERN CC[C@H](c1ccccn1)[C@H](C)c1ccc(O)cc1 ZINC000584650198 490177821 /nfs/dbraw/zinc/17/78/21/490177821.db2.gz OEDOLIOTUFDRCO-DOMZBBRYSA-N 0 0 241.334 4.085 10 0 BIAERN CC[C@@H](c1ccccn1)[C@H](C)c1ccc(O)cc1 ZINC000584650199 488020074 /nfs/dbraw/zinc/02/00/74/488020074.db2.gz OEDOLIOTUFDRCO-IUODEOHRSA-N 0 0 241.334 4.085 10 0 BIAERN CC[C@@H](c1ccccn1)[C@@H](C)c1ccc(O)cc1 ZINC000584650200 488020134 /nfs/dbraw/zinc/02/01/34/488020134.db2.gz OEDOLIOTUFDRCO-SWLSCSKDSA-N 0 0 241.334 4.085 10 0 BIAERN CC[C@H](c1ccccn1)[C@@H](C)c1ccc(O)cc1 ZINC000584650201 488020190 /nfs/dbraw/zinc/02/01/90/488020190.db2.gz OEDOLIOTUFDRCO-WFASDCNBSA-N 0 0 241.334 4.085 10 0 BIAERN C[C@H](Cc1ccccn1)c1ccc(Cl)cc1 ZINC000584650233 488020127 /nfs/dbraw/zinc/02/01/27/488020127.db2.gz RYDCSQUAWNKFAA-LLVKDONJSA-N 0 0 231.726 4.081 10 0 BIAERN C[C@@H](Cc1ccccn1)c1ccc(Cl)cc1 ZINC000584650234 488020205 /nfs/dbraw/zinc/02/02/05/488020205.db2.gz RYDCSQUAWNKFAA-NSHDSACASA-N 0 0 231.726 4.081 10 0 BIAERN COc1cccc2c1CCC(c1ccccc1)=C2 ZINC000584650286 358305085 /nfs/dbraw/zinc/30/50/85/358305085.db2.gz ZGAAJZUAWLFOCL-UHFFFAOYSA-N 0 0 236.314 4.182 10 0 BIAERN CC/C(=C/c1ccncc1)c1ccc(OC)cc1 ZINC000584650292 358304972 /nfs/dbraw/zinc/30/49/72/358304972.db2.gz ZUVKUOFQCJCLEZ-OWBHPGMISA-N 0 0 239.318 4.041 10 0 BIAERN Cc1cccc(C23CC4CC(CC(C4)C2)C3)c1O ZINC000584650580 358305072 /nfs/dbraw/zinc/30/50/72/358305072.db2.gz ULLTWRHELSNIBM-UHFFFAOYSA-N 0 0 242.362 4.168 10 0 BIAERN CCCCc1cc(Oc2ccccc2)ccn1 ZINC000584650812 358305836 /nfs/dbraw/zinc/30/58/36/358305836.db2.gz BFOZRUINWPPJKN-UHFFFAOYSA-N 0 0 227.307 4.217 10 0 BIAERN c1ccc2c(c1)CCC1(CCCCCC1)O2 ZINC000584651010 358305590 /nfs/dbraw/zinc/30/55/90/358305590.db2.gz LRNXAXCCVSHBMU-UHFFFAOYSA-N 0 0 216.324 4.105 10 0 BIAERN CCCCc1ccc(O)c(Cc2ccccc2)c1 ZINC000584651067 358305642 /nfs/dbraw/zinc/30/56/42/358305642.db2.gz YCODBAWPRWCGNT-UHFFFAOYSA-N 0 0 240.346 4.326 10 0 BIAERN C(=C/C=C/c1cccnc1)\C=C\c1ccccc1 ZINC000584651105 358305624 /nfs/dbraw/zinc/30/56/24/358305624.db2.gz JOVYZADKNMXCJX-TUPFAIRKSA-N 0 0 233.314 4.364 10 0 BIAERN c1ccc2cc(CCc3cccnc3)ccc2c1 ZINC000584651139 358305747 /nfs/dbraw/zinc/30/57/47/358305747.db2.gz WZJUAWCLXAYZIF-UHFFFAOYSA-N 0 0 233.314 4.020 10 0 BIAERN Cc1cccc2c1CCC=C2c1cccs1 ZINC000584651279 358306094 /nfs/dbraw/zinc/30/60/94/358306094.db2.gz OHQGCDDPXDXJRG-UHFFFAOYSA-N 0 0 226.344 4.434 10 0 BIAERN Oc1ccc(C2CC(c3ccccc3)C2)cc1 ZINC000584651305 358306091 /nfs/dbraw/zinc/30/60/91/358306091.db2.gz RGZFNYYPXCJEJZ-UHFFFAOYSA-N 0 0 224.303 4.053 10 0 BIAERN CCC/C=C/C[P@H](=O)OCc1ccccc1 ZINC000584651586 358306126 /nfs/dbraw/zinc/30/61/26/358306126.db2.gz LCPMIPUAQRPMFF-XBXARRHUSA-N 0 0 238.267 4.034 10 0 BIAERN FC(F)=C(Cc1ccccc1)C(F)(F)Cl ZINC000584656841 358308445 /nfs/dbraw/zinc/30/84/45/358308445.db2.gz CVXQUOXIYTWSBT-UHFFFAOYSA-N 0 0 238.611 4.211 10 0 BIAERN Brc1ccc(C2CC2)cc1C1CC1 ZINC000584657048 358309021 /nfs/dbraw/zinc/30/90/21/358309021.db2.gz WYQFXTCHYLACKK-UHFFFAOYSA-N 0 0 237.140 4.204 10 0 BIAERN CCCCO/C(Cl)=C(\F)c1ccccc1 ZINC000584657156 358308577 /nfs/dbraw/zinc/30/85/77/358308577.db2.gz WLDMEMYJFSOTHG-QXMHVHEDSA-N 0 0 228.694 4.338 10 0 BIAERN C/C=C(\SC)SCc1ccccc1 ZINC000584657369 358309372 /nfs/dbraw/zinc/30/93/72/358309372.db2.gz KIRAOPPRQWUTMD-QDEBKDIKSA-N 0 0 210.367 4.144 10 0 BIAERN O[C@H](c1cscc1Cl)C1CCCCC1 ZINC000584657963 490178627 /nfs/dbraw/zinc/17/86/27/490178627.db2.gz TZVBVCMIJYODAO-NSHDSACASA-N 0 0 230.760 4.015 10 0 BIAERN S=c1sc2sssc=2c1=S ZINC000584658181 358310182 /nfs/dbraw/zinc/31/01/82/358310182.db2.gz PBSOJYOHHFXRDB-UHFFFAOYSA-N 0 0 240.446 4.116 10 0 BIAERN CSC(=S)O[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000584658761 398082485 /nfs/dbraw/zinc/08/24/85/398082485.db2.gz OFQWAGFCQCMTFJ-VHSXEESVSA-N 0 0 246.441 4.256 10 0 BIAERN CCCC[C@@]1(SC)CCCCCCO1 ZINC000584659422 387506018 /nfs/dbraw/zinc/50/60/18/387506018.db2.gz HWUSPGAHUHCUHY-GFCCVEGCSA-N 0 0 216.390 4.217 10 0 BIAERN CCCC[C@]1(SC)CCCCCCO1 ZINC000584659425 387505793 /nfs/dbraw/zinc/50/57/93/387505793.db2.gz HWUSPGAHUHCUHY-LBPRGKRZSA-N 0 0 216.390 4.217 10 0 BIAERN CSC(=S)O[C@@H]1CCC[C@H](C)[C@@H]1C(C)C ZINC000584659495 387505937 /nfs/dbraw/zinc/50/59/37/387505937.db2.gz RIVIJEUXAHMDDD-AXFHLTTASA-N 0 0 246.441 4.112 10 0 BIAERN CSC(=S)O[C@@H]1CCC[C@@H](C)[C@H]1C(C)C ZINC000584659501 387505991 /nfs/dbraw/zinc/50/59/91/387505991.db2.gz RIVIJEUXAHMDDD-GMTAPVOTSA-N 0 0 246.441 4.112 10 0 BIAERN CSC(=S)O[C@@H]1CCC[C@H](C)[C@H]1C(C)C ZINC000584659503 387505925 /nfs/dbraw/zinc/50/59/25/387505925.db2.gz RIVIJEUXAHMDDD-HBNTYKKESA-N 0 0 246.441 4.112 10 0 BIAERN CSC(=S)O[C@@H]1CCC[C@@H](C)[C@@H]1C(C)C ZINC000584659505 387505810 /nfs/dbraw/zinc/50/58/10/387505810.db2.gz RIVIJEUXAHMDDD-MXWKQRLJSA-N 0 0 246.441 4.112 10 0 BIAERN C[C@@H](C=C(Cl)Cl)c1ccc(F)cc1 ZINC000584659932 358311875 /nfs/dbraw/zinc/31/18/75/358311875.db2.gz BDNCTLKRKVYZKP-ZETCQYMHSA-N 0 0 219.086 4.248 10 0 BIAERN Fc1ncc(C2CCCCC2)cc1C(F)(F)F ZINC000584880432 343080995 /nfs/dbraw/zinc/08/09/95/343080995.db2.gz BFOCCPMLDQHZKH-UHFFFAOYSA-N 0 0 247.235 4.287 10 0 BIAERN FC1(F)C[C@H](c2ccccc2Cl)C1(F)F ZINC000584880855 343081665 /nfs/dbraw/zinc/08/16/65/343081665.db2.gz IBZLPAIBFYHRGN-SSDOTTSWSA-N 0 0 238.611 4.098 10 0 BIAERN FC1(F)C[C@@H](c2ccccc2Cl)C1(F)F ZINC000584880857 343081609 /nfs/dbraw/zinc/08/16/09/343081609.db2.gz IBZLPAIBFYHRGN-ZETCQYMHSA-N 0 0 238.611 4.098 10 0 BIAERN FC(F)(F)c1cnc(Cl)c(-c2ccco2)c1 ZINC000584881273 343082454 /nfs/dbraw/zinc/08/24/54/343082454.db2.gz ONUGPIALARFBBX-UHFFFAOYSA-N 0 0 247.603 4.014 10 0 BIAERN FC1(F)C[C@H](c2ccc(Cl)cc2)C1(F)F ZINC000584881492 343082522 /nfs/dbraw/zinc/08/25/22/343082522.db2.gz SWSANSXSEDHMPH-MRVPVSSYSA-N 0 0 238.611 4.098 10 0 BIAERN FC1(F)C[C@@H](c2ccc(Cl)cc2)C1(F)F ZINC000584881493 343082513 /nfs/dbraw/zinc/08/25/13/343082513.db2.gz SWSANSXSEDHMPH-QMMMGPOBSA-N 0 0 238.611 4.098 10 0 BIAERN Nc1oc2ccccc2c1C1CCCCC1 ZINC000584881575 343082326 /nfs/dbraw/zinc/08/23/26/343082326.db2.gz WMMKFSNHGPKGGV-UHFFFAOYSA-N 0 0 215.296 4.063 10 0 BIAERN FC(F)(Br)c1ccc(C2CC2)cc1 ZINC000584881920 343082922 /nfs/dbraw/zinc/08/29/22/343082922.db2.gz SZXOMPVEZJMBHX-UHFFFAOYSA-N 0 0 247.082 4.008 10 0 BIAERN C[C@@]12C=CCC[C@@H](C[C@H](c3ccccc3)C1)O2 ZINC000606241650 351404990 /nfs/dbraw/zinc/40/49/90/351404990.db2.gz ONRINQLVTZBSMM-HRCADAONSA-N 0 0 228.335 4.058 10 0 BIAERN FC(F)c1ccnc2c(Cl)ccc(Cl)c12 ZINC000606302209 351554617 /nfs/dbraw/zinc/55/46/17/351554617.db2.gz ALNJOIPIEPGHJI-UHFFFAOYSA-N 0 0 248.059 4.479 10 0 BIAERN Cc1cc(Cl)cc2ccc(C(F)F)nc12 ZINC000606302212 351554741 /nfs/dbraw/zinc/55/47/41/351554741.db2.gz ATFZRNZJCBJIHB-UHFFFAOYSA-N 0 0 227.641 4.134 10 0 BIAERN Cc1ccc(Cl)c2ccc(C(F)F)nc12 ZINC000606302397 372091866 /nfs/dbraw/zinc/09/18/66/372091866.db2.gz DVUKYCSYIZCWCQ-UHFFFAOYSA-N 0 0 227.641 4.134 10 0 BIAERN FC(F)c1ccc2c(Cl)ccc(Cl)c2n1 ZINC000606302647 372092292 /nfs/dbraw/zinc/09/22/92/372092292.db2.gz HOERMGPGWHUCDI-UHFFFAOYSA-N 0 0 248.059 4.479 10 0 BIAERN FC(F)c1ccc2ccc(Cl)c(Cl)c2n1 ZINC000606302683 372092218 /nfs/dbraw/zinc/09/22/18/372092218.db2.gz ILQAWCLNXGTIFO-UHFFFAOYSA-N 0 0 248.059 4.479 10 0 BIAERN FC(F)c1ccnc2c(Cl)c(Cl)ccc12 ZINC000606302684 372091876 /nfs/dbraw/zinc/09/18/76/372091876.db2.gz IQYQEFCSCMSSFY-UHFFFAOYSA-N 0 0 248.059 4.479 10 0 BIAERN Cc1cc(Cl)cc2c(C(F)F)ccnc12 ZINC000606302769 351558468 /nfs/dbraw/zinc/55/84/68/351558468.db2.gz KSHMHAZRXSGKOS-UHFFFAOYSA-N 0 0 227.641 4.134 10 0 BIAERN CC(C)[C@@H](CF)c1ccc(Cl)cc1 ZINC000606302892 372092047 /nfs/dbraw/zinc/09/20/47/372092047.db2.gz AWXWSGZPXULCOX-LLVKDONJSA-N 0 0 200.684 4.049 10 0 BIAERN CC(C)[C@H](CF)c1ccc(Cl)cc1 ZINC000606302893 372092106 /nfs/dbraw/zinc/09/21/06/372092106.db2.gz AWXWSGZPXULCOX-NSHDSACASA-N 0 0 200.684 4.049 10 0 BIAERN Cc1c(Cl)ccc2ccc(C(F)F)nc12 ZINC000606302928 372092225 /nfs/dbraw/zinc/09/22/25/372092225.db2.gz LJXNWPWIPFHGGX-UHFFFAOYSA-N 0 0 227.641 4.134 10 0 BIAERN FC(F)c1ccnc2cc(Cl)cc(Cl)c21 ZINC000606303051 351558583 /nfs/dbraw/zinc/55/85/83/351558583.db2.gz MYMCFTZICDEFRP-UHFFFAOYSA-N 0 0 248.059 4.479 10 0 BIAERN Cc1cc2ccc(C(F)F)nc2cc1Cl ZINC000606303146 372092289 /nfs/dbraw/zinc/09/22/89/372092289.db2.gz ORFKUZORRQCLGI-UHFFFAOYSA-N 0 0 227.641 4.134 10 0 BIAERN CS[C@@H](CCF)c1nc2ccccc2s1 ZINC000606303427 372093422 /nfs/dbraw/zinc/09/34/22/372093422.db2.gz FJAADCNSXTYENT-JTQLQIEISA-N 0 0 241.356 4.060 10 0 BIAERN CS[C@H](CCF)c1nc2ccccc2s1 ZINC000606303432 372093258 /nfs/dbraw/zinc/09/32/58/372093258.db2.gz FJAADCNSXTYENT-SNVBAGLBSA-N 0 0 241.356 4.060 10 0 BIAERN Cc1cc2c(cc1Cl)nccc2C(F)F ZINC000606303489 351559691 /nfs/dbraw/zinc/55/96/91/351559691.db2.gz QJEWLMICDPLZHH-UHFFFAOYSA-N 0 0 227.641 4.134 10 0 BIAERN FC(F)c1ccc2ccc(C(F)(F)F)cc2n1 ZINC000606303595 372092852 /nfs/dbraw/zinc/09/28/52/372092852.db2.gz SOQZQFWYQZFZLI-UHFFFAOYSA-N 0 0 247.166 4.191 10 0 BIAERN Cc1c(Cl)ccc2c(C(F)F)ccnc12 ZINC000606303614 372093388 /nfs/dbraw/zinc/09/33/88/372093388.db2.gz SXPICWJOEJGMAB-UHFFFAOYSA-N 0 0 227.641 4.134 10 0 BIAERN FC(F)c1ccc2c(Cl)cc(Cl)cc2n1 ZINC000606303824 372093199 /nfs/dbraw/zinc/09/31/99/372093199.db2.gz WSVJEFRRRYUSIX-UHFFFAOYSA-N 0 0 248.059 4.479 10 0 BIAERN FC(F)c1ccc2cccc(C(F)(F)F)c2n1 ZINC000606303863 351560036 /nfs/dbraw/zinc/56/00/36/351560036.db2.gz IRWJPCOVLVCDAU-UHFFFAOYSA-N 0 0 247.166 4.191 10 0 BIAERN Cc1ccc(Cl)c2c(C(F)F)ccnc12 ZINC000606303929 372093112 /nfs/dbraw/zinc/09/31/12/372093112.db2.gz YPIKQSBZOPVULG-UHFFFAOYSA-N 0 0 227.641 4.134 10 0 BIAERN COc1ccc2cc(C(F)F)ccc2c1C ZINC000606304213 351564719 /nfs/dbraw/zinc/56/47/19/351564719.db2.gz RXSRNFONNBOJSJ-UHFFFAOYSA-N 0 0 222.234 4.094 10 0 BIAERN FC(F)c1ccc2cc(C(F)(F)F)ccc2n1 ZINC000606304362 386079121 /nfs/dbraw/zinc/07/91/21/386079121.db2.gz XJIKRNUQOYRCLE-UHFFFAOYSA-N 0 0 247.166 4.191 10 0 BIAERN CCc1cc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000616213623 369063169 /nfs/dbraw/zinc/06/31/69/369063169.db2.gz UVKUGLLVPBFKNJ-UHFFFAOYSA-N 0 0 248.329 4.102 10 0 BIAERN COC(C)(C)c1ccccc1Nc1ccccc1 ZINC000616216459 343683618 /nfs/dbraw/zinc/68/36/18/343683618.db2.gz SPMHDOLYEWQABR-UHFFFAOYSA-N 0 0 241.334 4.312 10 0 BIAERN CC(C)(O)c1ccccc1Sc1ccccc1 ZINC000616220321 369063986 /nfs/dbraw/zinc/06/39/86/369063986.db2.gz JTUDNJHVKBZLJM-UHFFFAOYSA-N 0 0 244.359 4.065 10 0 BIAERN CCC(C)(C)C1CCC([S@@](=N)(=O)CC)CC1 ZINC000616568251 347444556 /nfs/dbraw/zinc/44/45/56/347444556.db2.gz HPWHLNPTDCSTEH-PPUFBPAQSA-N 0 0 245.432 4.048 10 0 BIAERN CCC(C)(C)C1CCC([S@](=N)(=O)CC)CC1 ZINC000616568252 347444452 /nfs/dbraw/zinc/44/44/52/347444452.db2.gz HPWHLNPTDCSTEH-ZEPSKSRBSA-N 0 0 245.432 4.048 10 0 BIAERN CCC1CCC([C@H]2CCCCN=C2OC)CC1 ZINC000616568639 344165725 /nfs/dbraw/zinc/16/57/25/344165725.db2.gz DFNLGEWYLIWJNQ-JXQTWKCFSA-N 0 0 237.387 4.048 10 0 BIAERN CCC1CCC([C@@H]2CCCCN=C2OC)CC1 ZINC000616568645 347453573 /nfs/dbraw/zinc/45/35/73/347453573.db2.gz DFNLGEWYLIWJNQ-RUXDESIVSA-N 0 0 237.387 4.048 10 0 BIAERN CC(C)[S@](=N)(=O)C1CCC(C(C)(C)C)CC1 ZINC000616568701 538938226 /nfs/dbraw/zinc/93/82/26/538938226.db2.gz LWIMGTVPURZRSG-PPUFBPAQSA-N 0 0 245.432 4.046 10 0 BIAERN CC(C)[S@@](=N)(=O)C1CCC(C(C)(C)C)CC1 ZINC000616568705 538938084 /nfs/dbraw/zinc/93/80/84/538938084.db2.gz LWIMGTVPURZRSG-ZEPSKSRBSA-N 0 0 245.432 4.046 10 0 BIAERN COC1=NCCCC[C@@H]1C1CCC(C)(C)CC1 ZINC000616569980 347880529 /nfs/dbraw/zinc/88/05/29/347880529.db2.gz PJWMFYJNOLDXFM-CYBMUJFWSA-N 0 0 237.387 4.048 10 0 BIAERN COC1=NCCCC[C@H]1C1CCC(C)(C)CC1 ZINC000616569983 347880819 /nfs/dbraw/zinc/88/08/19/347880819.db2.gz PJWMFYJNOLDXFM-ZDUSSCGKSA-N 0 0 237.387 4.048 10 0 BIAERN CCc1cc(OC(F)(F)F)ccc1C(F)F ZINC000616579489 349164202 /nfs/dbraw/zinc/16/42/02/349164202.db2.gz CUDJIJPRFUGPCO-UHFFFAOYSA-N 0 0 240.171 4.085 10 0 BIAERN CCc1cc(C(F)F)ccc1OC(F)(F)F ZINC000616579814 349190088 /nfs/dbraw/zinc/19/00/88/349190088.db2.gz GXSIXSXOYDDQTH-UHFFFAOYSA-N 0 0 240.171 4.085 10 0 BIAERN CCc1c(OC(F)(F)F)cccc1C(F)F ZINC000616579910 349211987 /nfs/dbraw/zinc/21/19/87/349211987.db2.gz KMVXPRDUVZPQGU-UHFFFAOYSA-N 0 0 240.171 4.085 10 0 BIAERN CCc1cc(OC(F)(F)F)cc(C(F)F)c1 ZINC000616580113 349244606 /nfs/dbraw/zinc/24/46/06/349244606.db2.gz MJSQNPGXNIQLKP-UHFFFAOYSA-N 0 0 240.171 4.085 10 0 BIAERN CCc1ccc(OC(F)(F)F)c(C(F)F)c1 ZINC000616580135 349247239 /nfs/dbraw/zinc/24/72/39/349247239.db2.gz NJIXFDYASFAUIM-UHFFFAOYSA-N 0 0 240.171 4.085 10 0 BIAERN CCc1ccc(OC(F)(F)F)cc1C(F)F ZINC000616580163 349248710 /nfs/dbraw/zinc/24/87/10/349248710.db2.gz PAXZNOHZCJNTET-UHFFFAOYSA-N 0 0 240.171 4.085 10 0 BIAERN CCc1cccc(OC(F)(F)F)c1C(F)F ZINC000616580166 349248666 /nfs/dbraw/zinc/24/86/66/349248666.db2.gz PDWDTQKCDHLVIK-UHFFFAOYSA-N 0 0 240.171 4.085 10 0 BIAERN CCc1ccc(C(F)F)c(OC(F)(F)F)c1 ZINC000616580174 349248210 /nfs/dbraw/zinc/24/82/10/349248210.db2.gz PSZOREACISWRLR-UHFFFAOYSA-N 0 0 240.171 4.085 10 0 BIAERN CCc1ccc(C(F)F)cc1OC(F)(F)F ZINC000616580454 349257580 /nfs/dbraw/zinc/25/75/80/349257580.db2.gz UHVRVGHDHQDMHV-UHFFFAOYSA-N 0 0 240.171 4.085 10 0 BIAERN CCc1cccc(C(F)F)c1OC(F)(F)F ZINC000616580509 349256192 /nfs/dbraw/zinc/25/61/92/349256192.db2.gz XGSDIIOBPLLNCI-UHFFFAOYSA-N 0 0 240.171 4.085 10 0 BIAERN Cc1cc2cc(-c3ccc(F)cc3)cn2c(C)c1 ZINC000616581790 349287310 /nfs/dbraw/zinc/28/73/10/349287310.db2.gz DNSQDUYYZCBBNN-UHFFFAOYSA-N 0 0 239.293 4.362 10 0 BIAERN CC(C)[C@@H]1CCN(C(C)(C)C)c2ccccc21 ZINC000616584532 349344659 /nfs/dbraw/zinc/34/46/59/349344659.db2.gz BEQIHIIRTQLVOC-ZDUSSCGKSA-N 0 0 231.383 4.435 10 0 BIAERN CC(C)(C)[C@@H]1CN(C(C)(C)C)c2ccccc2N1 ZINC000616584903 349362848 /nfs/dbraw/zinc/36/28/48/349362848.db2.gz SIQQQTINNLFVKT-AWEZNQCLSA-N 0 0 246.398 4.132 10 0 BIAERN CC(C)(C)[C@H]1CN(C(C)(C)C)c2ccccc2N1 ZINC000616584915 369096845 /nfs/dbraw/zinc/09/68/45/369096845.db2.gz SIQQQTINNLFVKT-CQSZACIVSA-N 0 0 246.398 4.132 10 0 BIAERN CC[C@@H]1CCN(C(C)(C)C)c2ccccc21 ZINC000616587425 349425889 /nfs/dbraw/zinc/42/58/89/349425889.db2.gz QSKIVKSNXLVRJM-GFCCVEGCSA-N 0 0 217.356 4.189 10 0 BIAERN Fc1ncc(Cc2cccc3ccccc32)s1 ZINC000616588047 349469161 /nfs/dbraw/zinc/46/91/61/349469161.db2.gz BSVIFINFHCHQQC-UHFFFAOYSA-N 0 0 243.306 4.026 10 0 BIAERN CC(C)(C)N1CC[C@@H](C(F)F)c2ccccc21 ZINC000616588123 349488078 /nfs/dbraw/zinc/48/80/78/349488078.db2.gz UCIZMQFXJJHTIP-LLVKDONJSA-N 0 0 239.309 4.044 10 0 BIAERN CC(C)N1CC[C@@H](C(C)(C)C)c2ccccc21 ZINC000616588353 369096633 /nfs/dbraw/zinc/09/66/33/369096633.db2.gz VIWIUYWVYPNIFN-CQSZACIVSA-N 0 0 231.383 4.435 10 0 BIAERN CC(C)[C@H]1CCN(C(C)(C)C)c2ccccc21 ZINC000616588508 349496706 /nfs/dbraw/zinc/49/67/06/349496706.db2.gz BEQIHIIRTQLVOC-CYBMUJFWSA-N 0 0 231.383 4.435 10 0 BIAERN CCN1CC[C@@H](C(C)(C)C)c2ccccc21 ZINC000616588982 349519895 /nfs/dbraw/zinc/51/98/95/349519895.db2.gz ZTARYDMUGYLSIY-CYBMUJFWSA-N 0 0 217.356 4.046 10 0 BIAERN CC[C@H]1CCN(C(C)(C)C)c2ccccc21 ZINC000616590741 369099142 /nfs/dbraw/zinc/09/91/42/369099142.db2.gz QSKIVKSNXLVRJM-LBPRGKRZSA-N 0 0 217.356 4.189 10 0 BIAERN CC(C)(C)N1CC[C@H](C(F)F)c2ccccc21 ZINC000616590823 369099258 /nfs/dbraw/zinc/09/92/58/369099258.db2.gz UCIZMQFXJJHTIP-NSHDSACASA-N 0 0 239.309 4.044 10 0 BIAERN CC(C)N1CC[C@H](C(C)(C)C)c2ccccc21 ZINC000616591035 350065069 /nfs/dbraw/zinc/06/50/69/350065069.db2.gz VIWIUYWVYPNIFN-AWEZNQCLSA-N 0 0 231.383 4.435 10 0 BIAERN CCN1CC[C@H](C(C)(C)C)c2ccccc21 ZINC000616591182 350081932 /nfs/dbraw/zinc/08/19/32/350081932.db2.gz ZTARYDMUGYLSIY-ZDUSSCGKSA-N 0 0 217.356 4.046 10 0 BIAERN CC(C)[C@@H]1CCc2ccccc2N1C(C)(C)C ZINC000616593991 350584552 /nfs/dbraw/zinc/58/45/52/350584552.db2.gz MYTWRBHUUBTSON-AWEZNQCLSA-N 0 0 231.383 4.262 10 0 BIAERN CC(C)[C@H]1CCc2ccccc2N1C(C)(C)C ZINC000616594531 350596040 /nfs/dbraw/zinc/59/60/40/350596040.db2.gz MYTWRBHUUBTSON-CQSZACIVSA-N 0 0 231.383 4.262 10 0 BIAERN CC[C@@H]1CCc2ccccc2N1C(C)(C)C ZINC000616594818 350596944 /nfs/dbraw/zinc/59/69/44/350596944.db2.gz SBYJDBXPAPHTHS-CYBMUJFWSA-N 0 0 217.356 4.016 10 0 BIAERN CC(C)N1c2ccccc2CC[C@H]1C(C)(C)C ZINC000616594939 350596338 /nfs/dbraw/zinc/59/63/38/350596338.db2.gz SVKMFPYHVMBMAX-HNNXBMFYSA-N 0 0 231.383 4.262 10 0 BIAERN CC[C@H]1CCc2ccccc2N1C(C)(C)C ZINC000616595862 350611764 /nfs/dbraw/zinc/61/17/64/350611764.db2.gz SBYJDBXPAPHTHS-ZDUSSCGKSA-N 0 0 217.356 4.016 10 0 BIAERN CC(C)N1c2ccccc2CC[C@@H]1C(C)(C)C ZINC000616596396 350634261 /nfs/dbraw/zinc/63/42/61/350634261.db2.gz SVKMFPYHVMBMAX-OAHLLOKOSA-N 0 0 231.383 4.262 10 0 BIAERN C[C@H]1CCc2ccccc2N1Cc1ccccc1 ZINC000616666973 351227310 /nfs/dbraw/zinc/22/73/10/351227310.db2.gz BPVAPJFYUKNWQA-AWEZNQCLSA-N 0 0 237.346 4.028 10 0 BIAERN C[C@@H]1CCc2ccccc2N1Cc1ccccc1 ZINC000616667000 351227508 /nfs/dbraw/zinc/22/75/08/351227508.db2.gz BPVAPJFYUKNWQA-CQSZACIVSA-N 0 0 237.346 4.028 10 0 BIAERN Clc1cccc([C@H]2CNc3ccccc3C2)c1 ZINC000616667534 351225011 /nfs/dbraw/zinc/22/50/11/351225011.db2.gz CYXCFUSVAKNMFA-CYBMUJFWSA-N 0 0 243.737 4.092 10 0 BIAERN Clc1cccc([C@@H]2CNc3ccccc3C2)c1 ZINC000616667834 351224796 /nfs/dbraw/zinc/22/47/96/351224796.db2.gz CYXCFUSVAKNMFA-ZDUSSCGKSA-N 0 0 243.737 4.092 10 0 BIAERN Clc1ccccc1[C@H]1CNc2ccccc2C1 ZINC000616669097 351228093 /nfs/dbraw/zinc/22/80/93/351228093.db2.gz ODNKGXXOLBFSNV-GFCCVEGCSA-N 0 0 243.737 4.092 10 0 BIAERN Clc1ccccc1[C@@H]1CNc2ccccc2C1 ZINC000616669889 351229777 /nfs/dbraw/zinc/22/97/77/351229777.db2.gz ODNKGXXOLBFSNV-LBPRGKRZSA-N 0 0 243.737 4.092 10 0 BIAERN CC(C)[C@@H]1Cc2ccccc2N(C(C)(C)C)C1 ZINC000616670957 351230848 /nfs/dbraw/zinc/23/08/48/351230848.db2.gz CCPJSZRAFZGIKB-CQSZACIVSA-N 0 0 231.383 4.120 10 0 BIAERN CC(C)[C@H]1Cc2ccccc2N(C(C)(C)C)C1 ZINC000616671347 351231717 /nfs/dbraw/zinc/23/17/17/351231717.db2.gz CCPJSZRAFZGIKB-AWEZNQCLSA-N 0 0 231.383 4.120 10 0 BIAERN CC(C)N1C[C@H](C(C)(C)C)Cc2ccccc21 ZINC000616672157 351235264 /nfs/dbraw/zinc/23/52/64/351235264.db2.gz JOIPBPKINAGFFK-CQSZACIVSA-N 0 0 231.383 4.120 10 0 BIAERN CC(C)N1C[C@@H](C(C)(C)C)Cc2ccccc21 ZINC000616672385 351235986 /nfs/dbraw/zinc/23/59/86/351235986.db2.gz JOIPBPKINAGFFK-AWEZNQCLSA-N 0 0 231.383 4.120 10 0 BIAERN F[C@H]1CCN(Cc2ccccc2)c2ccccc21 ZINC000616673729 351237881 /nfs/dbraw/zinc/23/78/81/351237881.db2.gz DZMNAHMFOZSQKH-HNNXBMFYSA-N 0 0 241.309 4.108 10 0 BIAERN F[C@@H]1CCN(Cc2ccccc2)c2ccccc21 ZINC000616674074 351237910 /nfs/dbraw/zinc/23/79/10/351237910.db2.gz DZMNAHMFOZSQKH-OAHLLOKOSA-N 0 0 241.309 4.108 10 0 BIAERN CC(=O)c1cncc(-c2cccc(C(C)C)c2)c1 ZINC000623167895 352933579 /nfs/dbraw/zinc/93/35/79/352933579.db2.gz KIXGIPWEMUIBBU-UHFFFAOYSA-N 0 0 239.318 4.075 10 0 BIAERN Cc1ccc(C[NH2+][C@H](C)c2cccs2)c(F)c1 ZINC000631034504 370981501 /nfs/dbraw/zinc/98/15/01/370981501.db2.gz WFCNLLJHEGRQQE-LLVKDONJSA-N 0 0 249.354 4.046 10 0 BIAERN Cc1ccc(C[NH2+][C@@H](C)c2cccs2)c(F)c1 ZINC000631034510 370981474 /nfs/dbraw/zinc/98/14/74/370981474.db2.gz WFCNLLJHEGRQQE-NSHDSACASA-N 0 0 249.354 4.046 10 0 BIAERN CCOC(C/C=C(/C)CCC=C(C)C)OCC ZINC000642719120 398121663 /nfs/dbraw/zinc/12/16/63/398121663.db2.gz BCYITJRDESVSTD-KAMYIIQDSA-N 0 0 240.387 4.468 10 0 BIAERN Cc1cc(C(C)C)nc2cc(F)c(Cl)cc12 ZINC000669371888 537949080 /nfs/dbraw/zinc/94/90/80/537949080.db2.gz AOVVMYLGSPILRG-UHFFFAOYSA-N 0 0 237.705 4.459 10 0 BIAERN Cc1cc(C(F)F)nc2cc(F)c(Cl)cc12 ZINC000669371958 537948619 /nfs/dbraw/zinc/94/86/19/537948619.db2.gz CLLUZQFPBVNIQM-UHFFFAOYSA-N 0 0 245.631 4.273 10 0 BIAERN Cc1cc(C(C)C)nc2cc(Cl)c(F)cc12 ZINC000669371972 537948420 /nfs/dbraw/zinc/94/84/20/537948420.db2.gz DXTGLHWXSIJYDP-UHFFFAOYSA-N 0 0 237.705 4.459 10 0 BIAERN CCc1cc(C(C)C)nc2cc(F)ccc12 ZINC000669371984 537948192 /nfs/dbraw/zinc/94/81/92/537948192.db2.gz FRZHOECYLDWANT-UHFFFAOYSA-N 0 0 217.287 4.060 10 0 BIAERN CCc1cc(C(C)C)nc2ccc(F)cc12 ZINC000669371994 537949185 /nfs/dbraw/zinc/94/91/85/537949185.db2.gz GMLOLCRHJGSOFX-UHFFFAOYSA-N 0 0 217.287 4.060 10 0 BIAERN Cc1c(C)c(C(C)C)nc2cc(F)ccc12 ZINC000669372101 537949052 /nfs/dbraw/zinc/94/90/52/537949052.db2.gz JDYUCZXDBDMLON-UHFFFAOYSA-N 0 0 217.287 4.114 10 0 BIAERN Cc1cc2nc(C(C)C)cc(C)c2cc1F ZINC000669372226 537949655 /nfs/dbraw/zinc/94/96/55/537949655.db2.gz IRLZQSLUNJYEHG-UHFFFAOYSA-N 0 0 217.287 4.114 10 0 BIAERN Cc1c(C)c(C(C)C)nc2ccc(F)cc12 ZINC000669372382 636548579 /nfs/dbraw/zinc/54/85/79/636548579.db2.gz PEZYWCJUPWYFIV-UHFFFAOYSA-N 0 0 217.287 4.114 10 0 BIAERN CCc1nc2cc(F)c(Cl)cc2c(C)c1C ZINC000669372406 636549707 /nfs/dbraw/zinc/54/97/07/636549707.db2.gz OFWZUVWRECAGBL-UHFFFAOYSA-N 0 0 237.705 4.207 10 0 BIAERN Cc1cc2c(C)cc(C(C)C)nc2cc1F ZINC000669372554 636547807 /nfs/dbraw/zinc/54/78/07/636547807.db2.gz RSQABTKTDXRQEM-UHFFFAOYSA-N 0 0 217.287 4.114 10 0 BIAERN CCc1nc2cc(Cl)c(F)cc2c(C)c1C ZINC000669372580 636548791 /nfs/dbraw/zinc/54/87/91/636548791.db2.gz SLQNIOHAWABRTA-UHFFFAOYSA-N 0 0 237.705 4.207 10 0 BIAERN Cc1cc(C(F)F)nc2cc(Cl)c(F)cc12 ZINC000669372764 537950220 /nfs/dbraw/zinc/95/02/20/537950220.db2.gz ZRWHGHUMAVYFJF-UHFFFAOYSA-N 0 0 245.631 4.273 10 0 BIAERN Cc1cc(-c2cscc2C(F)F)cc(F)n1 ZINC000669378761 537973803 /nfs/dbraw/zinc/97/38/03/537973803.db2.gz LVCRWLJXTZCVNJ-UHFFFAOYSA-N 0 0 243.253 4.195 10 0 BIAERN Fc1ccccc1-c1cc(Cl)ccc1F ZINC000669379489 537978977 /nfs/dbraw/zinc/97/89/77/537978977.db2.gz CZGJWRAUCPMLFT-UHFFFAOYSA-N 0 0 224.637 4.285 10 0 BIAERN Fc1cccc(-c2cccc(Cl)c2F)c1 ZINC000669379514 537979318 /nfs/dbraw/zinc/97/93/18/537979318.db2.gz DOKDHPOGQHZODW-UHFFFAOYSA-N 0 0 224.637 4.285 10 0 BIAERN Fc1ccccc1-c1cccc(Cl)c1F ZINC000669379536 537979752 /nfs/dbraw/zinc/97/97/52/537979752.db2.gz DVGQNSJHIRAMSW-UHFFFAOYSA-N 0 0 224.637 4.285 10 0 BIAERN CCNc1ccc(-c2cccc(Cl)c2)cc1 ZINC000669379773 537982028 /nfs/dbraw/zinc/98/20/28/537982028.db2.gz CKTMFRRCCDXEPK-UHFFFAOYSA-N 0 0 231.726 4.439 10 0 BIAERN Fc1cccc(-c2ccc(Cl)cc2F)c1 ZINC000669380420 537989376 /nfs/dbraw/zinc/98/93/76/537989376.db2.gz MHSHWUFWXGUKSP-UHFFFAOYSA-N 0 0 224.637 4.285 10 0 BIAERN Fc1ccccc1-c1ccc(Cl)cc1F ZINC000669380443 537990076 /nfs/dbraw/zinc/99/00/76/537990076.db2.gz MOQVZTDBCXTXKH-UHFFFAOYSA-N 0 0 224.637 4.285 10 0 BIAERN CCNc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000669380594 636580971 /nfs/dbraw/zinc/58/09/71/636580971.db2.gz RSKTZYVMBCDCGE-UHFFFAOYSA-N 0 0 231.726 4.439 10 0 BIAERN Fc1ccc(-c2ccccc2F)cc1Cl ZINC000669380636 541437013 /nfs/dbraw/zinc/43/70/13/541437013.db2.gz OHCCMDPHSOOLDE-UHFFFAOYSA-N 0 0 224.637 4.285 10 0 BIAERN Fc1cccc(-c2cc(Cl)ccc2F)c1 ZINC000669380962 537992460 /nfs/dbraw/zinc/99/24/60/537992460.db2.gz UJGOLCWXZLNLEE-UHFFFAOYSA-N 0 0 224.637 4.285 10 0 BIAERN CC1(C)CCC(=Cc2ccc(C=O)cc2)CC1 ZINC000675051150 538474033 /nfs/dbraw/zinc/47/40/33/538474033.db2.gz BQFVMVMBZVXGQA-UHFFFAOYSA-N 0 0 228.335 4.483 10 0 BIAERN O=Cc1ccc(C=C2CCC(F)(F)CC2)cc1 ZINC000675051188 538474023 /nfs/dbraw/zinc/47/40/23/538474023.db2.gz CQSYWZWKMMNZRE-UHFFFAOYSA-N 0 0 236.261 4.092 10 0 BIAERN O=Cc1cccc(C=C2CCCCCC2)c1 ZINC000675051236 538473927 /nfs/dbraw/zinc/47/39/27/538473927.db2.gz FTNAUDVPESQONR-UHFFFAOYSA-N 0 0 214.308 4.237 10 0 BIAERN O=Cc1sccc1C=C1CCCCCC1 ZINC000675051499 538474721 /nfs/dbraw/zinc/47/47/21/538474721.db2.gz MJMABSHHVOSEFP-UHFFFAOYSA-N 0 0 220.337 4.298 10 0 BIAERN O=Cc1cc(C=C2CCCCCC2)cs1 ZINC000675051545 538475375 /nfs/dbraw/zinc/47/53/75/538475375.db2.gz NNHBRGBZXZXHTD-UHFFFAOYSA-N 0 0 220.337 4.298 10 0 BIAERN O=Cc1ccc(C=C2CCCCCC2)cc1 ZINC000675051636 538474901 /nfs/dbraw/zinc/47/49/01/538474901.db2.gz QBKLQBYFYIMCHS-UHFFFAOYSA-N 0 0 214.308 4.237 10 0 BIAERN O=Cc1ccc(C=C2CCCCCC2)cc1F ZINC000675051793 538475367 /nfs/dbraw/zinc/47/53/67/538475367.db2.gz UFAIQCOZXBWPAB-UHFFFAOYSA-N 0 0 232.298 4.376 10 0 BIAERN O=Cc1cccc(C=C2CCCCCC2)c1F ZINC000675051886 566374982 /nfs/dbraw/zinc/37/49/82/566374982.db2.gz WJWSHAGRZGUCDZ-UHFFFAOYSA-N 0 0 232.298 4.376 10 0 BIAERN CC(C)c1oc(C2CCCCC2)cc1C=O ZINC000675052645 537964318 /nfs/dbraw/zinc/96/43/18/537964318.db2.gz CBALBEBVSGTJIE-UHFFFAOYSA-N 0 0 220.312 4.263 10 0 BIAERN O=Cc1cc(C2CCCCC2)oc1C1CC1 ZINC000675052791 583916396 /nfs/dbraw/zinc/91/63/96/583916396.db2.gz FHASDWLJQATKAV-UHFFFAOYSA-N 0 0 218.296 4.017 10 0 BIAERN O=Cc1cc(C2CCCC2)oc1C1CCC1 ZINC000675052974 537861122 /nfs/dbraw/zinc/86/11/22/537861122.db2.gz CZWVNDRUZTZLSF-UHFFFAOYSA-N 0 0 218.296 4.017 10 0 BIAERN O=Cc1cc(C2CCCCC2)oc1C1CCC1 ZINC000675053200 537862496 /nfs/dbraw/zinc/86/24/96/537862496.db2.gz FWTHLSVJTLAQAJ-UHFFFAOYSA-N 0 0 232.323 4.407 10 0 BIAERN CCC(C)(C)c1cc(C=O)c(C2CCC2)o1 ZINC000675053212 537862242 /nfs/dbraw/zinc/86/22/42/537862242.db2.gz GBXQNGQRGSNLNX-UHFFFAOYSA-N 0 0 220.312 4.047 10 0 BIAERN Fc1cccc(-c2ccc3c(c2)C=CC3)c1 ZINC000675053430 537866634 /nfs/dbraw/zinc/86/66/34/537866634.db2.gz KDSLEYKXIBYXDY-UHFFFAOYSA-N 0 0 210.251 4.062 10 0 BIAERN CC(C)(C)c1oc(C2CCCCC2)cc1C=O ZINC000675053558 537885192 /nfs/dbraw/zinc/88/51/92/537885192.db2.gz JAXPECKXZGNRBW-UHFFFAOYSA-N 0 0 234.339 4.437 10 0 BIAERN CC(=O)c1ccc(-c2ccc3c(c2)C=CC3)cc1 ZINC000675053873 583928991 /nfs/dbraw/zinc/92/89/91/583928991.db2.gz PBGJGRVBJOWNGV-UHFFFAOYSA-N 0 0 234.298 4.126 10 0 BIAERN CC(=O)c1cccc(-c2ccc3c(c2)C=CC3)c1 ZINC000675053882 541433190 /nfs/dbraw/zinc/43/31/90/541433190.db2.gz PLTVBXWWQFDZJE-UHFFFAOYSA-N 0 0 234.298 4.126 10 0 BIAERN CCCc1oc(C2CCCCC2)cc1C=O ZINC000675054008 537891237 /nfs/dbraw/zinc/89/12/37/537891237.db2.gz LGECVNNOUWXPOG-UHFFFAOYSA-N 0 0 220.312 4.092 10 0 BIAERN Fc1ccc(-c2ccc3c(c2)C=CC3)cc1 ZINC000675054325 541434103 /nfs/dbraw/zinc/43/41/03/541434103.db2.gz RZGHGROWPODTPS-UHFFFAOYSA-N 0 0 210.251 4.062 10 0 BIAERN CCC(C)(C)c1cc(C=O)c(C(C)(C)C)o1 ZINC000675054473 537895073 /nfs/dbraw/zinc/89/50/73/537895073.db2.gz NRYVWDQXLIOYNQ-UHFFFAOYSA-N 0 0 222.328 4.077 10 0 BIAERN O=Cc1cc(C2CCCCC2)oc1C(F)F ZINC000675054544 583944275 /nfs/dbraw/zinc/94/42/75/583944275.db2.gz WDVRONWLYLWKPC-UHFFFAOYSA-N 0 0 228.238 4.077 10 0 BIAERN Fc1cccc(-c2ccc3c(c2)C=CC3)c1F ZINC000675054663 537956181 /nfs/dbraw/zinc/95/61/81/537956181.db2.gz XUEWGGPKUFJEJV-UHFFFAOYSA-N 0 0 228.241 4.201 10 0 BIAERN CC(C)(C)c1oc(C2CCCC2)cc1C=O ZINC000675055416 538475937 /nfs/dbraw/zinc/47/59/37/538475937.db2.gz RXZHNVJKJGCBKQ-UHFFFAOYSA-N 0 0 220.312 4.047 10 0 BIAERN Cc1ccc(-c2ccc(F)cc2C)cc1F ZINC000675055872 538476798 /nfs/dbraw/zinc/47/67/98/538476798.db2.gz ARYDGLZEQVMUGE-UHFFFAOYSA-N 0 0 218.246 4.249 10 0 BIAERN Cc1sccc1-c1ccc(F)cc1C ZINC000675056414 538478304 /nfs/dbraw/zinc/47/83/04/538478304.db2.gz PSXFXHYKVIRTHD-UHFFFAOYSA-N 0 0 206.285 4.171 10 0 BIAERN Cc1cc(-c2ccc(F)cc2C)cs1 ZINC000675056904 538479467 /nfs/dbraw/zinc/47/94/67/538479467.db2.gz YTFGVXSRSGLBGY-UHFFFAOYSA-N 0 0 206.285 4.171 10 0 BIAERN CCCC[C@H](C)c1ccsc1C(=O)OCC ZINC000675057662 538479867 /nfs/dbraw/zinc/47/98/67/538479867.db2.gz HOELYWYBWKGSHI-JTQLQIEISA-N 0 0 240.368 4.219 10 0 BIAERN CCCC[C@@H](C)c1ccsc1C(=O)OCC ZINC000675057663 538480134 /nfs/dbraw/zinc/48/01/34/538480134.db2.gz HOELYWYBWKGSHI-SNVBAGLBSA-N 0 0 240.368 4.219 10 0 BIAERN CCOC(=O)c1sccc1[C@@H](C)CC(C)C ZINC000675058095 538480838 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BIAERN Cc1ccc(F)c(-c2cc(C)c(C=O)cc2C)c1 ZINC000675073481 538506122 /nfs/dbraw/zinc/50/61/22/538506122.db2.gz YQCPXGSJPKVAHV-UHFFFAOYSA-N 0 0 242.293 4.230 10 0 BIAERN Cc1cc(-c2cc(F)ccc2C)c(C)cc1C=O ZINC000675073488 538505595 /nfs/dbraw/zinc/50/55/95/538505595.db2.gz YUKWMZHPJAQMJQ-UHFFFAOYSA-N 0 0 242.293 4.230 10 0 BIAERN CC(=O)c1ccc(-c2nc(C(C)C)cs2)cc1 ZINC000675078843 538516660 /nfs/dbraw/zinc/51/66/60/538516660.db2.gz ADXWCVBLNQYUQF-UHFFFAOYSA-N 0 0 245.347 4.136 10 0 BIAERN CC(=O)c1cccc(-c2nc(C(C)C)cs2)c1 ZINC000675079061 538517435 /nfs/dbraw/zinc/51/74/35/538517435.db2.gz DXRXIFYJETUTID-UHFFFAOYSA-N 0 0 245.347 4.136 10 0 BIAERN CC(C)c1csc(-c2cnc(Cl)s2)n1 ZINC000675079963 538519692 /nfs/dbraw/zinc/51/96/92/538519692.db2.gz KFRYXKCAJNNAHS-UHFFFAOYSA-N 0 0 244.772 4.043 10 0 BIAERN Cc1ccc(C=C2CCCCC2)cc1F ZINC000675080031 538519696 /nfs/dbraw/zinc/51/96/96/538519696.db2.gz LEYAOFRVJFZAGV-UHFFFAOYSA-N 0 0 204.288 4.482 10 0 BIAERN CC(C)c1csc(-c2cccc(F)c2F)n1 ZINC000675080166 641341563 /nfs/dbraw/zinc/34/15/63/641341563.db2.gz NUGZAVIDIKWRBM-UHFFFAOYSA-N 0 0 239.290 4.212 10 0 BIAERN CCCC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000675080355 541468307 /nfs/dbraw/zinc/46/83/07/541468307.db2.gz CMOWTHMCDOMTIZ-UHFFFAOYSA-N 0 0 216.280 4.032 10 0 BIAERN CC(C)C(=O)c1cc2c(ccc(Cl)c2F)o1 ZINC000675081081 538521479 /nfs/dbraw/zinc/52/14/79/538521479.db2.gz FTKDPHBHJGPCKD-UHFFFAOYSA-N 0 0 240.661 4.064 10 0 BIAERN Cc1cc2oc(C(=O)C(C)C)cc2cc1Cl ZINC000675081102 538519932 /nfs/dbraw/zinc/51/99/32/538519932.db2.gz GSDZKNSHJQICKK-UHFFFAOYSA-N 0 0 236.698 4.233 10 0 BIAERN CC(C)CC(=O)c1cc2c(cccc2Cl)o1 ZINC000675081162 538521476 /nfs/dbraw/zinc/52/14/76/538521476.db2.gz KJPSPDOQWUCQNU-UHFFFAOYSA-N 0 0 236.698 4.315 10 0 BIAERN CCCC(=O)c1cc2c(cccc2Cl)o1 ZINC000675081185 583200892 /nfs/dbraw/zinc/20/08/92/583200892.db2.gz KZULYXDZMZBLNS-UHFFFAOYSA-N 0 0 222.671 4.069 10 0 BIAERN CCCC(=O)c1cc2c(cc(C)cc2Cl)o1 ZINC000675081219 538522466 /nfs/dbraw/zinc/52/24/66/538522466.db2.gz MPCVHBBCEJJNMJ-UHFFFAOYSA-N 0 0 236.698 4.377 10 0 BIAERN Cc1cc2oc(C(=O)C(C)C)cc2c(Cl)c1 ZINC000675081230 538522214 /nfs/dbraw/zinc/52/22/14/538522214.db2.gz NBWZJGGRNGYIHV-UHFFFAOYSA-N 0 0 236.698 4.233 10 0 BIAERN CCCC(=O)c1cc2c(ccc(Cl)c2F)o1 ZINC000675081267 538521756 /nfs/dbraw/zinc/52/17/56/538521756.db2.gz OQWFDNAFRYWONO-UHFFFAOYSA-N 0 0 240.661 4.208 10 0 BIAERN CCCC(=O)c1cc2cc(Cl)c(C)cc2o1 ZINC000675081324 538521822 /nfs/dbraw/zinc/52/18/22/538521822.db2.gz QZUQRILXDRZFDG-UHFFFAOYSA-N 0 0 236.698 4.377 10 0 BIAERN O=Cc1ccccc1-c1cscc1C(F)F ZINC000675081523 538522810 /nfs/dbraw/zinc/52/28/10/538522810.db2.gz GCNVCAUMSZVRPA-UHFFFAOYSA-N 0 0 238.258 4.165 10 0 BIAERN O=Cc1csc(-c2cscc2C(F)F)c1 ZINC000675081693 538522352 /nfs/dbraw/zinc/52/23/52/538522352.db2.gz IKBLCIHJMLHGJJ-UHFFFAOYSA-N 0 0 244.287 4.227 10 0 BIAERN O=Cc1cccc(-c2cscc2C(F)F)c1 ZINC000675081703 538522760 /nfs/dbraw/zinc/52/27/60/538522760.db2.gz ISNFRDIURJFMSH-UHFFFAOYSA-N 0 0 238.258 4.165 10 0 BIAERN CC(=O)c1ccc(-c2cscc2C(F)F)o1 ZINC000675081721 538522241 /nfs/dbraw/zinc/52/22/41/538522241.db2.gz KBAWXGGFVRZGLW-UHFFFAOYSA-N 0 0 242.246 4.148 10 0 BIAERN O=Cc1ccc(-c2cscc2C(F)F)cc1 ZINC000675081752 538522799 /nfs/dbraw/zinc/52/27/99/538522799.db2.gz KPTVDDFVHOVCIW-UHFFFAOYSA-N 0 0 238.258 4.165 10 0 BIAERN O=Cc1ccc(-c2cscc2C(F)F)s1 ZINC000675081797 538522225 /nfs/dbraw/zinc/52/22/25/538522225.db2.gz MBDKDOYGFCWSDA-UHFFFAOYSA-N 0 0 244.287 4.227 10 0 BIAERN O=C(CC1CC1)c1cc2c(cccc2Cl)o1 ZINC000675081900 538523487 /nfs/dbraw/zinc/52/34/87/538523487.db2.gz YWPQOJGGITVKRI-UHFFFAOYSA-N 0 0 234.682 4.069 10 0 BIAERN O=Cc1cscc1-c1cscc1C(F)F ZINC000675082041 538522226 /nfs/dbraw/zinc/52/22/26/538522226.db2.gz RPPNTGWVXLHBLN-UHFFFAOYSA-N 0 0 244.287 4.227 10 0 BIAERN CC(=O)c1sccc1-c1cccc(Cl)c1 ZINC000675082537 538522994 /nfs/dbraw/zinc/52/29/94/538522994.db2.gz JRKBTGRWBLPKOJ-UHFFFAOYSA-N 0 0 236.723 4.271 10 0 BIAERN CC1(C)CCC(=C(F)Br)CC1 ZINC000685946660 538886295 /nfs/dbraw/zinc/88/62/95/538886295.db2.gz BFNZTKUNKALCAK-UHFFFAOYSA-N 0 0 221.113 4.163 10 0 BIAERN C[C@H]1CC/C(=C(/F)Br)C[C@@H]1C ZINC000685946856 538888068 /nfs/dbraw/zinc/88/80/68/538888068.db2.gz DHNKPRBQFRVNPS-CMQPYUFFSA-N 0 0 221.113 4.019 10 0 BIAERN C[C@@H]1C/C(=C(\F)Br)CC[C@@H]1C ZINC000685946857 538888307 /nfs/dbraw/zinc/88/83/07/538888307.db2.gz DHNKPRBQFRVNPS-KNJDTQEKSA-N 0 0 221.113 4.019 10 0 BIAERN C[C@@H]1CC/C(=C(/F)Br)C[C@@H]1C ZINC000685946858 538887920 /nfs/dbraw/zinc/88/79/20/538887920.db2.gz DHNKPRBQFRVNPS-PNZIDKJXSA-N 0 0 221.113 4.019 10 0 BIAERN C[C@@H]1CC/C(=C(/F)Br)C[C@H]1C ZINC000685946859 538888195 /nfs/dbraw/zinc/88/81/95/538888195.db2.gz DHNKPRBQFRVNPS-UUBYVHIUSA-N 0 0 221.113 4.019 10 0 BIAERN C[C@@H]1CC(=C(F)Br)C[C@@H](C)C1 ZINC000685947232 538888642 /nfs/dbraw/zinc/88/86/42/538888642.db2.gz HQXALQFOWPDVSK-BQBZGAKWSA-N 0 0 221.113 4.019 10 0 BIAERN C[C@H]1CC(=C(F)Br)C[C@@H](C)C1 ZINC000685947233 541396523 /nfs/dbraw/zinc/39/65/23/541396523.db2.gz HQXALQFOWPDVSK-KNVOCYPGSA-N 0 0 221.113 4.019 10 0 BIAERN C[C@H]1CC(=C(F)Br)C[C@H](C)C1 ZINC000685947234 538888679 /nfs/dbraw/zinc/88/86/79/538888679.db2.gz HQXALQFOWPDVSK-RNFRBKRXSA-N 0 0 221.113 4.019 10 0 BIAERN CC(C)C1CCC(=C(F)Br)CC1 ZINC000685947803 538889557 /nfs/dbraw/zinc/88/95/57/538889557.db2.gz QACJFMGMTABONZ-UHFFFAOYSA-N 0 0 235.140 4.409 10 0 BIAERN CCC1CCC(=C(F)Br)CC1 ZINC000685948013 538889754 /nfs/dbraw/zinc/88/97/54/538889754.db2.gz WTNGOBOJPJOXLH-UHFFFAOYSA-N 0 0 221.113 4.163 10 0 BIAERN O=Cc1sccc1-c1ccc2sccc2c1 ZINC000685948194 538890537 /nfs/dbraw/zinc/89/05/37/538890537.db2.gz AAZFQOCRULTMKU-UHFFFAOYSA-N 0 0 244.340 4.442 10 0 BIAERN O=Cc1cc(-c2ccc3sccc3c2)cs1 ZINC000685948223 538890614 /nfs/dbraw/zinc/89/06/14/538890614.db2.gz BGTNHYGEQJJQFX-UHFFFAOYSA-N 0 0 244.340 4.442 10 0 BIAERN CC(C)C1CCC(c2cccc(N)c2)CC1 ZINC000685949423 538892357 /nfs/dbraw/zinc/89/23/57/538892357.db2.gz QZOSGVUQXUJJOO-UHFFFAOYSA-N 0 0 217.356 4.199 10 0 BIAERN C[C@H]1C[C@H](c2cccc(N)c2)CC(C)(C)C1 ZINC000685949533 538892949 /nfs/dbraw/zinc/89/29/49/538892949.db2.gz TXDOZFDIULPELT-AAEUAGOBSA-N 0 0 217.356 4.199 10 0 BIAERN C[C@@H]1C[C@@H](c2cccc(N)c2)CC(C)(C)C1 ZINC000685949536 538892809 /nfs/dbraw/zinc/89/28/09/538892809.db2.gz TXDOZFDIULPELT-DGCLKSJQSA-N 0 0 217.356 4.199 10 0 BIAERN C[C@H]1C[C@@H](c2cccc(N)c2)CC(C)(C)C1 ZINC000685949538 538893104 /nfs/dbraw/zinc/89/31/04/538893104.db2.gz TXDOZFDIULPELT-WCQYABFASA-N 0 0 217.356 4.199 10 0 BIAERN C[C@@H]1C[C@H](c2cccc(N)c2)CC(C)(C)C1 ZINC000685949540 538893088 /nfs/dbraw/zinc/89/30/88/538893088.db2.gz TXDOZFDIULPELT-YPMHNXCESA-N 0 0 217.356 4.199 10 0 BIAERN CC[C@@H](C)c1nc2cc(Cl)ccc2cc1O ZINC000685963259 538908725 /nfs/dbraw/zinc/90/87/25/538908725.db2.gz KEDYQWSPOVETEG-MRVPVSSYSA-N 0 0 235.714 4.107 10 0 BIAERN CC[C@H](C)c1nc2cc(Cl)ccc2cc1O ZINC000685963260 538908797 /nfs/dbraw/zinc/90/87/97/538908797.db2.gz KEDYQWSPOVETEG-QMMMGPOBSA-N 0 0 235.714 4.107 10 0 BIAERN CC[C@@H](C)c1nc2c(Cl)cccc2cc1O ZINC000685963312 538910237 /nfs/dbraw/zinc/91/02/37/538910237.db2.gz LUOXWPRNXQRBPU-MRVPVSSYSA-N 0 0 235.714 4.107 10 0 BIAERN CC[C@H](C)c1nc2c(Cl)cccc2cc1O ZINC000685963313 538910149 /nfs/dbraw/zinc/91/01/49/538910149.db2.gz LUOXWPRNXQRBPU-QMMMGPOBSA-N 0 0 235.714 4.107 10 0 BIAERN CC[C@@H](C)c1nc2ccc(Cl)cc2cc1O ZINC000685963570 538910636 /nfs/dbraw/zinc/91/06/36/538910636.db2.gz SUBIUFCWWHTIIF-MRVPVSSYSA-N 0 0 235.714 4.107 10 0 BIAERN CC[C@H](C)c1nc2ccc(Cl)cc2cc1O ZINC000685963571 538910477 /nfs/dbraw/zinc/91/04/77/538910477.db2.gz SUBIUFCWWHTIIF-QMMMGPOBSA-N 0 0 235.714 4.107 10 0 BIAERN CC1(C)CCC[C@@H](/C=C/Br)C1 ZINC000685963611 538910509 /nfs/dbraw/zinc/91/05/09/538910509.db2.gz AHQFFSZWLDHWJK-IWGCBNPKSA-N 0 0 217.150 4.111 10 0 BIAERN CC1(C)CCC[C@H](/C=C/Br)C1 ZINC000685963612 538910358 /nfs/dbraw/zinc/91/03/58/538910358.db2.gz AHQFFSZWLDHWJK-VPIOIWJLSA-N 0 0 217.150 4.111 10 0 BIAERN CC[C@H](/C=C/Br)c1ccccc1 ZINC000685963677 538910428 /nfs/dbraw/zinc/91/04/28/538910428.db2.gz BUBZMHITLNXXHG-AAXQSMANSA-N 0 0 225.129 4.089 10 0 BIAERN CC[C@@H](/C=C/Br)c1ccccc1 ZINC000685963678 538910467 /nfs/dbraw/zinc/91/04/67/538910467.db2.gz BUBZMHITLNXXHG-DDXVTDLHSA-N 0 0 225.129 4.089 10 0 BIAERN CC[C@@H](C)c1nc2cccc(Cl)c2cc1O ZINC000685963798 566487822 /nfs/dbraw/zinc/48/78/22/566487822.db2.gz XETNYSYXMFIQQA-MRVPVSSYSA-N 0 0 235.714 4.107 10 0 BIAERN O=Cc1cccc(-c2ccc(C(F)F)cc2)c1 ZINC000701236789 712018585 /nfs/dbraw/zinc/01/85/85/712018585.db2.gz CFBKXZWJOOGGEZ-UHFFFAOYSA-N 0 0 232.229 4.104 10 0 BIAERN Fc1ncc(Cl)cc1-c1cccc(Cl)c1 ZINC000725241246 537978071 /nfs/dbraw/zinc/97/80/71/537978071.db2.gz GKIYCMWTVSRFDT-UHFFFAOYSA-N 0 0 242.080 4.195 10 0 BIAERN Fc1ncc(Cl)cc1-c1ccc(Cl)s1 ZINC000725241271 537979512 /nfs/dbraw/zinc/97/95/12/537979512.db2.gz IMYMOBRKNZQKCO-UHFFFAOYSA-N 0 0 248.109 4.256 10 0 BIAERN Cc1ccc(-c2cncn2C(C)C)cc1Cl ZINC000725245002 538001086 /nfs/dbraw/zinc/00/10/86/538001086.db2.gz CVJYJYWYHPHUDA-UHFFFAOYSA-N 0 0 234.730 4.093 10 0 BIAERN CCc1cc2ccccc2cc1Br ZINC000725245679 538003307 /nfs/dbraw/zinc/00/33/07/538003307.db2.gz FENWHACCBZSJAA-UHFFFAOYSA-N 0 0 235.124 4.165 10 0 BIAERN Cc1cnc(CSCC[Si](C)(C)C)s1 ZINC000725246299 538007360 /nfs/dbraw/zinc/00/73/60/538007360.db2.gz UARYLWIAAPOCJC-UHFFFAOYSA-N 0 0 245.489 4.023 10 0 BIAERN Cc1ncc(CSCC[Si](C)(C)C)s1 ZINC000725246335 538006067 /nfs/dbraw/zinc/00/60/67/538006067.db2.gz UOKHQGIUNLGDIE-UHFFFAOYSA-N 0 0 245.489 4.023 10 0 BIAERN C[Si](C)(C)CCSCc1cccc(F)c1 ZINC000725246452 538006757 /nfs/dbraw/zinc/00/67/57/538006757.db2.gz WTZKZDUKNDXBGF-UHFFFAOYSA-N 0 0 242.435 4.397 10 0 BIAERN Cc1nc(CSCC[Si](C)(C)C)cs1 ZINC000725246477 538006642 /nfs/dbraw/zinc/00/66/42/538006642.db2.gz XDNSFTNOTNWWPL-UHFFFAOYSA-N 0 0 245.489 4.023 10 0 BIAERN CCCc1cc2ccccc2cc1Cl ZINC000725246729 538008673 /nfs/dbraw/zinc/00/86/73/538008673.db2.gz UMWXMJSTKGAXAT-UHFFFAOYSA-N 0 0 204.700 4.446 10 0 BIAERN Clc1ccc2c(c1)ncn2C1CCCCC1 ZINC000725253300 538036217 /nfs/dbraw/zinc/03/62/17/538036217.db2.gz BOUNHKUWPFEACD-UHFFFAOYSA-N 0 0 234.730 4.195 10 0 BIAERN Clc1ccc2ncn(C3CCCCC3)c2c1 ZINC000725253605 538037970 /nfs/dbraw/zinc/03/79/70/538037970.db2.gz UAEGLIARIRYXLJ-UHFFFAOYSA-N 0 0 234.730 4.195 10 0 BIAERN Cc1ccc(-c2cc3ccc(F)cc3[nH]2)cc1 ZINC000725254504 539026807 /nfs/dbraw/zinc/02/68/07/539026807.db2.gz GPHXXQPMSNSEIA-UHFFFAOYSA-N 0 0 225.266 4.282 10 0 BIAERN F/C(=C/c1ccc(Cl)cc1)C(F)(F)F ZINC000725254920 541331958 /nfs/dbraw/zinc/33/19/58/541331958.db2.gz KETVUXUPCITFRT-VMPITWQZSA-N 0 0 224.584 4.213 10 0 BIAERN C[C@@H]1CC[C@H](C(C)(C)Br)C[C@H]1C ZINC000725261269 538086737 /nfs/dbraw/zinc/08/67/37/538086737.db2.gz AKNCBTYNFKTAIU-BBBLOLIVSA-N 0 0 233.193 4.232 10 0 BIAERN C[C@@H]1CC[C@@H](C(C)(C)Br)C[C@@H]1C ZINC000725261270 538087138 /nfs/dbraw/zinc/08/71/38/538087138.db2.gz AKNCBTYNFKTAIU-KXUCPTDWSA-N 0 0 233.193 4.232 10 0 BIAERN C[C@@H]1CC[C@@H](C(C)(C)Br)C[C@H]1C ZINC000725261271 538086663 /nfs/dbraw/zinc/08/66/63/538086663.db2.gz AKNCBTYNFKTAIU-OPRDCNLKSA-N 0 0 233.193 4.232 10 0 BIAERN C[C@@H]1CC[C@H](C(C)(C)Br)C[C@@H]1C ZINC000725261272 538086823 /nfs/dbraw/zinc/08/68/23/538086823.db2.gz AKNCBTYNFKTAIU-UTLUCORTSA-N 0 0 233.193 4.232 10 0 BIAERN CC(C)(Br)C1CCC(C)(C)CC1 ZINC000725261289 538086093 /nfs/dbraw/zinc/08/60/93/538086093.db2.gz CWQYPHWLOHBWBT-UHFFFAOYSA-N 0 0 233.193 4.376 10 0 BIAERN CC(C)C1CCC(C(C)(C)Cl)CC1 ZINC000725261301 538086876 /nfs/dbraw/zinc/08/68/76/538086876.db2.gz DREZGYRSKZFAQU-UHFFFAOYSA-N 0 0 202.769 4.466 10 0 BIAERN CC(C)(Br)[C@@H]1CCCC(C)(C)C1 ZINC000725261318 538086481 /nfs/dbraw/zinc/08/64/81/538086481.db2.gz GMZZKOIIIDRPIX-SECBINFHSA-N 0 0 233.193 4.376 10 0 BIAERN CC(C)(Br)[C@H]1CCCC(C)(C)C1 ZINC000725261319 538087089 /nfs/dbraw/zinc/08/70/89/538087089.db2.gz GMZZKOIIIDRPIX-VIFPVBQESA-N 0 0 233.193 4.376 10 0 BIAERN C[C@@H]1C[C@@H](C(C)(C)Cl)CC(C)(C)C1 ZINC000725261337 538086803 /nfs/dbraw/zinc/08/68/03/538086803.db2.gz ILLVZIAARMRHHR-NXEZZACHSA-N 0 0 202.769 4.466 10 0 BIAERN C[C@H]1C[C@H](C(C)(C)Cl)CC(C)(C)C1 ZINC000725261338 538086547 /nfs/dbraw/zinc/08/65/47/538086547.db2.gz ILLVZIAARMRHHR-UWVGGRQHSA-N 0 0 202.769 4.466 10 0 BIAERN C[C@H]1C[C@@H](C(C)(C)Cl)CC(C)(C)C1 ZINC000725261339 538086799 /nfs/dbraw/zinc/08/67/99/538086799.db2.gz ILLVZIAARMRHHR-VHSXEESVSA-N 0 0 202.769 4.466 10 0 BIAERN C[C@@H]1C[C@H](C(C)(C)Cl)CC(C)(C)C1 ZINC000725261340 538086902 /nfs/dbraw/zinc/08/69/02/538086902.db2.gz ILLVZIAARMRHHR-ZJUUUORDSA-N 0 0 202.769 4.466 10 0 BIAERN C[C@@H]1CC(C(C)(C)Br)C[C@@H](C)C1 ZINC000725261474 538087052 /nfs/dbraw/zinc/08/70/52/538087052.db2.gz RQSBDZNMDJOVBT-IUCAKERBSA-N 0 0 233.193 4.232 10 0 BIAERN C[C@H]1C[C@H](C(C)(C)Br)C[C@@H](C)C1 ZINC000725261475 538086971 /nfs/dbraw/zinc/08/69/71/538086971.db2.gz RQSBDZNMDJOVBT-MYJAWHEDSA-N 0 0 233.193 4.232 10 0 BIAERN C[C@H]1CC(C(C)(C)Br)C[C@H](C)C1 ZINC000725261476 538086643 /nfs/dbraw/zinc/08/66/43/538086643.db2.gz RQSBDZNMDJOVBT-RKDXNWHRSA-N 0 0 233.193 4.232 10 0 BIAERN CCC1CCC(C(C)(C)Br)CC1 ZINC000725261524 538086586 /nfs/dbraw/zinc/08/65/86/538086586.db2.gz YLXSJKXCMMUNMW-UHFFFAOYSA-N 0 0 233.193 4.376 10 0 BIAERN CC(C)(Cl)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000725261537 538087316 /nfs/dbraw/zinc/08/73/16/538087316.db2.gz ZBQOHHVWGYKYPM-HTQZYQBOSA-N 0 0 228.685 4.373 10 0 BIAERN CC(C)(Cl)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000725261538 538086595 /nfs/dbraw/zinc/08/65/95/538086595.db2.gz ZBQOHHVWGYKYPM-JGVFFNPUSA-N 0 0 228.685 4.373 10 0 BIAERN CC(C)(Cl)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000725261539 538086992 /nfs/dbraw/zinc/08/69/92/538086992.db2.gz ZBQOHHVWGYKYPM-SFYZADRCSA-N 0 0 228.685 4.373 10 0 BIAERN CC(C)(Cl)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000725261540 538086661 /nfs/dbraw/zinc/08/66/61/538086661.db2.gz ZBQOHHVWGYKYPM-YUMQZZPRSA-N 0 0 228.685 4.373 10 0 BIAERN O=Cc1ccc(-c2cccc3occc32)cc1F ZINC000725263279 538089048 /nfs/dbraw/zinc/08/90/48/538089048.db2.gz DPYQKUXNIFMPSI-UHFFFAOYSA-N 0 0 240.233 4.051 10 0 BIAERN Cc1cc(C=O)ccc1-c1cccc2occc21 ZINC000725263372 541336282 /nfs/dbraw/zinc/33/62/82/541336282.db2.gz UDQYLFYRUHOJPQ-UHFFFAOYSA-N 0 0 236.270 4.221 10 0 BIAERN O=Cc1cccc(-c2cccc3occc32)c1F ZINC000725263374 566308593 /nfs/dbraw/zinc/30/85/93/566308593.db2.gz UJFZJDOFCWLIRM-UHFFFAOYSA-N 0 0 240.233 4.051 10 0 BIAERN O=Cc1cc(F)ccc1-c1cccc2occc21 ZINC000725263385 566308709 /nfs/dbraw/zinc/30/87/09/566308709.db2.gz XAVXEKCFISUCLW-UHFFFAOYSA-N 0 0 240.233 4.051 10 0 BIAERN O=Cc1ccc(F)c(-c2cccc3occc32)c1 ZINC000725263405 541336695 /nfs/dbraw/zinc/33/66/95/541336695.db2.gz ZTHONJDYLPKGSF-UHFFFAOYSA-N 0 0 240.233 4.051 10 0 BIAERN Fc1cc(F)cc(-c2ccc([C@@H]3CCO3)cc2)c1 ZINC000725265106 538092704 /nfs/dbraw/zinc/09/27/04/538092704.db2.gz FTDSMPKYXCSSJC-HNNXBMFYSA-N 0 0 246.256 4.093 10 0 BIAERN Fc1cc(F)cc(-c2ccc([C@H]3CCO3)cc2)c1 ZINC000725265107 538092922 /nfs/dbraw/zinc/09/29/22/538092922.db2.gz FTDSMPKYXCSSJC-OAHLLOKOSA-N 0 0 246.256 4.093 10 0 BIAERN Fc1cccc(-c2ccc([C@@H]3CCO3)cc2)c1F ZINC000725265136 538092687 /nfs/dbraw/zinc/09/26/87/538092687.db2.gz ITRRJQLSTDHLAM-AWEZNQCLSA-N 0 0 246.256 4.093 10 0 BIAERN Fc1cccc(-c2ccc([C@H]3CCO3)cc2)c1F ZINC000725265137 538092641 /nfs/dbraw/zinc/09/26/41/538092641.db2.gz ITRRJQLSTDHLAM-CQSZACIVSA-N 0 0 246.256 4.093 10 0 BIAERN Fc1ccc(F)c(-c2ccc([C@@H]3CCO3)cc2)c1 ZINC000725265179 538091343 /nfs/dbraw/zinc/09/13/43/538091343.db2.gz MDWHTZVNNFSOLO-HNNXBMFYSA-N 0 0 246.256 4.093 10 0 BIAERN Fc1ccc(F)c(-c2ccc([C@H]3CCO3)cc2)c1 ZINC000725265180 538091357 /nfs/dbraw/zinc/09/13/57/538091357.db2.gz MDWHTZVNNFSOLO-OAHLLOKOSA-N 0 0 246.256 4.093 10 0 BIAERN Fc1ccc(-c2ccc([C@@H]3CCO3)cc2)c(F)c1 ZINC000725265289 538091480 /nfs/dbraw/zinc/09/14/80/538091480.db2.gz XQHLSBDQDPJDHN-HNNXBMFYSA-N 0 0 246.256 4.093 10 0 BIAERN Fc1ccc(-c2ccc([C@H]3CCO3)cc2)c(F)c1 ZINC000725265290 538091412 /nfs/dbraw/zinc/09/14/12/538091412.db2.gz XQHLSBDQDPJDHN-OAHLLOKOSA-N 0 0 246.256 4.093 10 0 BIAERN Fc1ccc(-c2ccc([C@@H]3CCO3)cc2)cc1F ZINC000725265297 538091668 /nfs/dbraw/zinc/09/16/68/538091668.db2.gz YLXWLIMNKQWPJL-HNNXBMFYSA-N 0 0 246.256 4.093 10 0 BIAERN Fc1ccc(-c2ccc([C@H]3CCO3)cc2)cc1F ZINC000725265298 538091957 /nfs/dbraw/zinc/09/19/57/538091957.db2.gz YLXWLIMNKQWPJL-OAHLLOKOSA-N 0 0 246.256 4.093 10 0 BIAERN CCCCc1n[nH]c2c1C[C@H](C(C)(C)CC)CC2 ZINC000725265617 538092937 /nfs/dbraw/zinc/09/29/37/538092937.db2.gz OFSXOTBPLNCLJN-GFCCVEGCSA-N 0 0 248.414 4.293 10 0 BIAERN CCCCc1n[nH]c2c1C[C@@H](C(C)(C)CC)CC2 ZINC000725265618 538092823 /nfs/dbraw/zinc/09/28/23/538092823.db2.gz OFSXOTBPLNCLJN-LBPRGKRZSA-N 0 0 248.414 4.293 10 0 BIAERN CC(C)(C)Cc1nc2cc(Cl)ccc2cc1O ZINC000725267349 538098099 /nfs/dbraw/zinc/09/80/99/538098099.db2.gz ACMIAYNBFNKRRS-UHFFFAOYSA-N 0 0 249.741 4.182 10 0 BIAERN CC(C)(C)Cc1nc2cccc(Cl)c2cc1O ZINC000725267394 538098501 /nfs/dbraw/zinc/09/85/01/538098501.db2.gz DBCAFCKFNJGMIQ-UHFFFAOYSA-N 0 0 249.741 4.182 10 0 BIAERN CCc1ccc2nc(C(C)(C)CC)c(O)cc2c1 ZINC000725267412 538098156 /nfs/dbraw/zinc/09/81/56/538098156.db2.gz DVVNLOAOHFFJRV-UHFFFAOYSA-N 0 0 243.350 4.190 10 0 BIAERN Oc1cc2c(Cl)cccc2nc1C1CCCC1 ZINC000725267413 538098432 /nfs/dbraw/zinc/09/84/32/538098432.db2.gz FDNBMSUGPOYQOU-UHFFFAOYSA-N 0 0 247.725 4.251 10 0 BIAERN CCc1cccc2cc(O)c(CC(C)(C)C)nc21 ZINC000725267425 538098212 /nfs/dbraw/zinc/09/82/12/538098212.db2.gz GGYFIYSEZHNHJM-UHFFFAOYSA-N 0 0 243.350 4.091 10 0 BIAERN CC(C)c1nc2ccc(C(C)(C)C)cc2cc1O ZINC000725267428 538098472 /nfs/dbraw/zinc/09/84/72/538098472.db2.gz GJLZWCAJZYDOPU-UHFFFAOYSA-N 0 0 243.350 4.361 10 0 BIAERN CCc1cccc2cc(O)c(C3CCCC3)nc21 ZINC000725267433 538098260 /nfs/dbraw/zinc/09/82/60/538098260.db2.gz GUHHAFTVDRXHSV-UHFFFAOYSA-N 0 0 241.334 4.160 10 0 BIAERN CCc1ccc2nc(CC(C)(C)C)c(O)cc2c1 ZINC000725267444 538098545 /nfs/dbraw/zinc/09/85/45/538098545.db2.gz HLSDHVBISARCKQ-UHFFFAOYSA-N 0 0 243.350 4.091 10 0 BIAERN CCC(C)(C)c1nc2ccc(Cl)cc2cc1O ZINC000725267447 538098410 /nfs/dbraw/zinc/09/84/10/538098410.db2.gz HUGLJQXTSBIDHA-UHFFFAOYSA-N 0 0 249.741 4.281 10 0 BIAERN Oc1cc2cc(Cl)ccc2nc1C1CCCC1 ZINC000725267456 538098526 /nfs/dbraw/zinc/09/85/26/538098526.db2.gz IHNNCTHNFSIZTG-UHFFFAOYSA-N 0 0 247.725 4.251 10 0 BIAERN CCC(C)(C)c1nc2c(Cl)cccc2cc1O ZINC000725267470 538098509 /nfs/dbraw/zinc/09/85/09/538098509.db2.gz JENLXDVEZNQGKI-UHFFFAOYSA-N 0 0 249.741 4.281 10 0 BIAERN Oc1cc2cc(F)ccc2nc1C1CCCCC1 ZINC000725267488 538097585 /nfs/dbraw/zinc/09/75/85/538097585.db2.gz KSVSFTWXLMLGPE-UHFFFAOYSA-N 0 0 245.297 4.127 10 0 BIAERN CC(C)(C)Cc1nc2c(Cl)cccc2cc1O ZINC000725267531 538098792 /nfs/dbraw/zinc/09/87/92/538098792.db2.gz NQZGVCJRWACWLE-UHFFFAOYSA-N 0 0 249.741 4.182 10 0 BIAERN Cc1ccc2nc(C3CCCCC3)c(O)cc2c1 ZINC000725267538 538099216 /nfs/dbraw/zinc/09/92/16/538099216.db2.gz OAEXXLNKCYTCSM-UHFFFAOYSA-N 0 0 241.334 4.297 10 0 BIAERN CCCc1nc2ccc(C(C)(C)C)cc2cc1O ZINC000725267666 538098398 /nfs/dbraw/zinc/09/83/98/538098398.db2.gz QLJYAQCHQFONEZ-UHFFFAOYSA-N 0 0 243.350 4.190 10 0 BIAERN Oc1cc2cccc(Cl)c2nc1C1CCCC1 ZINC000725267675 538099194 /nfs/dbraw/zinc/09/91/94/538099194.db2.gz QPZAVZARJHNTNO-UHFFFAOYSA-N 0 0 247.725 4.251 10 0 BIAERN CCc1cccc2cc(O)c(C(C)(C)CC)nc21 ZINC000725267688 538099215 /nfs/dbraw/zinc/09/92/15/538099215.db2.gz SBLYVBYLSNGNHB-UHFFFAOYSA-N 0 0 243.350 4.190 10 0 BIAERN Oc1cc2ccc(Cl)cc2nc1C1CCCC1 ZINC000725267694 538098813 /nfs/dbraw/zinc/09/88/13/538098813.db2.gz SJXGAUPQPDQLBV-UHFFFAOYSA-N 0 0 247.725 4.251 10 0 BIAERN Cc1cccc2cc(O)c(C3CCCCC3)nc12 ZINC000725267697 538099087 /nfs/dbraw/zinc/09/90/87/538099087.db2.gz SKCMLWHILKJOGL-UHFFFAOYSA-N 0 0 241.334 4.297 10 0 BIAERN CCC(C)(C)c1nc2cc(Cl)ccc2cc1O ZINC000725267711 538099712 /nfs/dbraw/zinc/09/97/12/538099712.db2.gz SZNMURVXZQZBSM-UHFFFAOYSA-N 0 0 249.741 4.281 10 0 BIAERN CC(C)(C)c1ccc2nc(C3CC3)c(O)cc2c1 ZINC000725267722 538099391 /nfs/dbraw/zinc/09/93/91/538099391.db2.gz UEVHHUALMCPUKW-UHFFFAOYSA-N 0 0 241.334 4.115 10 0 BIAERN Oc1cc2ccc(F)cc2nc1C1CCCCC1 ZINC000725267741 538098986 /nfs/dbraw/zinc/09/89/86/538098986.db2.gz UWHYPNAQXPWPDU-UHFFFAOYSA-N 0 0 245.297 4.127 10 0 BIAERN CCC(C)(C)c1nc2cccc(Cl)c2cc1O ZINC000725267758 538099282 /nfs/dbraw/zinc/09/92/82/538099282.db2.gz WIAMWSUOYXGBDK-UHFFFAOYSA-N 0 0 249.741 4.281 10 0 BIAERN CCc1ccc2nc([C@@H](C)CC)c(O)cc2c1 ZINC000725267762 538099007 /nfs/dbraw/zinc/09/90/07/538099007.db2.gz WPIGWEVSZHNOKC-JTQLQIEISA-N 0 0 229.323 4.016 10 0 BIAERN CCc1ccc2nc([C@H](C)CC)c(O)cc2c1 ZINC000725267763 538099019 /nfs/dbraw/zinc/09/90/19/538099019.db2.gz WPIGWEVSZHNOKC-SNVBAGLBSA-N 0 0 229.323 4.016 10 0 BIAERN CC(C)(C)Cc1nc2ccc(Cl)cc2cc1O ZINC000725267781 538098867 /nfs/dbraw/zinc/09/88/67/538098867.db2.gz XXVRWSMDSBVOML-UHFFFAOYSA-N 0 0 249.741 4.182 10 0 BIAERN Oc1cc2cccc(F)c2nc1C1CCCCC1 ZINC000725267783 538099029 /nfs/dbraw/zinc/09/90/29/538099029.db2.gz XYRDYSOEWOXPSY-UHFFFAOYSA-N 0 0 245.297 4.127 10 0 BIAERN CCc1cccc2cc(O)c([C@@H](C)CC)nc21 ZINC000725267798 538098890 /nfs/dbraw/zinc/09/88/90/538098890.db2.gz ZBAYVLCYZFOVCP-JTQLQIEISA-N 0 0 229.323 4.016 10 0 BIAERN CCc1cccc2cc(O)c([C@H](C)CC)nc21 ZINC000725267799 538098919 /nfs/dbraw/zinc/09/89/19/538098919.db2.gz ZBAYVLCYZFOVCP-SNVBAGLBSA-N 0 0 229.323 4.016 10 0 BIAERN CCc1ccc2nc(C3CCCC3)c(O)cc2c1 ZINC000725267820 538098994 /nfs/dbraw/zinc/09/89/94/538098994.db2.gz ZZHJSDURWAYWIL-UHFFFAOYSA-N 0 0 241.334 4.160 10 0 BIAERN Cc1ccc(-c2cnc(Cl)c(C)c2)c(C)c1 ZINC000725270088 538101929 /nfs/dbraw/zinc/10/19/29/538101929.db2.gz FKUNKFKDRXGUIM-UHFFFAOYSA-N 0 0 231.726 4.327 10 0 BIAERN CSC[C@@H](C)Nc1cccc2ccsc21 ZINC000757123912 582498905 /nfs/dbraw/zinc/49/89/05/582498905.db2.gz AZIWVNKEQXUDRH-SECBINFHSA-N 0 0 237.393 4.065 10 0 BIAERN CSC[C@H](C)Nc1cccc2ccsc21 ZINC000757123937 582498634 /nfs/dbraw/zinc/49/86/34/582498634.db2.gz AZIWVNKEQXUDRH-VIFPVBQESA-N 0 0 237.393 4.065 10 0 BIAERN CCCCCCNc1ccc2c(ccn2C)c1 ZINC000757132929 582508204 /nfs/dbraw/zinc/50/82/04/582508204.db2.gz SDCRZFROOPXMDR-UHFFFAOYSA-N 0 0 230.355 4.171 10 0 BIAERN Cc1cccc(CNc2cc3ccccc3[nH]2)c1 ZINC000757135048 582513703 /nfs/dbraw/zinc/51/37/03/582513703.db2.gz BUMKMXHAJUMPJT-UHFFFAOYSA-N 0 0 236.318 4.088 10 0 BIAERN Cc1ccccc1CNc1cc2ccccc2[nH]1 ZINC000757135127 586426897 /nfs/dbraw/zinc/42/68/97/586426897.db2.gz CZNCBQSCYVHDRO-UHFFFAOYSA-N 0 0 236.318 4.088 10 0 BIAERN Cc1ccc(CNc2cc3ccccc3[nH]2)cc1 ZINC000757137258 586427256 /nfs/dbraw/zinc/42/72/56/586427256.db2.gz YNNVGYHCXSQXIX-UHFFFAOYSA-N 0 0 236.318 4.088 10 0 BIAERN Cc1cc(CNc2ccsc2)ccc1Cl ZINC000757154441 586430145 /nfs/dbraw/zinc/43/01/45/586430145.db2.gz ZEMJLTPXHOWYMQ-UHFFFAOYSA-N 0 0 237.755 4.322 10 0 BIAERN CC(C)c1ccc2c(c1)C1(CCC1)CCC2=O ZINC000757185449 582554681 /nfs/dbraw/zinc/55/46/81/582554681.db2.gz AJERVJNPEHBDKL-UHFFFAOYSA-N 0 0 228.335 4.208 10 0 BIAERN CCOc1ccc2c(c1)C(CC)(CC)CCC2=O ZINC000757185572 586433928 /nfs/dbraw/zinc/43/39/28/586433928.db2.gz BIVNCWUFRQEUET-UHFFFAOYSA-N 0 0 246.350 4.120 10 0 BIAERN CCc1ccc2c(c1)C1(CCCCC1)CCC2=O ZINC000757186382 586434527 /nfs/dbraw/zinc/43/45/27/586434527.db2.gz HMTIQXOUOGKCEK-UHFFFAOYSA-N 0 0 242.362 4.427 10 0 BIAERN O=Cc1cc(-c2ccccc2)ccc1C(F)F ZINC000757186468 586434762 /nfs/dbraw/zinc/43/47/62/586434762.db2.gz HYLBESLJWVSBDC-UHFFFAOYSA-N 0 0 232.229 4.104 10 0 BIAERN CCC1(CC)CCC(=O)c2c(Cl)cccc21 ZINC000757186481 586434726 /nfs/dbraw/zinc/43/47/26/586434726.db2.gz ICQGUVUYDARFPV-UHFFFAOYSA-N 0 0 236.742 4.374 10 0 BIAERN CCC1(CC)CCC(=O)c2c(C)cccc21 ZINC000757186593 582555367 /nfs/dbraw/zinc/55/53/67/582555367.db2.gz JFLZBWZGPIEOQA-UHFFFAOYSA-N 0 0 216.324 4.029 10 0 BIAERN O=C1CCC2(CCCCC2)c2cccc(F)c21 ZINC000757187985 586435169 /nfs/dbraw/zinc/43/51/69/586435169.db2.gz LPNQWNLRJQXYIE-UHFFFAOYSA-N 0 0 232.298 4.004 10 0 BIAERN Cc1cc(F)cc2c1C(=O)CCC21CCCCC1 ZINC000757188088 586435155 /nfs/dbraw/zinc/43/51/55/586435155.db2.gz MGIJNPNYOGUEGE-UHFFFAOYSA-N 0 0 246.325 4.313 10 0 BIAERN Cc1ccc2c(c1)C1(CCCCC1)CCC2=O ZINC000757188113 582555212 /nfs/dbraw/zinc/55/52/12/582555212.db2.gz MJLULVMUDCHARV-UHFFFAOYSA-N 0 0 228.335 4.173 10 0 BIAERN O=C1CCC2(CCCCC2)c2cc(F)ccc21 ZINC000757188854 586434986 /nfs/dbraw/zinc/43/49/86/586434986.db2.gz ONPTXGKYUIIOQR-UHFFFAOYSA-N 0 0 232.298 4.004 10 0 BIAERN CCC1(CC)CCC(=O)c2c(C)cc(F)cc21 ZINC000757189362 586435073 /nfs/dbraw/zinc/43/50/73/586435073.db2.gz QMONANJKLMQPBG-UHFFFAOYSA-N 0 0 234.314 4.168 10 0 BIAERN O=C1CCC2(CCCC2)c2cc(Cl)ccc21 ZINC000757189562 582555778 /nfs/dbraw/zinc/55/57/78/582555778.db2.gz RJCJBWATMYYPJZ-UHFFFAOYSA-N 0 0 234.726 4.128 10 0 BIAERN Cc1cccc2c1C(=O)CCC21CCCCC1 ZINC000757189618 582555941 /nfs/dbraw/zinc/55/59/41/582555941.db2.gz RZFFEBXWRXZOBT-UHFFFAOYSA-N 0 0 228.335 4.173 10 0 BIAERN CCc1ccc2c(c1)C1(CCCC1)CCC2=O ZINC000757190102 643361128 /nfs/dbraw/zinc/36/11/28/643361128.db2.gz UACXJCCFZGZXFQ-UHFFFAOYSA-N 0 0 228.335 4.037 10 0 BIAERN CCC1(CC)CCC(=O)c2ccc(Cl)cc21 ZINC000757190116 582555908 /nfs/dbraw/zinc/55/59/08/582555908.db2.gz UBXWGFYRSHUCTO-UHFFFAOYSA-N 0 0 236.742 4.374 10 0 BIAERN O=C1CCC2(CCCC2)c2cccc(Cl)c21 ZINC000757190127 582555906 /nfs/dbraw/zinc/55/59/06/582555906.db2.gz UCMSPEKIBSKDRB-UHFFFAOYSA-N 0 0 234.726 4.128 10 0 BIAERN CCC1(CC)CCC(=O)c2ccc(C)cc21 ZINC000757190460 586435640 /nfs/dbraw/zinc/43/56/40/586435640.db2.gz XFVRGTGSBGLMJR-UHFFFAOYSA-N 0 0 216.324 4.029 10 0 BIAERN CC1(C)CC2(CCC[C@@H]2CO)CC(C)(C)C1 ZINC000757195189 582558103 /nfs/dbraw/zinc/55/81/03/582558103.db2.gz HISQHWXMQLSUHW-GFCCVEGCSA-N 0 0 224.388 4.002 10 0 BIAERN CC1(C)CC2(CCC[C@H]2CO)CC(C)(C)C1 ZINC000757195190 582557951 /nfs/dbraw/zinc/55/79/51/582557951.db2.gz HISQHWXMQLSUHW-LBPRGKRZSA-N 0 0 224.388 4.002 10 0 BIAERN CCOc1cccc(-c2ccc(C)cc2)c1F ZINC000757565480 586271033 /nfs/dbraw/zinc/27/10/33/586271033.db2.gz FDFVRHYYOVHNRA-UHFFFAOYSA-N 0 0 230.282 4.200 10 0 BIAERN CCOc1cccc(-c2cccc(C)c2)c1F ZINC000757565538 586461249 /nfs/dbraw/zinc/46/12/49/586461249.db2.gz FNGIOMFUIZFTML-UHFFFAOYSA-N 0 0 230.282 4.200 10 0 BIAERN CCOc1cccc(-c2csc(C)c2)c1F ZINC000757565578 586461228 /nfs/dbraw/zinc/46/12/28/586461228.db2.gz GDLCZVSOZQAWGX-UHFFFAOYSA-N 0 0 236.311 4.261 10 0 BIAERN CC1(c2ccc(-c3ccc(C=O)cc3)cc2)CC1 ZINC000757566018 586305005 /nfs/dbraw/zinc/30/50/05/586305005.db2.gz DGXGCHPIORDJDR-UHFFFAOYSA-N 0 0 236.314 4.218 10 0 BIAERN CCOc1cccc(C(C)=C(C)C)c1F ZINC000757566096 586306443 /nfs/dbraw/zinc/30/64/43/586306443.db2.gz KGCLXPKJWSQWNN-UHFFFAOYSA-N 0 0 208.276 4.038 10 0 BIAERN Cc1cccc(-c2ccc(C)cc2F)c1 ZINC000757566498 586461473 /nfs/dbraw/zinc/46/14/73/586461473.db2.gz JJHODWYEKWZUDR-UHFFFAOYSA-N 0 0 200.256 4.110 10 0 BIAERN Cc1ccc(-c2ccc(C3(C)CC3)cc2)cc1N ZINC000757566568 586461501 /nfs/dbraw/zinc/46/15/01/586461501.db2.gz GFOBPSQVUBBQFK-UHFFFAOYSA-N 0 0 237.346 4.296 10 0 BIAERN CC1(c2ccc(-c3ccc(C=O)s3)cc2)CC1 ZINC000757566818 586461823 /nfs/dbraw/zinc/46/18/23/586461823.db2.gz GMLQYZVKVHXZHT-UHFFFAOYSA-N 0 0 242.343 4.279 10 0 BIAERN CC1(c2ccc(-c3ccccc3C=O)cc2)CC1 ZINC000757566949 586306137 /nfs/dbraw/zinc/30/61/37/586306137.db2.gz HJUDNODMKNBFCN-UHFFFAOYSA-N 0 0 236.314 4.218 10 0 BIAERN CCOc1cc(F)ccc1-c1csc(C)c1 ZINC000757567389 586461465 /nfs/dbraw/zinc/46/14/65/586461465.db2.gz RBRIWRYLZDEKQL-UHFFFAOYSA-N 0 0 236.311 4.261 10 0 BIAERN Cc1cc(-c2ccc(C)cc2F)cs1 ZINC000757567500 586462012 /nfs/dbraw/zinc/46/20/12/586462012.db2.gz ULXVUANFCNJAGX-UHFFFAOYSA-N 0 0 206.285 4.171 10 0 BIAERN CC(C)=C(C)c1cc(Br)ccc1F ZINC000757567781 586461988 /nfs/dbraw/zinc/46/19/88/586461988.db2.gz PXRZBWABSAJZRL-UHFFFAOYSA-N 0 0 243.119 4.402 10 0 BIAERN CC1(c2ccc(-c3cccc(C=O)c3)cc2)CC1 ZINC000757568042 586462078 /nfs/dbraw/zinc/46/20/78/586462078.db2.gz KOUDKNQXFRLDPI-UHFFFAOYSA-N 0 0 236.314 4.218 10 0 BIAERN CC1(c2ccc(-c3csc(C=O)c3)cc2)CC1 ZINC000757568473 586462018 /nfs/dbraw/zinc/46/20/18/586462018.db2.gz MQIWEZJCQKDQSB-UHFFFAOYSA-N 0 0 242.343 4.279 10 0 BIAERN CCOc1cc(F)ccc1C(C)=C(C)C ZINC000757571053 586462373 /nfs/dbraw/zinc/46/23/73/586462373.db2.gz IXEYKUJKVLUDGF-UHFFFAOYSA-N 0 0 208.276 4.038 10 0 BIAERN Cc1ccc(-c2cccc3cc[nH]c32)c2c1NCC2 ZINC000757572287 586463188 /nfs/dbraw/zinc/46/31/88/586463188.db2.gz QGXCWOATYRZBET-UHFFFAOYSA-N 0 0 248.329 4.111 10 0 BIAERN Cc1ccc(-c2ccc(C)c3c2CCN3)c(F)c1 ZINC000757572682 586462970 /nfs/dbraw/zinc/46/29/70/586462970.db2.gz SRSJQFVRNUELKA-UHFFFAOYSA-N 0 0 241.309 4.078 10 0 BIAERN